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{
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"results": [
{
"id": "mp-1021277",
"created_at": "2022-09-04T14:39:37.167592Z",
"structure_string": "Li2 Mg12 Sb2\n1.0\n5.081773 0.000000 0.000000\n0.000000 6.429496 0.000000\n0.000000 0.000000 11.035660\nLi Mg Sb\n2 12 2\ndirect\n0.000000 0.500000 0.334458 Li\n0.000000 0.000000 0.834458 Li\n0.000000 0.245147 0.080740 Mg\n0.000000 0.754853 0.080740 Mg\n0.000000 0.500000 0.834772 Mg\n0.500000 0.248600 0.915761 Mg\n0.500000 0.751400 0.915761 Mg\n0.500000 0.500000 0.667032 Mg\n0.000000 0.745147 0.580740 Mg\n0.000000 0.254853 0.580740 Mg\n0.000000 0.000000 0.334772 Mg\n0.500000 0.748600 0.415761 Mg\n0.500000 0.251400 0.415761 Mg\n0.500000 0.000000 0.167032 Mg\n0.500000 0.500000 0.170737 Sb\n0.500000 0.000000 0.670737 Sb\n",
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{
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"updated_at": "2021-11-28T01:36:44.303000Z",
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{
"id": "mp-1112002",
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"structure_string": "Cs2 Tl1 Ga1 Cl6\n1.0\n0.000000 5.482672 5.482672\n5.482672 0.000000 5.482672\n5.482672 5.482672 0.000000\nCs Tl Ga Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ga\n0.780475 0.219525 0.219525 Cl\n0.219525 0.219525 0.780475 Cl\n0.219525 0.780475 0.780475 Cl\n0.219525 0.780475 0.219525 Cl\n0.780475 0.219525 0.780475 Cl\n0.780475 0.780475 0.219525 Cl\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Cl-Cs-Ga-Tl",
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"formula_full": "Cs2 Tl1 Ga1 Cl6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "mp-571339",
"created_at": "2022-09-04T14:42:18.321414Z",
"structure_string": "Ba1 Cr2 As2\n1.0\n-2.065104 2.065104 6.496691\n2.065104 -2.065104 6.496691\n2.065104 2.065104 -6.496691\nBa Cr As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250000 0.500000 Cr\n0.250000 0.750000 0.500000 Cr\n0.351788 0.351788 0.000000 As\n0.648212 0.648212 0.000000 As\n",
"nsites": 5,
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"formula_full": "Ba1 Cr2 As2",
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{
"id": "mp-1024983",
"created_at": "2022-09-04T14:42:28.506933Z",
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"formula_full": "Er1 In1 Ni4",
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"updated_at": "2021-11-28T01:35:49.948000Z",
"spacegroup": 216
},
{
"id": "mp-1215792",
"created_at": "2022-09-04T14:47:57.757577Z",
"structure_string": "Zn1 Cu2 Sn1 Se1 S3\n1.0\n5.534332 0.000000 0.000000\n-0.003204 5.537886 0.000000\n-2.749071 -2.765905 5.516766\nZn Cu Sn Se S\n1 2 1 1 3\ndirect\n0.245208 0.763369 0.507489 Zn\n0.986544 0.986729 0.991233 Cu\n0.763708 0.245745 0.508767 Cu\n0.504790 0.505317 0.993548 Sn\n0.370704 0.361182 0.260711 Se\n0.888510 0.897124 0.258404 S\n0.104222 0.628470 0.739720 S\n0.636314 0.112065 0.740128 S\n",
"nsites": 8,
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"elements": [
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"Se",
"S"
],
"chemical_system": "Cu-S-Se-Sn-Zn",
"density": 4.776596122643641,
"density_atomic": 0.04731471231816519,
"volume": 169.08060110784228,
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"formula_full": "Zn1 Cu2 Sn1 Se1 S3",
"formula_reduced": "ZnCu2SnSeS3",
"formula_anonymous": "ABCD2E3",
"energy": -34.83675259,
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{
"id": "mp-1219723",
"created_at": "2022-09-04T14:42:04.457530Z",
