matminer获取数据

materials project

matminer.data_retrieval.retrieve_MP.MPDataRetrieval获取materials project数据

from matminer.data_retrieval.retrieve_MP import MPDataRetrieval
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mpdr=MPDataRetrieval(api_key='')
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#得到所有元素材料的密度，例如那些包含一个元素的材料
df=mpdr.get_dataframe(criteria={'nelements':1},
                      properties=['density','pretty_formula'])
print('there are %d enties on  MP with 1 element'%(df['density'].count()))
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  0%|          | 0/716 [00:00<?, ?it/s]


there are 716 enties on  MP with 1 element
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获取大于4.0 eV 的所有带隙

带隙是 band_gap，大于4怎么写呢？ 是 greater than, 缩写成 gt. 在 matminer中要写成 $gt

df=mpdr.get_dataframe({'band_gap':{'$gt':4.0}},['pretty_formula','band_gap'])
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  0%|          | 0/8285 [00:00<?, ?it/s]
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df.head()
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Get all VRH shear and bulk moduli from the “elasticity” sub-document for which no warnings are found

存在弹性常数信息用 “elasticity”: {“$exists”: True} 表示，没有警告信息用 一个空列表表示：“elasticity.warnings”: []

df=mpdr.get_dataframe({"elasticity":{"$exists":True}},
                     ['pretty_formula','elasticity.K_VRH','elasticity.G_VRH'])
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  0%|          | 0/13172 [00:00<?, ?it/s]
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df.head()
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除了上次的搜索条件外，我们想搜索包含 Pb 和 Te 的材料：“elements”: {“KaTeX parse error: Expected '}', got 'EOF' at end of input: …above_hull": {"lt”: 1e-6}

df=mpdr.get_dataframe(criteria={"elasticity":{'$exists':True},
                               'elasticity.warnings':[],
                               'elements':{'$all':['Pb','Te']},
                     'e_above_hull':{'$lt':1e-6}},
                     properties=['elasticity.K_VRH','elasticity.G_VRH',
                                'pretty_formula','e_above_hull','bandstructure',
                                'dos'])
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让我们来看看
这些稳定化合物的能带结构和状态密度，这些化合物包含 Pb 和 Te，这对热电学应用很有意思:

df.head()
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from pymatgen.electronic_structure.plotter import BSDOSPlotter
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E:\Anaconda\lib\site-packages\pymatgen\electronic_structure\boltztrap.py:58: FutureWarning: which is deprecated; use which in shutil instead.
shutil.which has been available since Python 3.3. This will be removed in v2023.
  which("x_trans"),
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mpid='mp-20740'
idx=df.index[df.index==mpid][0]
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import matplotlib.pyplot as plt
BSDOSPlotter().get_plot(bs=df.loc[mpid,'bandstructure'],dos=df.loc[mpid,'dos'])
plt.show()
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Citrine informatics

from matminer.data_retrieval.retrieve_Citrine import CitrineDataRetrieval
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cdr=CitrineDataRetrieval(api_key='')
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df=cdr.get_dataframe(criteria={'formula':'Si',
                              'data_type':'EXPERIMENTAL'},
                    properties=['Bnad gap'],
                    secondary_fields=True)
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0it [00:00, ?it/s]

all available fields:
[]

suggested common fields:
[]
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cdr.get_dataframe?
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得到 O * 和 OH * 的吸附能

