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How to obtain the k_vrh and g_vrh of the material #867

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dream123321 opened this issue Nov 24, 2023 · 2 comments
Open

How to obtain the k_vrh and g_vrh of the material #867

dream123321 opened this issue Nov 24, 2023 · 2 comments

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@dream123321
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Problem

with MPRester("API_KEY") as mpr:
    docs = mpr.materials.summary.search(material_ids=['mp-66'],fields=['elements','k_vrh','g_vrh','band_gap'])

i = docs[0]
print(i.elements)
print(i.band_gap)

Result:
[Element C]
4.1145

But add it after the code:
print(i.k_vrh)

Result:
File "/home/jh/mp/test.py", line 22, in
print(i.k_vrh)
File "/home/jh/anaconda3/envs/mp_test/lib/python3.10/site-packages/mp_api/client/core/client.py", line 925, in new_getattr
raise AttributeError(
AttributeError: 'MPDataDoc' object has no attribute 'k_vrh'

Proposed Solution

How to obtain the k_vrh and g_vrh of the material?

Alternatives

No response

@munrojm
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munrojm commented Nov 25, 2023

See this thread

@dream123321
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See this thread

Thank you very much!

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