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{
"id": "mp-1078909",
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"structure_string": "Cd1 Cu2 Ge1 Te4\n1.0\n-3.108714 3.108714 6.108669\n3.108714 -3.108714 6.108669\n3.108714 3.108714 -6.108669\nCd Cu Ge Te\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.500000 0.500000 0.000000 Ge\n0.874748 0.401440 0.000000 Te\n0.401440 0.874748 0.000000 Te\n0.125252 0.125252 0.526691 Te\n0.598560 0.598560 0.473309 Te\n",
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{
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"structure_string": "Na1 Li5 Sn4\n1.0\n10.658982 -2.483308 0.000000\n10.658982 2.483308 0.000000\n10.080426 0.000000 4.262127\nNa Li Sn\n1 5 4\ndirect\n0.483927 0.483927 0.483927 Na\n0.861368 0.861368 0.861368 Li\n0.947349 0.947349 0.947349 Li\n0.584033 0.584033 0.584033 Li\n0.136812 0.136812 0.136812 Li\n0.053862 0.053862 0.053862 Li\n0.771302 0.771301 0.771302 Sn\n0.681701 0.681701 0.681701 Sn\n0.317453 0.317453 0.317453 Sn\n0.224993 0.224993 0.224993 Sn\n",
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"formula_full": "Na1 Li5 Sn4",
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},
{
"id": "mp-865583",
"created_at": "2022-09-04T14:48:09.597510Z",
"structure_string": "Y4 Mg2\n1.0\n1.851400 -8.634808 0.000000\n1.851400 8.634808 0.000000\n0.000000 0.000000 5.495571\nY Mg\n4 2\ndirect\n0.591617 0.408383 0.750000 Y\n0.273939 0.726061 0.750000 Y\n0.408383 0.591617 0.250000 Y\n0.726061 0.273939 0.250000 Y\n0.933816 0.066184 0.750000 Mg\n0.066184 0.933816 0.250000 Mg\n",
"nsites": 6,
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"volume": 175.7097105720806,
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"formula_full": "Y4 Mg2",
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"updated_at": "2021-11-28T01:38:29.057000Z",
"spacegroup": 63
},
{
"id": "mp-1184243",
"created_at": "2022-09-04T14:39:39.588221Z",
"structure_string": "Ga1 Sn1 O3\n1.0\n3.872114 0.000000 0.000000\n0.000000 3.872114 0.000000\n0.000000 0.000000 3.872114\nGa Sn O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Sn\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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"volume": 58.05563839429101,
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"formula_full": "Ga1 Sn1 O3",
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"formula_anonymous": "ABC3",
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"updated_at": "2021-11-28T01:34:36.729000Z",
"spacegroup": 221
},
{
"id": "mp-1021705",
"created_at": "2022-09-04T14:44:22.586327Z",
"structure_string": "K2 Ce2 Mg12\n1.0\n5.405261 0.000000 0.000000\n0.000000 7.024663 0.000000\n0.000000 0.000000 11.929158\nK Ce Mg\n2 2 12\ndirect\n0.000000 0.500000 0.349442 K\n0.000000 0.000000 0.849442 K\n0.500000 0.500000 0.155191 Ce\n0.500000 0.000000 0.655191 Ce\n0.000000 0.252518 0.087887 Mg\n0.000000 0.747482 0.087887 Mg\n0.000000 0.500000 0.833075 Mg\n0.500000 0.267553 0.915873 Mg\n0.500000 0.732447 0.915873 Mg\n0.500000 0.500000 0.654771 Mg\n0.000000 0.752518 0.587887 Mg\n0.000000 0.247482 0.587887 Mg\n0.000000 0.000000 0.333075 Mg\n0.500000 0.767553 0.415873 Mg\n0.500000 0.232447 0.415873 Mg\n0.500000 0.000000 0.154771 Mg\n",
"nsites": 16,
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"elements": [
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"volume": 452.95176298255944,
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"formula_full": "K2 Ce2 Mg12",
"formula_reduced": "KCeMg6",
