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"results": [
{
"id": "mp-1093853",
"created_at": "2022-09-04T14:41:04.397309Z",
"structure_string": "Sc2 Zn1 Cd1\n1.0\n-5.759831 5.976439 8.520642\n5.759831 -5.976439 8.520642\n5.759831 5.976439 -8.520642\nSc Zn Cd\n2 1 1\ndirect\n0.000000 0.241030 0.241030 Sc\n0.000000 0.758970 0.758970 Sc\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Cd\n",
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{
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},
{
"id": "mp-1096465",
"created_at": "2022-09-04T14:47:15.663126Z",
"structure_string": "Sr2 Cd1 Ag1\n1.0\n-6.700585 6.815479 9.457945\n6.700585 -6.815479 9.457945\n6.700585 6.815479 -9.457945\nSr Cd Ag\n2 1 1\ndirect\n0.766492 0.000000 0.766492 Sr\n0.233508 0.000000 0.233508 Sr\n0.500000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Ag\n",
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"volume": 1727.690241617296,
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"formula_full": "Sr2 Cd1 Ag1",
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"formula_anonymous": "ABC2",
"energy": -3.27183168,
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"updated_at": "2021-11-28T01:38:03.253000Z",
"spacegroup": 71
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{
"id": "mp-1095976",
"created_at": "2022-09-04T14:46:29.467534Z",
"structure_string": "Mg2 Ga1 Cu1\n1.0\n-5.246919 5.264858 7.174421\n5.246919 -5.264858 7.174421\n5.246919 5.264858 -7.174421\nMg Ga Cu\n2 1 1\ndirect\n0.000000 0.239444 0.239444 Mg\n0.000000 0.760556 0.760556 Mg\n0.000000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
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"formula_full": "Mg2 Ga1 Cu1",
"formula_reduced": "Mg2GaCu",
"formula_anonymous": "ABC2",
"energy": -4.87150231,
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"updated_at": "2021-11-28T01:37:41.829000Z",
"spacegroup": 71
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{
"id": "mp-1182484",
"created_at": "2022-09-04T14:41:57.290501Z",
"structure_string": "C6 N8\n1.0\n3.240711 -5.613075 0.000000\n3.240711 5.613075 0.000000\n0.000000 0.000000 22.053852\nC N\n6 8\ndirect\n0.556136 0.694360 0.250000 C\n0.138224 0.443864 0.250000 C\n0.305640 0.861776 0.250000 C\n0.443864 0.305640 0.750000 C\n0.861776 0.556136 0.750000 C\n0.694360 0.138224 0.750000 C\n0.742714 0.708670 0.250000 N\n0.965956 0.257286 0.250000 N\n0.291330 0.034044 0.250000 N\n0.257286 0.291330 0.750000 N\n0.034044 0.742714 0.750000 N\n0.708670 0.965956 0.750000 N\n0.333333 0.666667 0.250000 N\n0.666667 0.333333 0.750000 N\n",
"nsites": 14,
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"elements": [
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"N"
],
"chemical_system": "C-N",
"density": 0.3810564126032712,
"density_atomic": 0.017449076064274004,
"volume": 802.3347453143498,
"volume_molar": 34.51266266372689,
"formula_full": "C6 N8",
"formula_reduced": "C3N4",
"formula_anonymous": "A3B4",
"energy": -113.87652204,
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"updated_at": "2021-11-28T01:35:33.519000Z",
"spacegroup": 176
},
{
"id": "mp-1095901",
"created_at": "2022-09-04T14:48:04.025214Z",
"structure_string": "Sr1 Ca1 Ag2\n1.0\n-6.171157 6.543149 9.253444\n6.171157 -6.543149 9.253444\n6.171157 6.543149 -9.253444\nSr Ca Ag\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Ca\n0.000000 0.242091 0.242091 Ag\n0.000000 0.757909 0.757909 Ag\n",
"nsites": 4,
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"elements": [
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"Ca",
"Ag"
],
"chemical_system": "Ag-Ca-Sr",
"density": 0.38157164428836043,
"density_atomic": 0.0026763517605962062,
"volume": 1494.5718492209435,
"volume_molar": 225.01305129855047,
"formula_full": "Sr1 Ca1 Ag2",
"formula_reduced": "SrCaAg2",
"formula_anonymous": "ABC2",
"energy": -5.12442851,
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"total_magnetization": 4.75e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.005000Z",
"spacegroup": 71
},
{
"id": "mp-1093961",
"created_at": "2022-09-04T14:47:22.363537Z",
