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{
"id": "mp-22811",
"created_at": "2022-09-04T14:47:40.622605Z",
"structure_string": "In2 Cu2 Se4\n1.0\n-2.939364 2.939364 5.901309\n2.939364 -2.939364 5.901309\n2.939364 2.939364 -5.901309\nIn Cu Se\n2 2 4\ndirect\n0.500000 0.500000 0.000000 In\n0.250000 0.750000 0.500000 In\n0.000000 0.000000 0.000000 Cu\n0.750000 0.250000 0.500000 Cu\n0.375000 0.344355 0.469355 Se\n0.875000 0.905645 0.530645 Se\n0.655645 0.125000 0.030645 Se\n0.094355 0.625000 0.969355 Se\n",
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{
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{
"id": "mp-1246729",
"created_at": "2022-09-04T14:47:21.691335Z",
"structure_string": "Ba2 Cr1 N2\n1.0\n0.000000 -4.170180 0.000000\n-4.161309 0.000000 0.000000\n2.080654 2.085091 -6.682763\nBa Cr N\n2 1 2\ndirect\n0.853589 0.853589 0.207179 Ba\n0.146411 0.146411 0.792821 Ba\n0.500000 0.500000 0.500000 Cr\n0.366857 0.366857 0.233714 N\n0.633143 0.633143 0.766286 N\n",
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"volume": 115.96871000344542,
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"formula_full": "Ba2 Cr1 N2",
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"spacegroup": 139
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{
"id": "mp-5176",
"created_at": "2022-09-04T14:44:31.244515Z",
"structure_string": "Y1 Si2 Ni2\n1.0\n-1.988257 1.988257 4.783773\n1.988257 -1.988257 4.783773\n1.988257 1.988257 -4.783773\nY Si Ni\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.626897 0.626897 0.000000 Si\n0.373103 0.373103 0.000000 Si\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n",
"nsites": 5,
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"formula_full": "Y1 Si2 Ni2",
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"spacegroup": 139
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{
"id": "mp-1398557",
"created_at": "2022-09-04T14:45:59.001069Z",
"structure_string": "Li2 Ag2 F6\n1.0\n-5.425231 0.000000 0.000000\n2.566026 4.825665 0.000000\n-0.412523 -2.661888 -5.028270\nLi Ag F\n2 2 6\ndirect\n0.374957 0.651358 0.064117 Li\n0.625043 0.348642 0.935883 Li\n0.161723 0.845991 0.458303 Ag\n0.838277 0.154009 0.541697 Ag\n0.061645 0.257272 0.247720 F\n0.591511 0.069831 0.795515 F\n0.297153 0.482109 0.761889 F\n0.702847 0.517891 0.238111 F\n0.408489 0.930169 0.204485 F\n0.938355 0.742728 0.752280 F\n",
"nsites": 10,
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"elements": [
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"density": 4.334304367680626,
"density_atomic": 0.07596368180725598,
"volume": 131.6418551877617,
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"formula_full": "Li2 Ag2 F6",
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"spacegroup": 2
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{
"id": "mp-1007692",
"created_at": "2022-09-04T14:40:33.799630Z",
"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",
"nsites": 4,
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"elements": [
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"density": 12.629880160423863,
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"volume": 74.9182382501923,
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"formula_full": "Hf2 Pd2",
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"updated_at": "2021-11-28T01:35:04.123000Z",
"spacegroup": 63
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{
"id": "mp-1016829",
"created_at": "2022-09-04T14:39:14.204809Z",
"structure_string": "Mg1 Ru1 O3\n1.0\n3.883346 0.000000 0.000000\n0.000000 3.883346 0.000000\n0.000000 0.000000 3.883346\nMg Ru O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Ru\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"density": 4.916010490277894,
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"volume": 58.5623184227951,
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"formula_full": "Mg1 Ru1 O3",
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{
"id": "mp-1028356",
"created_at": "2022-09-04T14:40:33.050531Z",
"structure_string": "Mg14 Si1 Ni1\n1.0\n6.148447 -0.000000 -0.000000\n-3.074224 5.324711 0.000000\n0.000000 0.000000 10.101531\nMg Si Ni\n14 1 1\ndirect\n0.164336 0.832167 0.125000 Mg\n0.166891 0.833445 0.625000 Mg\n0.667833 0.335664 0.125000 Mg\n0.666555 0.333109 0.625000 Mg\n0.667833 0.832167 0.125000 Mg\n0.666555 0.833445 0.625000 Mg\n0.327919 0.172081 0.368346 Mg\n0.327919 0.172081 0.881654 Mg\n0.327919 0.655839 0.368346 Mg\n0.327919 0.655839 0.881654 Mg\n0.844161 0.172081 0.368346 Mg\n0.844161 0.172081 0.881654 Mg\n0.833333 0.666667 0.373923 Mg\n0.833333 0.666667 0.876077 Mg\n0.166667 0.333333 0.625000 Si\n0.166667 0.333333 0.125000 Ni\n",
"nsites": 16,
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"density": 2.1442628876518675,
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"volume": 330.711027030417,
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"formula_full": "Mg14 Si1 Ni1",
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{
"id": "mp-1076782",
"created_at": "2022-09-04T14:42:45.738637Z",
"structure_string": "Ba1 Co1 O3\n1.0\n3.981593 0.000000 0.000000\n0.000000 3.981593 0.000000\n0.000000 0.000000 3.981593\nBa Co O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
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{
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"structure_string": "Mg1 Fe1 O3\n1.0\n3.765865 0.000000 0.000000\n0.000000 3.765865 0.000000\n0.000000 0.000000 3.765865\nMg Fe O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
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{
"id": "mp-1220865",
"created_at": "2022-09-04T14:42:53.387038Z",
"structure_string": "Na1 Sm2 Se3\n1.0\n-2.084731 2.954285 6.326965\n2.084731 -2.954285 6.326965\n2.084731 2.954285 -6.326965\nNa Sm Se\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.663717 0.663717 0.000000 Sm\n0.336283 0.336283 0.000000 Sm\n0.500000 0.000000 0.500000 Se\n0.168508 0.668508 0.500000 Se\n0.831492 0.331492 0.500000 Se\n",
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"volume": 155.86831378672107,
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"formula_full": "Na1 Sm2 Se3",
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{
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"structure_string": "Ce2 Zn4 Co2\n1.0\n2.523991 -6.202320 0.000000\n2.523991 6.202320 0.000000\n0.000000 0.000000 4.402902\nCe Zn Co\n2 4 2\ndirect\n0.800003 0.199997 0.250000 Ce\n0.199997 0.800003 0.750000 Ce\n0.800576 0.687318 0.250000 Zn\n0.199424 0.312682 0.750000 Zn\n0.312682 0.199424 0.250000 Zn\n0.687318 0.800576 0.750000 Zn\n0.364338 0.635662 0.250000 Co\n0.635662 0.364338 0.750000 Co\n",
"nsites": 8,
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"formula_full": "Ce2 Zn4 Co2",
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]
}