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{
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{
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{
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{
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{
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{
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"structure_string": "Li4 Cu4 P4 O16\n1.0\n4.885043 0.000000 0.000000\n0.000000 7.748421 0.000000\n0.000000 0.000000 8.529969\nLi Cu P O\n4 4 4 16\ndirect\n0.430100 0.512400 0.194464 Li\n0.430100 0.012400 0.305536 Li\n0.930100 0.987600 0.694464 Li\n0.930100 0.487600 0.805536 Li\n0.952611 0.841765 0.045985 Cu\n0.952611 0.341765 0.454015 Cu\n0.452611 0.658235 0.545985 Cu\n0.452611 0.158235 0.954015 Cu\n0.985012 0.256517 0.074530 P\n0.985012 0.756517 0.425470 P\n0.485012 0.243483 0.574530 P\n0.485012 0.743483 0.925470 P\n0.253927 0.361350 0.047457 O\n0.317211 0.735386 0.080218 O\n0.119745 0.067705 0.092069 O\n0.810759 0.309889 0.214477 O\n0.810759 0.809889 0.285523 O\n0.119745 0.567705 0.407931 O\n0.317211 0.235386 0.419782 O\n0.253927 0.861350 0.452543 O\n0.753927 0.138650 0.547457 O\n0.817211 0.764614 0.580218 O\n0.619745 0.432295 0.592069 O\n0.310759 0.190111 0.714477 O\n0.310759 0.690111 0.785523 O\n0.619745 0.932295 0.907931 O\n0.817211 0.264614 0.919782 O\n0.753927 0.638650 0.952543 O\n",
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],
"chemical_system": "Cu-Li-O-P",
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"formula_full": "Li4 Cu4 P4 O16",
"formula_reduced": "LiCuPO4",
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"updated_at": "2021-11-28T01:37:21.252000Z",
"spacegroup": 33
},
{
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"created_at": "2022-09-04T14:46:09.594737Z",
"structure_string": "Pr1 Ni1 As1\n1.0\n2.080344 -3.603262 0.000000\n2.080344 3.603262 0.000000\n0.000000 0.000000 4.080278\nPr Ni As\n1 1 1\ndirect\n0.666667 0.333333 0.500000 Pr\n0.333333 0.666667 0.000000 Ni\n0.000000 0.000000 0.000000 As\n",
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"density": 7.452063283913169,
"density_atomic": 0.049042263795349796,
"volume": 61.17172756377655,
"volume_molar": 12.279491797381143,
"formula_full": "Pr1 Ni1 As1",
"formula_reduced": "PrNiAs",
"formula_anonymous": "ABC",
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"formation_energy": null,
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"energy_uncorrected": -18.25085045,
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"updated_at": "2021-11-28T01:37:22.686000Z",
"spacegroup": 187
},
{
"id": "mp-1210372",
"created_at": "2022-09-04T14:46:09.718815Z",
"structure_string": "Na2 Zn1 P2\n1.0\n3.072153 0.000000 0.000000\n0.000000 3.072153 0.000000\n0.000000 0.000000 13.025575\nNa Zn P\n2 1 2\ndirect\n0.500000 0.500000 0.623603 Na\n0.500000 0.500000 0.376397 Na\n0.500000 0.500000 0.000000 Zn\n0.500000 0.500000 0.169474 P\n0.500000 0.500000 0.830526 P\n",
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"elements": [
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],
"chemical_system": "Na-P-Zn",
"density": 2.3412912347151162,
"density_atomic": 0.04067124051465227,
"volume": 122.93699274303408,
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"formula_full": "Na2 Zn1 P2",
"formula_reduced": "Na2ZnP2",
"formula_anonymous": "AB2C2",
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"updated_at": "2021-11-28T01:37:27.400000Z",
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}
]
}