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"structure_string": "Li6 Cr2 P2 C2 O14\n1.0\n0.000000 4.944552 0.122823\n6.435871 0.000000 0.000000\n0.000000 -0.960971 -8.526783\nLi Cr P C O\n6 2 2 2 14\ndirect\n0.831180 0.109224 0.929087 Li\n0.262675 0.530968 0.689400 Li\n0.776683 0.767990 0.619872 Li\n0.223317 0.267990 0.380128 Li\n0.737325 0.030968 0.310600 Li\n0.168820 0.609224 0.070913 Li\n0.262393 0.987221 0.738602 Cr\n0.737607 0.487221 0.261398 Cr\n0.245092 0.796662 0.389286 P\n0.754908 0.296662 0.610714 P\n0.664656 0.724817 0.947893 C\n0.335344 0.224817 0.052107 C\n0.493553 0.242839 0.186725 O\n0.133383 0.594128 0.300356 O\n0.118721 0.987018 0.303112 O\n0.838291 0.287310 0.440972 O\n0.562057 0.794283 0.403859 O\n0.437943 0.294283 0.596141 O\n0.903786 0.802806 0.968473 O\n0.881279 0.487018 0.696888 O\n0.866617 0.094128 0.699644 O\n0.506447 0.742839 0.813275 O\n0.433872 0.124733 0.940430 O\n0.566128 0.624733 0.059570 O\n0.161709 0.787310 0.559028 O\n0.096214 0.302806 0.031527 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
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],
"chemical_system": "C-Cr-Li-O-P",
"density": 2.7959513589138454,
"density_atomic": 0.09608848878823696,
"volume": 270.5839203830094,
"volume_molar": 6.267286368996598,
"formula_full": "Li6 Cr2 P2 C2 O14",
"formula_reduced": "Li3CrPCO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 2.935610569230769,
"spacegroup": 4
},
{
"id": "jvasp-46753",
"created_at": "2022-09-04T14:38:01.738129Z",
"updated_at": "2022-09-04T14:38:01.738158Z",
"structure_string": "Li6 V1 Cr1 P2 C2 O14\n1.0\n0.000000 4.920043 0.064383\n6.416994 0.000000 0.000000\n0.000000 -0.792397 -8.556945\nLi V Cr P C O\n6 1 1 2 2 14\ndirect\n0.806239 0.000000 0.896359 Li\n0.278073 0.765988 0.727676 Li\n0.278073 0.234011 0.727676 Li\n0.723815 0.271867 0.271909 Li\n0.723815 0.728132 0.271909 Li\n0.197961 0.500000 0.113950 Li\n0.205288 0.000000 0.326984 V\n0.802542 0.500000 0.667697 Cr\n0.259893 0.500000 0.406131 P\n0.731913 0.000000 0.589769 P\n0.677135 0.500000 0.962578 C\n0.332964 0.000000 0.040657 C\n0.514281 0.000000 0.163292 O\n0.141080 0.314300 0.304882 O\n0.141080 0.685699 0.304882 O\n0.832409 0.000000 0.427387 O\n0.575471 0.500000 0.416042 O\n0.413022 0.000000 0.570603 O\n0.934076 0.500000 0.951370 O\n0.842783 0.187347 0.694201 O\n0.842783 0.812653 0.694201 O\n0.511775 0.500000 0.831218 O\n0.404200 0.000000 0.900014 O\n0.579584 0.500000 0.096511 O\n0.169960 0.500000 0.572940 O\n0.079771 0.000000 0.069159 O\n",
"nsites": 26,
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"elements": [
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],
"chemical_system": "C-Cr-Li-O-P-V",
"density": 2.7972576152141015,
"density_atomic": 0.09635642254440177,
"volume": 269.8315204471088,
"volume_molar": 6.2498592216050275,
"formula_full": "Li6 V1 Cr1 P2 C2 O14",
"formula_reduced": "Li6VCrP2(CO7)2",
"formula_anonymous": "ABC2D2E6F14",
"energy_above_hull": 3.122210830769231,
"spacegroup": 6
}
]
}