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{
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"results": [
{
"id": "mp-1111182",
"created_at": "2022-09-04T14:39:21.764422Z",
"structure_string": "K3 As1 Cl6\n1.0\n0.000000 5.474604 5.474604\n5.474604 0.000000 5.474604\n5.474604 5.474604 0.000000\nK As Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 As\n0.771275 0.228725 0.228725 Cl\n0.228725 0.228725 0.771275 Cl\n0.228725 0.771275 0.771275 Cl\n0.228725 0.771275 0.228725 Cl\n0.771275 0.228725 0.771275 Cl\n0.771275 0.771275 0.228725 Cl\n",
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{
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"created_at": "2022-09-04T14:39:35.992500Z",
"structure_string": "Mg14 Ti1 Ga1\n1.0\n6.320672 0.062456 0.000000\n-3.106248 5.380178 0.000000\n0.000000 0.000000 10.185068\nMg Ti Ga\n14 1 1\ndirect\n0.167048 0.333523 0.625000 Mg\n0.166316 0.833157 0.625000 Mg\n0.665186 0.330531 0.125000 Mg\n0.665386 0.333566 0.625000 Mg\n0.665186 0.834654 0.125000 Mg\n0.665386 0.831819 0.625000 Mg\n0.330979 0.167657 0.369055 Mg\n0.330979 0.167657 0.880945 Mg\n0.330979 0.663324 0.369055 Mg\n0.330979 0.663324 0.880945 Mg\n0.839084 0.169542 0.372537 Mg\n0.839084 0.169542 0.877463 Mg\n0.836168 0.668084 0.371300 Mg\n0.836168 0.668084 0.878700 Mg\n0.161716 0.330857 0.125000 Ti\n0.169356 0.834678 0.125000 Ga\n",
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"density": 2.1826665398053784,
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"formula_full": "Mg14 Ti1 Ga1",
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"updated_at": "2021-11-28T01:34:30.150000Z",
"spacegroup": 38
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{
"id": "mp-1076706",
"created_at": "2022-09-04T14:41:03.115259Z",
"structure_string": "Sm1 Cu1 O3\n1.0\n3.809085 0.000000 0.000000\n0.000000 3.809085 0.000000\n0.000000 0.000000 3.809085\nSm Cu O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
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"density_atomic": 0.09047071280969383,
"volume": 55.266503874215694,
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"formula_full": "Sm1 Cu1 O3",
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"updated_at": "2021-11-28T01:35:11.677000Z",
"spacegroup": 221
},
{
"id": "mp-568551",
"created_at": "2022-09-04T14:46:34.206245Z",
"structure_string": "Yb1 Cr2 Si2\n1.0\n-1.909570 1.909570 5.428560\n1.909570 -1.909570 5.428560\n1.909570 1.909570 -5.428560\nYb Cr Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.750000 0.250000 0.500000 Cr\n0.250000 0.750000 0.500000 Cr\n0.385180 0.385180 0.000000 Si\n0.614820 0.614820 0.000000 Si\n",
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"formula_full": "Yb1 Cr2 Si2",
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"formula_anonymous": "AB2C2",
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"updated_at": "2021-11-28T01:37:37.422000Z",
"spacegroup": 139
},
{
"id": "mp-1022055",
"created_at": "2022-09-04T14:43:24.268808Z",
"structure_string": "Ba2 Mg12 Ni2\n1.0\n5.002088 0.000000 0.000000\n0.000000 6.024488 0.000000\n0.000000 0.000000 13.689253\nBa Mg Ni\n2 12 2\ndirect\n0.500000 0.500000 0.201813 Ba\n0.500000 0.000000 0.701813 Ba\n0.500000 0.245214 0.443576 Mg\n0.500000 0.754786 0.443576 Mg\n0.000000 0.764058 0.075295 Mg\n0.000000 0.235942 0.075295 Mg\n0.000000 0.000000 0.294264 Mg\n0.000000 0.500000 0.371054 Mg\n0.500000 0.745214 0.943576 Mg\n0.500000 0.254786 0.943576 Mg\n0.000000 0.264058 0.575295 Mg\n0.000000 0.735942 0.575295 Mg\n0.000000 0.500000 0.794264 Mg\n0.000000 0.000000 0.871054 Mg\n0.500000 0.000000 0.095123 Ni\n0.500000 0.500000 0.595123 Ni\n",
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"elements": [
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"Mg",
"Ni"
],
"chemical_system": "Ba-Mg-Ni",
"density": 2.752098438896368,
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"volume": 412.52590104333257,
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"formula_full": "Ba2 Mg12 Ni2",