"structure_string": "Pr1 Th1 C1 N1\n1.0\n6.191090 -1.876115 0.000000\n6.191090 1.876115 0.000000\n5.622563 0.000000 3.199406\nPr Th C N\n1 1 1 1\ndirect\n0.749970 0.749970 0.749970 Pr\n0.249112 0.249112 0.249112 Th\n0.994649 0.994649 0.994649 C\n0.506270 0.506269 0.506269 N\n",
"nsites": 4,
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"elements": [
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"Th",
"C",
"N"
],
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"density": 8.913656919005456,
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"volume": 74.32346076442337,
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"formula_full": "Pr1 Th1 C1 N1",
"formula_reduced": "PrThCN",
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"spacegroup": 160
},
{
"id": "mp-975341",
"created_at": "2022-09-04T14:47:28.397850Z",
"structure_string": "La6 Mg2\n1.0\n3.666200 -6.350044 0.000000\n3.666200 6.350044 0.000000\n0.000000 0.000000 5.749830\nLa Mg\n6 2\ndirect\n0.175380 0.350761 0.250000 La\n0.175380 0.824620 0.250000 La\n0.649239 0.824620 0.250000 La\n0.350761 0.175380 0.750000 La\n0.824620 0.175380 0.750000 La\n0.824620 0.649239 0.750000 La\n0.666667 0.333333 0.250000 Mg\n0.333333 0.666667 0.750000 Mg\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "La-Mg",
"density": 5.470926481387438,
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"volume": 267.7181947165536,
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"formula_full": "La6 Mg2",
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{
"id": "mp-1028219",
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"structure_string": "Mg14 Al1 Fe1\n1.0\n6.213127 0.011671 0.000000\n-3.096456 5.363218 0.000000\n0.000000 0.000000 10.057497\nMg Al Fe\n14 1 1\ndirect\n0.170307 0.335153 0.625000 Mg\n0.167142 0.833570 0.625000 Mg\n0.674782 0.335617 0.125000 Mg\n0.664181 0.333768 0.625000 Mg\n0.674782 0.839164 0.125000 Mg\n0.664181 0.830412 0.625000 Mg\n0.325498 0.156214 0.355422 Mg\n0.325498 0.156214 0.894578 Mg\n0.325498 0.669285 0.355422 Mg\n0.325498 0.669285 0.894578 Mg\n0.835631 0.167816 0.376509 Mg\n0.835631 0.167816 0.873491 Mg\n0.844520 0.672260 0.364088 Mg\n0.844520 0.672260 0.885912 Mg\n0.157795 0.328897 0.125000 Al\n0.164538 0.832269 0.125000 Fe\n",
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{
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{
"id": "mp-1111777",
"created_at": "2022-09-04T14:41:49.368886Z",
"structure_string": "Cs1 Rb2 Sb1 Cl6\n1.0\n0.000000 5.915115 5.915115\n5.915115 0.000000 5.915115\n5.915115 5.915115 0.000000\nCs Rb Sb Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Cs\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sb\n0.774909 0.225091 0.225091 Cl\n0.225091 0.225091 0.774909 Cl\n0.225091 0.774909 0.774909 Cl\n0.225091 0.774909 0.225091 Cl\n0.774909 0.225091 0.774909 Cl\n0.774909 0.774909 0.225091 Cl\n",
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"volume": 413.9230134046083,
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{
"id": "mp-1095099",
"created_at": "2022-09-04T14:42:53.732172Z",
"structure_string": "Li1 Pt1 F6\n1.0\n4.842575 -2.520464 0.000000\n4.842575 2.520464 0.000000\n3.530723 0.000000 4.163803\nLi Pt F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Pt\n0.386125 0.093582 0.762188 F\n0.762188 0.386125 0.093582 F\n0.093582 0.762188 0.386125 F\n0.613875 0.906418 0.237812 F\n0.237812 0.613875 0.906418 F\n0.906418 0.237812 0.613875 F\n",
"nsites": 8,
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"formula_full": "Li1 Pt1 F6",
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}
]
}