Hi, users and developers,
For a few weeks you have added more than 6000 compounds contain elastic tensor to reach actually 13934, which is the number indicated on the Material project website. However, MPRester queries are giving inconsistent results. For example, 0 compounds containing 3 elements: this is a strange thing !!
In below you can find my own script used to calculate all the elements containing elastic tensor with the obtained result.
from pymatgen import MPRester
api = MPRester()
compteur = 0
compteuri = 0
texte = “”
for i in range(1, 20):
compteuri = 0
entries = api.get_entries({“nelements”: i}, property_data=[“elasticity”])
for entry in entries:
if entry.data[“elasticity”]:
compteuri = compteuri + 1
compteur = compteur + 1
texte += "Number of elements containing " + str(i) + " atome(s) : " + str(compteuri) + “\n”
texte += "\nThe total number of all elements : " + str(compteur)
print(texte)
And the result:
Number of elements containing 1 atome(s) : 312
Number of elements containing 2 atome(s) : 5021
Number of elements containing 3 atome(s) : 0
Number of elements containing 4 atome(s) : 541
Number of elements containing 5 atome(s) : 31
Number of elements containing 6 atome(s) : 1
Number of elements containing 7 atome(s) : 0
Number of elements containing 8 atome(s) : 0
Number of elements containing 9 atome(s) : 0
Number of elements containing 10 atome(s) : 0
Number of elements containing 11 atome(s) : 0
Number of elements containing 12 atome(s) : 0
Number of elements containing 13 atome(s) : 0
Number of elements containing 14 atome(s) : 0
Number of elements containing 15 atome(s) : 0
Number of elements containing 16 atome(s) : 0
Number of elements containing 17 atome(s) : 0
Number of elements containing 18 atome(s) : 0
Number of elements containing 19 atome(s) : 0
The total number of all elements : 5906
Thank you very much for your help.