df_OH=cdr.get_dataframe(criteria={},properties=['adsorption energy of OH'],
                      secondary_fields=True)
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  0%|                                                                                            | 0/9 [00:00<?, ?it/s]E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:123: FutureWarning: pandas.io.json.json_normalize is deprecated, use pandas.json_normalize instead.
  system_normdf = json_normalize(system_value)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:129: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  non_prop_df = non_prop_df.append(non_prop_row)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:167: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  prop_df = prop_df.append(p_df)
 11%|█████████▎                                                                          | 1/9 [00:00<00:01,  5.39it/s]E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:123: FutureWarning: pandas.io.json.json_normalize is deprecated, use pandas.json_normalize instead.
  system_normdf = json_normalize(system_value)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:129: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  non_prop_df = non_prop_df.append(non_prop_row)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:167: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  prop_df = prop_df.append(p_df)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:123: FutureWarning: pandas.io.json.json_normalize is deprecated, use pandas.json_normalize instead.
  system_normdf = json_normalize(system_value)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:129: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  non_prop_df = non_prop_df.append(non_prop_row)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:167: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  prop_df = prop_df.append(p_df)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:123: FutureWarning: pandas.io.json.json_normalize is deprecated, use pandas.json_normalize instead.
  system_normdf = json_normalize(system_value)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:129: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  non_prop_df = non_prop_df.append(non_prop_row)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:167: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  prop_df = prop_df.append(p_df)
 44%|█████████████████████████████████████▎                                              | 4/9 [00:00<00:00, 15.13it/s]E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:123: FutureWarning: pandas.io.json.json_normalize is deprecated, use pandas.json_normalize instead.
  system_normdf = json_normalize(system_value)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:129: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  non_prop_df = non_prop_df.append(non_prop_row)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:167: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  prop_df = prop_df.append(p_df)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:123: FutureWarning: pandas.io.json.json_normalize is deprecated, use pandas.json_normalize instead.
  system_normdf = json_normalize(system_value)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:129: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  non_prop_df = non_prop_df.append(non_prop_row)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:167: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  prop_df = prop_df.append(p_df)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:123: FutureWarning: pandas.io.json.json_normalize is deprecated, use pandas.json_normalize instead.
  system_normdf = json_normalize(system_value)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:129: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  non_prop_df = non_prop_df.append(non_prop_row)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:167: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  prop_df = prop_df.append(p_df)
 78%|█████████████████████████████████████████████████████████████████▎                  | 7/9 [00:00<00:00, 19.22it/s]E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:123: FutureWarning: pandas.io.json.json_normalize is deprecated, use pandas.json_normalize instead.
  system_normdf = json_normalize(system_value)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:129: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  non_prop_df = non_prop_df.append(non_prop_row)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:167: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  prop_df = prop_df.append(p_df)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:123: FutureWarning: pandas.io.json.json_normalize is deprecated, use pandas.json_normalize instead.
  system_normdf = json_normalize(system_value)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:129: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  non_prop_df = non_prop_df.append(non_prop_row)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:167: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  prop_df = prop_df.append(p_df)
100%|████████████████████████████████████████████████████████████████████████████████████| 9/9 [00:00<00:00, 17.45it/s]


all available fields:
['category', 'chemicalFormula', 'Adsorption energy of OH', 'references', 'uid', 'Morphology', 'Adsorption energy of OH-units', 'Adsorption energy of OH-conditions', 'Surface facet', 'Adsorption energy of OH-dataType']