"structure_string": "Sc2 In1 Cu1\n1.0\n-5.538293 6.116390 8.612101\n5.538293 -6.116390 8.612101\n5.538293 6.116390 -8.612101\nSc In Cu\n2 1 1\ndirect\n0.000000 0.234560 0.234560 Sc\n0.000000 0.765440 0.765440 Sc\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
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"elements": [
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"density": 0.38176000832671436,
"density_atomic": 0.003427834045123255,
"volume": 1166.9176358437655,
"volume_molar": 175.68355645943944,
"formula_full": "Sc2 In1 Cu1",
"formula_reduced": "Sc2InCu",
"formula_anonymous": "ABC2",
"energy": -10.97450487,
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"updated_at": "2021-11-28T01:38:06.854000Z",
"spacegroup": 71
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{
"id": "mp-1096125",
"created_at": "2022-09-04T14:41:27.552480Z",
"structure_string": "Al1 V1 Cr2\n1.0\n-4.983998 5.443631 7.288202\n4.983998 -5.443631 7.288202\n4.983998 5.443631 -7.288202\nAl V Cr\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 V\n0.241833 0.000000 0.241833 Cr\n0.758167 0.000000 0.758167 Cr\n",
"nsites": 4,
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"elements": [
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"V",
"Cr"
],
"chemical_system": "Al-Cr-V",
"density": 0.38191898502538574,
"density_atomic": 0.005057234138787591,
"volume": 790.9461753651276,
"volume_molar": 119.07973004081107,
"formula_full": "Al1 V1 Cr2",
"formula_reduced": "AlVCr2",
"formula_anonymous": "ABC2",
"energy": -19.46217603,
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"updated_at": "2021-11-28T01:35:22.692000Z",
"spacegroup": 71
},
{
"id": "mp-1096423",
"created_at": "2022-09-04T14:44:28.569081Z",
"structure_string": "Na2 Tl1 Cd1\n1.0\n-6.434168 6.581107 9.307359\n6.434168 -6.581107 9.307359\n6.434168 6.581107 -9.307359\nNa Tl Cd\n2 1 1\ndirect\n0.000000 0.250003 0.250003 Na\n0.000000 0.749997 0.749997 Na\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"volume": 1576.4413044351184,
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"formula_full": "Na2 Tl1 Cd1",
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"updated_at": "2021-11-28T01:36:42.525000Z",
"spacegroup": 71
},
{
"id": "mp-1096192",
"created_at": "2022-09-04T14:46:08.528655Z",
"structure_string": "Li1 Mg1 In2\n1.0\n-5.750608 5.890271 8.360420\n5.750608 -5.890271 8.360420\n5.750608 5.890271 -8.360420\nLi Mg In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Mg\n0.000000 0.245239 0.245239 In\n0.000000 0.754761 0.754761 In\n",
"nsites": 4,
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"volume": 1132.7579720770602,
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"formula_full": "Li1 Mg1 In2",
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"spacegroup": 71
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{
"id": "mp-1095718",
"created_at": "2022-09-04T14:42:19.773330Z",
"structure_string": "Y1 Sc1 Zn2\n1.0\n-5.730245 5.949336 8.425973\n5.730245 -5.949336 8.425973\n5.730245 5.949336 -8.425973\nY Sc Zn\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Sc\n0.000000 0.241773 0.241773 Zn\n0.000000 0.758227 0.758227 Zn\n",
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"formula_full": "Y1 Sc1 Zn2",
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"spacegroup": 71
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{
"id": "mp-1207357",
"created_at": "2022-09-04T14:41:11.047047Z",
"structure_string": "Ho3 Tl1 S6\n1.0\n6.068079 -9.216539 0.000000\n6.068079 9.216539 0.000000\n0.000000 0.000000 34.587478\nHo Tl S\n3 1 6\ndirect\n0.000000 0.000000 0.500000 Ho\n0.500000 0.000000 0.000000 Ho\n0.000000 0.500000 0.000000 Ho\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.231357 S\n0.000000 0.000000 0.768643 S\n0.271172 0.972209 0.000000 S\n0.728828 0.027791 0.000000 S\n0.972209 0.271172 0.000000 S\n0.027791 0.728828 0.000000 S\n",
"nsites": 10,
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"volume": 3868.7260957506223,
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"formula_full": "Ho3 Tl1 S6",
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"formula_anonymous": "AB3C6",
"energy": -33.24602415,
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"updated_at": "2021-11-28T01:35:23.497000Z",
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}
]
}