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"results": [
{
"id": "mp-1071877",
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"structure_string": "U1 Cu4 Pd1\n1.0\n0.000000 3.524966 3.524966\n3.524966 0.000000 3.524966\n3.524966 3.524966 0.000000\nU Cu Pd\n1 4 1\ndirect\n0.000000 0.000000 0.000000 U\n0.624313 0.624313 0.127062 Cu\n0.624313 0.127062 0.624313 Cu\n0.127062 0.624313 0.624313 Cu\n0.624313 0.624313 0.624313 Cu\n0.250000 0.250000 0.250000 Pd\n",
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{
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"spacegroup": 63
},
{
"id": "mp-1077547",
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"structure_string": "Tm1 Ni4 Au1\n1.0\n0.000000 3.466895 3.466895\n3.466895 0.000000 3.466895\n3.466895 3.466895 0.000000\nTm Ni Au\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.624385 0.624385 0.126846 Ni\n0.624385 0.126846 0.624385 Ni\n0.126846 0.624385 0.624385 Ni\n0.624385 0.624385 0.624385 Ni\n0.250000 0.250000 0.250000 Au\n",
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"volume": 83.33972469926974,
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"formula_full": "Tm1 Ni4 Au1",
"formula_reduced": "TmNi4Au",
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"updated_at": "2021-11-28T01:39:14.422000Z",
"spacegroup": 216
},
{
"id": "mp-1184751",
"created_at": "2022-09-04T14:46:35.315388Z",
"structure_string": "In1 Si1 O3\n1.0\n3.663019 0.000000 0.000000\n0.000000 3.663019 0.000000\n0.000000 0.000000 3.663019\nIn Si O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Si\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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"formula_full": "In1 Si1 O3",
"formula_reduced": "InSiO3",
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"spacegroup": 221
},
{
"id": "mp-1215593",
"created_at": "2022-09-04T14:45:10.276976Z",
"structure_string": "Zn2 Ge2 As2 P2\n1.0\n-2.801948 2.819657 5.557862\n2.801948 -2.819657 5.557862\n2.801948 2.819657 -5.557862\nZn Ge As P\n2 2 2 2\ndirect\n0.631060 0.381060 0.250000 Zn\n0.868940 0.118940 0.750000 Zn\n0.129688 0.879688 0.250000 Ge\n0.370312 0.620312 0.750000 Ge\n0.250000 0.499079 0.249079 As\n0.750000 0.000921 0.250921 As\n0.494257 0.250000 0.744257 P\n0.005743 0.750000 0.755743 P\n",
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"formula_full": "Zn2 Ge2 As2 P2",
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"formula_anonymous": "ABCD",
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"updated_at": "2021-11-28T01:36:50.946000Z",
"spacegroup": 24
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{
"id": "mp-1079577",
"created_at": "2022-09-04T14:41:45.010609Z",
"structure_string": "Ni1 Cl2 O6\n1.0\n3.068263 5.146350 0.000000\n-3.068263 5.146350 0.000000\n0.000000 2.895624 4.974758\nNi Cl O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Ni\n0.316513 0.316513 0.089898 Cl\n0.683487 0.683487 0.910102 Cl\n0.289011 0.906181 0.742560 O\n0.093819 0.710989 0.257440 O\n0.710989 0.093819 0.257440 O\n0.906181 0.289011 0.742560 O\n0.567258 0.567258 0.429747 O\n0.432742 0.432742 0.570253 O\n",
"nsites": 9,
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"elements": [
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"Cl",
"O"
],
"chemical_system": "Cl-Ni-O",
"density": 2.384439187684932,
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"volume": 157.1063926040371,
"volume_molar": 10.512409006192604,
"formula_full": "Ni1 Cl2 O6",
"formula_reduced": "Ni(ClO3)2",
"formula_anonymous": "AB2C6",
"energy": -33.3401775,
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"updated_at": "2021-11-28T01:35:41.246000Z",
"spacegroup": 12
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{
"id": "mp-865764",
"created_at": "2022-09-04T14:47:21.131592Z",
"structure_string": "Yb1 Gd1 Rh2\n1.0\n0.000000 3.400895 3.400895\n3.400895 0.000000 3.400895\n3.400895 3.400895 0.000000\nYb Gd Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Gd\n0.750000 0.750000 0.750000 Rh\n0.250000 0.250000 0.250000 Rh\n",
"nsites": 4,
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"density": 11.315820460594361,
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"formula_full": "Yb1 Gd1 Rh2",
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{
"id": "mp-19983",
"created_at": "2022-09-04T14:45:00.381873Z",
"structure_string": "Ti2 Cu2 Sn2\n1.0\n2.208883 -3.825898 0.000000\n2.208883 3.825898 0.000000\n0.000000 0.000000 6.038120\nTi Cu Sn\n2 2 2\ndirect\n0.000000 0.000000 0.999970 Ti\n0.000000 0.000000 0.499970 Ti\n0.333333 0.666667 0.777026 Cu\n0.666667 0.333333 0.277026 Cu\n0.333333 0.666667 0.245004 Sn\n0.666667 0.333333 0.745004 Sn\n",
"nsites": 6,
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"density": 7.488611224730357,
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"volume": 102.05583389380747,
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"formula_full": "Ti2 Cu2 Sn2",
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"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:36:51.622000Z",
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{
"id": "mp-1225153",
"created_at": "2022-09-04T14:39:48.419605Z",
"structure_string": "Eu1 Cu4 Pd1\n1.0\n0.000000 0.000000 -4.219807\n-5.160208 0.001150 0.000000\n-2.581100 4.467177 0.000000\nEu Cu Pd\n1 4 1\ndirect\n0.000000 0.999969 0.999986 Eu\n0.000000 0.666576 0.666518 Cu\n0.500000 0.504030 0.504031 Cu\n0.500000 0.503975 0.992001 Cu\n0.500000 0.991962 0.504003 Cu\n0.000000 0.333388 0.333561 Pd\n",
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"volume": 97.26061926269756,
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{
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"structure_string": "Mg14 Co1 Sb1\n1.0\n6.241865 -0.010038 0.000000\n-3.129626 5.420671 0.000000\n0.000000 0.000000 10.176740\nMg Co Sb\n14 1 1\ndirect\n0.167137 0.333568 0.625000 Mg\n0.168799 0.834399 0.625000 Mg\n0.671490 0.335995 0.125000 Mg\n0.665890 0.330959 0.625000 Mg\n0.671490 0.835495 0.125000 Mg\n0.665890 0.834930 0.625000 Mg\n0.328364 0.174318 0.363270 Mg\n0.328364 0.174318 0.886730 Mg\n0.328364 0.654047 0.363270 Mg\n0.328364 0.654047 0.886730 Mg\n0.845194 0.172598 0.364813 Mg\n0.845194 0.172598 0.885187 Mg\n0.831302 0.665651 0.379694 Mg\n0.831302 0.665651 0.870306 Mg\n0.164559 0.332279 0.125000 Co\n0.158298 0.829149 0.125000 Sb\n",
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{
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{
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"structure_string": "Ba1 Ag2 Sn1 Se4\n1.0\n-3.599526 3.810360 4.291017\n3.599526 -3.810360 4.291017\n3.599526 3.810360 -4.291017\nBa Ag Sn Se\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.309619 0.809619 0.500000 Ag\n0.690381 0.190381 0.500000 Ag\n0.500000 0.500000 0.000000 Sn\n0.521463 0.531623 0.400910 Se\n0.478537 0.879447 0.010160 Se\n0.130712 0.120553 0.599090 Se\n0.869288 0.468377 0.989840 Se\n",
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]
}