suggested common fields:
['references', 'chemicalFormula', 'Surface facet', 'Adsorption energy of OH', 'Adsorption energy of OH-units', 'Adsorption energy of OH-dataType', 'Morphology', 'Adsorption energy of OH-conditions']
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df_O=cdr.get_dataframe(criteria={},properties=['adsorption energy of O'],
                      secondary_fields=True)
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  0%|                                                                                           | 0/21 [00:00<?, ?it/s]E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:123: FutureWarning: pandas.io.json.json_normalize is deprecated, use pandas.json_normalize instead.
  system_normdf = json_normalize(system_value)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:129: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  non_prop_df = non_prop_df.append(non_prop_row)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:167: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  prop_df = prop_df.append(p_df)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:123: FutureWarning: pandas.io.json.json_normalize is deprecated, use pandas.json_normalize instead.
  system_normdf = json_normalize(system_value)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:129: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  non_prop_df = non_prop_df.append(non_prop_row)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:167: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  prop_df = prop_df.append(p_df)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:123: FutureWarning: pandas.io.json.json_normalize is deprecated, use pandas.json_normalize instead.
  system_normdf = json_normalize(system_value)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:129: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  non_prop_df = non_prop_df.append(non_prop_row)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:167: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  prop_df = prop_df.append(p_df)
 14%|███████████▊                                                                       | 3/21 [00:00<00:00, 28.91it/s]E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:123: FutureWarning: pandas.io.json.json_normalize is deprecated, use pandas.json_normalize instead.
  system_normdf = json_normalize(system_value)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:129: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  non_prop_df = non_prop_df.append(non_prop_row)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:167: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  prop_df = prop_df.append(p_df)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:123: FutureWarning: pandas.io.json.json_normalize is deprecated, use pandas.json_normalize instead.
  system_normdf = json_normalize(system_value)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:129: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  non_prop_df = non_prop_df.append(non_prop_row)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:167: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  prop_df = prop_df.append(p_df)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:123: FutureWarning: pandas.io.json.json_normalize is deprecated, use pandas.json_normalize instead.
  system_normdf = json_normalize(system_value)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:129: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  non_prop_df = non_prop_df.append(non_prop_row)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:167: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  prop_df = prop_df.append(p_df)
 29%|███████████████████████▋                                                           | 6/21 [00:00<00:00, 27.23it/s]E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:123: FutureWarning: pandas.io.json.json_normalize is deprecated, use pandas.json_normalize instead.
  system_normdf = json_normalize(system_value)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:129: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  non_prop_df = non_prop_df.append(non_prop_row)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:167: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  prop_df = prop_df.append(p_df)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:123: FutureWarning: pandas.io.json.json_normalize is deprecated, use pandas.json_normalize instead.
  system_normdf = json_normalize(system_value)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:129: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  non_prop_df = non_prop_df.append(non_prop_row)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:167: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  prop_df = prop_df.append(p_df)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:123: FutureWarning: pandas.io.json.json_normalize is deprecated, use pandas.json_normalize instead.
  system_normdf = json_normalize(system_value)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:129: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  non_prop_df = non_prop_df.append(non_prop_row)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:167: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  prop_df = prop_df.append(p_df)
 43%|███████████████████████████████████▌                                               | 9/21 [00:00<00:00, 24.81it/s]E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:123: FutureWarning: pandas.io.json.json_normalize is deprecated, use pandas.json_normalize instead.
  system_normdf = json_normalize(system_value)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:129: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  non_prop_df = non_prop_df.append(non_prop_row)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:167: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  prop_df = prop_df.append(p_df)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:123: FutureWarning: pandas.io.json.json_normalize is deprecated, use pandas.json_normalize instead.
  system_normdf = json_normalize(system_value)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:129: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  non_prop_df = non_prop_df.append(non_prop_row)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:167: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  prop_df = prop_df.append(p_df)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:123: FutureWarning: pandas.io.json.json_normalize is deprecated, use pandas.json_normalize instead.
  system_normdf = json_normalize(system_value)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:129: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  non_prop_df = non_prop_df.append(non_prop_row)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:167: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  prop_df = prop_df.append(p_df)
 57%|██████████████████████████████████████████████▊                                   | 12/21 [00:00<00:00, 25.41it/s]E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:123: FutureWarning: pandas.io.json.json_normalize is deprecated, use pandas.json_normalize instead.
  system_normdf = json_normalize(system_value)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:129: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  non_prop_df = non_prop_df.append(non_prop_row)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:167: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  prop_df = prop_df.append(p_df)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:123: FutureWarning: pandas.io.json.json_normalize is deprecated, use pandas.json_normalize instead.
  system_normdf = json_normalize(system_value)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:129: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  non_prop_df = non_prop_df.append(non_prop_row)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:167: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  prop_df = prop_df.append(p_df)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:123: FutureWarning: pandas.io.json.json_normalize is deprecated, use pandas.json_normalize instead.
  system_normdf = json_normalize(system_value)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:129: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  non_prop_df = non_prop_df.append(non_prop_row)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:167: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  prop_df = prop_df.append(p_df)
 71%|██████████████████████████████████████████████████████████▌                       | 15/21 [00:00<00:00, 25.99it/s]E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:123: FutureWarning: pandas.io.json.json_normalize is deprecated, use pandas.json_normalize instead.
  system_normdf = json_normalize(system_value)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:129: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  non_prop_df = non_prop_df.append(non_prop_row)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:167: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  prop_df = prop_df.append(p_df)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:123: FutureWarning: pandas.io.json.json_normalize is deprecated, use pandas.json_normalize instead.
  system_normdf = json_normalize(system_value)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:129: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  non_prop_df = non_prop_df.append(non_prop_row)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:167: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  prop_df = prop_df.append(p_df)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:123: FutureWarning: pandas.io.json.json_normalize is deprecated, use pandas.json_normalize instead.
  system_normdf = json_normalize(system_value)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:129: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  non_prop_df = non_prop_df.append(non_prop_row)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:167: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  prop_df = prop_df.append(p_df)
 86%|██████████████████████████████████████████████████████████████████████▎           | 18/21 [00:00<00:00, 25.90it/s]E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:123: FutureWarning: pandas.io.json.json_normalize is deprecated, use pandas.json_normalize instead.
  system_normdf = json_normalize(system_value)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:129: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  non_prop_df = non_prop_df.append(non_prop_row)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:167: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  prop_df = prop_df.append(p_df)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:123: FutureWarning: pandas.io.json.json_normalize is deprecated, use pandas.json_normalize instead.
  system_normdf = json_normalize(system_value)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:129: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  non_prop_df = non_prop_df.append(non_prop_row)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:167: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  prop_df = prop_df.append(p_df)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:123: FutureWarning: pandas.io.json.json_normalize is deprecated, use pandas.json_normalize instead.
  system_normdf = json_normalize(system_value)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:129: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  non_prop_df = non_prop_df.append(non_prop_row)
E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_Citrine.py:167: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead.
  prop_df = prop_df.append(p_df)
100%|██████████████████████████████████████████████████████████████████████████████████| 21/21 [00:00<00:00, 25.96it/s]