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"updated_at": "2021-11-28T01:36:17.163000Z",
"spacegroup": 38
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{
"id": "mp-862334",
"created_at": "2022-09-04T14:43:41.512201Z",
"structure_string": "Sc2 Ir1 Rh1\n1.0\n0.000000 3.235487 3.235487\n3.235487 0.000000 3.235487\n3.235487 3.235487 0.000000\nSc Ir Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
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"elements": [
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"Ir",
"Rh"
],
"chemical_system": "Ir-Rh-Sc",
"density": 9.43842590428036,
"density_atomic": 0.059048792094752715,
"volume": 67.74058974113129,
"volume_molar": 10.198584164662615,
"formula_full": "Sc2 Ir1 Rh1",
"formula_reduced": "Sc2IrRh",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:36:17.065000Z",
"spacegroup": 225
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{
"id": "mp-21427",
"created_at": "2022-09-04T14:45:15.970983Z",
"structure_string": "Gd1 Pd3\n1.0\n4.160234 0.000000 0.000000\n0.000000 4.160234 0.000000\n0.000000 0.000000 4.160234\nGd Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Gd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n",
"nsites": 4,
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"density": 10.989244587778114,
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"volume": 72.00344521456769,
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"formula_full": "Gd1 Pd3",
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"updated_at": "2021-11-28T01:37:04.599000Z",
"spacegroup": 221
},
{
"id": "mp-996983",
"created_at": "2022-09-04T14:39:46.509349Z",
"structure_string": "Ag2 Au2 O4\n1.0\n4.065920 0.000000 0.000000\n0.000000 5.532958 0.000000\n0.000000 1.342033 5.453571\nAg Au O\n2 2 4\ndirect\n0.500000 0.000000 0.500000 Ag\n0.000000 0.500000 0.500000 Ag\n0.500000 0.500000 0.000000 Au\n0.000000 0.000000 0.000000 Au\n0.789840 0.223350 0.200090 O\n0.289840 0.276650 0.799910 O\n0.210160 0.776650 0.799910 O\n0.710160 0.723350 0.200090 O\n",
"nsites": 8,
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"Au",
"O"
],
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"density": 9.117951665401907,
"density_atomic": 0.06520678868667308,
"volume": 122.68661225506776,
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"formula_full": "Ag2 Au2 O4",
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"spacegroup": 14
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{
"id": "mp-866141",
"created_at": "2022-09-04T14:47:21.525494Z",
"structure_string": "Ti1 Fe2 Si1\n1.0\n0.000000 2.846042 2.846042\n2.846042 0.000000 2.846042\n2.846042 2.846042 0.000000\nTi Fe Si\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n0.500000 0.500000 0.500000 Si\n",
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"formula_full": "Ti1 Fe2 Si1",
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{
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"structure_string": "Hf2 Pd2\n1.0\n1.644656 -5.170521 0.000000\n1.644656 5.170521 0.000000\n0.000000 0.000000 4.405023\nHf Pd\n2 2\ndirect\n0.856761 0.143239 0.750000 Hf\n0.143239 0.856761 0.250000 Hf\n0.589378 0.410622 0.750000 Pd\n0.410622 0.589378 0.250000 Pd\n",
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{
"id": "mp-1029309",
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{
"id": "mp-1112383",
"created_at": "2022-09-04T14:41:54.992859Z",
"structure_string": "K2 In1 Cu1 Cl6\n1.0\n0.000000 5.087141 5.087141\n5.087141 0.000000 5.087141\n5.087141 5.087141 0.000000\nK In Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Cu\n0.746984 0.253016 0.253016 Cl\n0.253016 0.253016 0.746984 Cl\n0.253016 0.746984 0.746984 Cl\n0.253016 0.746984 0.253016 Cl\n0.746984 0.253016 0.746984 Cl\n0.746984 0.746984 0.253016 Cl\n",
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"volume": 263.3002800361875,
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"formula_full": "K2 In1 Cu1 Cl6",
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"formula_anonymous": "ABC2D6",
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]
}