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{
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{
"id": "mp-4878",
"created_at": "2022-09-04T14:42:08.594392Z",
"structure_string": "Zr2 Ge2 Se2\n1.0\n3.737682 0.000000 0.000000\n0.000000 3.737682 0.000000\n0.000000 0.000000 8.405376\nZr Ge Se\n2 2 2\ndirect\n0.000000 0.500000 0.738751 Zr\n0.500000 0.000000 0.261249 Zr\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.000000 Ge\n0.500000 0.000000 0.621191 Se\n0.000000 0.500000 0.378809 Se\n",
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{
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"spacegroup": 129
},
{
"id": "mp-4997",
"created_at": "2022-09-04T14:42:07.290272Z",
"structure_string": "Zr2 Ge2 S2\n1.0\n3.656054 0.000000 0.000000\n0.000000 3.656054 0.000000\n0.000000 0.000000 8.108891\nZr Ge S\n2 2 2\ndirect\n0.000000 0.500000 0.725130 Zr\n0.500000 0.000000 0.274870 Zr\n0.500000 0.500000 0.000000 Ge\n0.000000 0.000000 0.000000 Ge\n0.000000 0.500000 0.379159 S\n0.500000 0.000000 0.620841 S\n",
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"formula_full": "Zr2 Ge2 S2",
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"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:35:31.206000Z",
"spacegroup": 129
},
{
"id": "mp-8042",
"created_at": "2022-09-04T14:39:31.948284Z",
"structure_string": "Zr2 Ge2 O8\n1.0\n-2.463113 2.463113 5.366162\n2.463113 -2.463113 5.366162\n2.463113 2.463113 -5.366162\nZr Ge O\n2 2 8\ndirect\n0.250000 0.750000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.750000 0.250000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.564969 0.158793 0.060543 O\n0.254426 0.814969 0.906176 O\n0.908793 0.348250 0.093824 O\n0.098250 0.504426 0.939457 O\n0.651750 0.745574 0.560543 O\n0.841207 0.901750 0.406176 O\n0.495574 0.435031 0.593824 O\n0.185031 0.091207 0.439457 O\n",
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"volume": 130.22442353592749,
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"formula_full": "Zr2 Ge2 O8",
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"updated_at": "2021-11-28T01:34:41.678000Z",
"spacegroup": 88
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{
"id": "mp-1245523",
"created_at": "2022-09-04T14:43:20.411558Z",
"structure_string": "Zr2 Ge2 N4\n1.0\n3.955633 0.000000 0.000000\n0.000000 3.955633 0.000000\n0.000000 0.000000 7.839118\nZr Ge N\n2 2 4\ndirect\n0.750000 0.750000 0.610888 Zr\n0.250000 0.250000 0.389112 Zr\n0.750000 0.750000 0.112165 Ge\n0.250000 0.250000 0.887835 Ge\n0.750000 0.250000 0.500000 N\n0.250000 0.750000 0.500000 N\n0.750000 0.750000 0.878963 N\n0.250000 0.250000 0.121037 N\n",
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],
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"density": 5.195217493154172,
"density_atomic": 0.0652215029667916,
"volume": 122.65893357399791,
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"formula_full": "Zr2 Ge2 N4",
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"updated_at": "2021-11-28T01:36:08.200000Z",
"spacegroup": 129
},
{
"id": "mp-1207505",
"created_at": "2022-09-04T14:43:03.479074Z",
"structure_string": "Zr2 Ge1 Sb2\n1.0\n3.004610 0.000000 0.000000\n0.000000 3.004610 0.000000\n0.000000 0.000000 14.716162\nZr Ge Sb\n2 1 2\ndirect\n0.500000 0.500000 0.184196 Zr\n0.500000 0.500000 0.815804 Zr\n0.500000 0.500000 0.000000 Ge\n0.500000 0.500000 0.610871 Sb\n0.500000 0.500000 0.389129 Sb\n",
"nsites": 5,
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"density": 6.232145198170295,
"density_atomic": 0.03763563323603861,
"volume": 132.85281979026647,
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"formula_full": "Zr2 Ge1 Sb2",
"formula_reduced": "Zr2GeSb2",
"formula_anonymous": "AB2C2",
"energy": -28.73517535,
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"updated_at": "2021-11-28T01:36:00.225000Z",
"spacegroup": 123
},
{
"id": "mp-1080001",
"created_at": "2022-09-04T14:48:10.950857Z",
"structure_string": "Zr2 Ga6\n1.0\n-1.996603 1.996603 8.830213\n1.996603 -1.996603 8.830213\n1.996603 1.996603 -8.830213\nZr Ga\n2 6\ndirect\n0.881602 0.881602 0.000000 Zr\n0.118398 0.118398 0.000000 Zr\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ga\n0.624781 0.624781 0.000000 Ga\n0.375219 0.375219 0.000000 Ga\n",
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"volume": 140.80387585184562,
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"formula_full": "Zr2 Ga6",
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},
{
"id": "mp-30683",
"created_at": "2022-09-04T14:45:03.093586Z",
"structure_string": "Zr2 Ga4\n1.0\n2.008132 -6.508272 0.000000\n2.008132 6.508272 0.000000\n0.000000 0.000000 4.157155\nZr Ga\n2 4\ndirect\n0.650056 0.349944 0.000000 Zr\n0.349944 0.650056 0.000000 Zr\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.821984 0.178016 0.500000 Ga\n0.178016 0.821984 0.500000 Ga\n",
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"formula_full": "Zr2 Ga4",
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},
{
"id": "mp-1215689",
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"structure_string": "Zr2 Ga3 Ni1\n1.0\n2.083879 4.929782 0.000000\n-2.083879 4.929782 0.000000\n0.000000 4.343691 4.941991\nZr Ga Ni\n2 3 1\ndirect\n0.461272 0.461272 0.281387 Zr\n0.544177 0.544177 0.701137 Zr\n0.145816 0.145816 0.325427 Ga\n0.177365 0.177365 0.862965 Ga\n0.839253 0.839253 0.104901 Ga\n0.832118 0.832118 0.724183 Ni\n",
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"formula_full": "Zr2 Ga3 Ni1",
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{
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{
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{
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"created_at": "2022-09-04T14:42:01.420302Z",
"structure_string": "Zr2 Ga2 Cu2\n1.0\n-2.123014 -3.680110 -0.000719\n-4.246029 0.000000 0.000000\n0.000000 -0.001184 -6.559772\nZr Ga Cu\n2 2 2\ndirect\n0.999790 0.000105 0.771150 Zr\n0.000210 0.999895 0.228850 Zr\n0.666440 0.666780 0.458984 Ga\n0.333560 0.333220 0.541016 Ga\n0.333420 0.333290 0.974550 Cu\n0.666580 0.666710 0.025450 Cu\n",
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}
]
}