all available fields:
['Adsorption energy of O-conditions', 'Reconstruction', 'category', 'chemicalFormula', 'Adsorption energy of O', 'references', 'uid', 'Adsorption energy of O-units', 'Surface facet']

suggested common fields:
['references', 'chemicalFormula', 'Surface facet', 'Adsorption energy of O', 'Adsorption energy of O-units', 'Adsorption energy of O-conditions', 'Reconstruction']
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df_OH.head()
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df_O.head()
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MPDS - The Materials Platform for Data Science

from matminer.data_retrieval.retrieve_MPDS import MPDSDataRetrieval
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E:\Anaconda\lib\site-packages\matminer\data_retrieval\retrieve_MPDS.py:30: UserWarning: No module named 'jmespath'
  warnings.warn(str(ex))
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MDF - The Materials Data Facility

MDF 数据检索工具 matmin.data _ review。matminer.data_retrieval.retrieve_MDF.MDFDataRetrieval使用 Globus 初始化键进行初始化。在第一次调用 MDFDataRetrieval 对象时，应该会提示您输入一串数字和字母，您可以在 MDF Globus 身份验证网站上输入这些数字和字母。这个系统的一个优点是它实际上根本不需要身份验证。您可以使用 onymous = True，并且可以使用几个 MDF 数据集。但是，其中许多不会，您必须使用 Web 进行身份验证才能访问整个 MDF。

from matminer.data_retrieval.retrieve_MDF import MDFDataRetrieval
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mdf_dr = MDFDataRetrieval(anonymous=True)
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df=mdf_dr.get_dataframe(criteria={'elements':['Ag','Be'],'sources':['oqmd']})
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df.head()
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5 rows × 48 columns

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