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"updated_at": "2021-11-28T01:36:35.562000Z",
"spacegroup": 38
},
{
"id": "mp-1027851",
"created_at": "2022-09-04T14:42:14.419546Z",
"structure_string": "Rb1 Mg14 Zr1\n1.0\n6.651603 0.000000 0.000000\n-3.325802 5.760457 -0.000000\n-0.000000 0.000000 10.353220\nRb Mg Zr\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Rb\n0.166578 0.833289 0.125000 Mg\n0.176287 0.838143 0.625000 Mg\n0.666711 0.333422 0.125000 Mg\n0.661857 0.323713 0.625000 Mg\n0.666711 0.833289 0.125000 Mg\n0.661857 0.838143 0.625000 Mg\n0.337655 0.162345 0.359922 Mg\n0.337655 0.162345 0.890078 Mg\n0.337655 0.675311 0.359922 Mg\n0.337655 0.675311 0.890078 Mg\n0.824689 0.162345 0.359922 Mg\n0.824689 0.162345 0.890078 Mg\n0.833333 0.666667 0.376884 Mg\n0.833333 0.666667 0.873116 Mg\n0.166667 0.333333 0.125000 Zr\n",
"nsites": 16,
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"elements": [
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"Mg",
"Zr"
],
"chemical_system": "Mg-Rb-Zr",
"density": 2.1639581032476665,
"density_atomic": 0.04033307002878286,
"volume": 396.69680459687135,
"volume_molar": 14.931024977028589,
"formula_full": "Rb1 Mg14 Zr1",
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},
{
"id": "mp-669918",
"created_at": "2022-09-04T14:39:39.350634Z",
"structure_string": "V1 Sn1 Rh2\n1.0\n-2.052176 2.052176 3.697753\n2.052176 -2.052176 3.697753\n2.052176 2.052176 -3.697753\nV Sn Rh\n1 1 2\ndirect\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.000000 Sn\n0.750000 0.250000 0.500000 Rh\n0.250000 0.750000 0.500000 Rh\n",
"nsites": 4,
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"formula_full": "V1 Sn1 Rh2",
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"spacegroup": 139
},
{
"id": "mp-626644",
"created_at": "2022-09-04T14:41:51.723261Z",
"structure_string": "Ca1 H2 O2\n1.0\n1.795717 3.158491 0.000000\n-1.795717 3.158491 0.000000\n0.000000 0.632559 4.971124\nCa H O\n1 2 2\ndirect\n0.054965 0.945035 0.000000 Ca\n0.853090 0.569135 0.583473 H\n0.430865 0.146910 0.416527 H\n0.745936 0.638763 0.769702 O\n0.361237 0.254064 0.230298 O\n",
"nsites": 5,
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],
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"volume": 56.39000457893707,
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{
"id": "mp-1026642",
"created_at": "2022-09-04T14:44:59.916029Z",
"structure_string": "Rb1 Mg14 Cr1\n1.0\n6.494513 -0.030972 0.000000\n-3.274079 5.670870 0.000000\n0.000000 0.000000 10.662707\nRb Mg Cr\n1 14 1\ndirect\n0.166304 0.333151 0.125000 Rb\n0.168350 0.334174 0.625000 Mg\n0.164852 0.832425 0.625000 Mg\n0.663783 0.328277 0.125000 Mg\n0.666946 0.336166 0.625000 Mg\n0.663783 0.835505 0.125000 Mg\n0.666946 0.830779 0.625000 Mg\n0.336906 0.157764 0.386492 Mg\n0.336906 0.157764 0.863508 Mg\n0.336906 0.679143 0.386492 Mg\n0.336906 0.679143 0.863508 Mg\n0.822904 0.161453 0.392285 Mg\n0.822904 0.161453 0.857715 Mg\n0.837047 0.668524 0.367061 Mg\n0.837047 0.668524 0.882939 Mg\n0.171507 0.835753 0.125000 Cr\n",
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{
"id": "mp-1080611",
"created_at": "2022-09-04T14:41:32.880377Z",
"structure_string": "Ca2 In4 Ni2\n1.0\n2.187455 -5.198422 0.000000\n2.187455 5.198422 0.000000\n0.000000 0.000000 7.689462\nCa In Ni\n2 4 2\ndirect\n0.563769 0.436231 0.250000 Ca\n0.436231 0.563769 0.750000 Ca\n0.851409 0.148591 0.447127 In\n0.148591 0.851409 0.552873 In\n0.851409 0.148591 0.052873 In\n0.148591 0.851409 0.947127 In\n0.281399 0.718601 0.250000 Ni\n0.718601 0.281399 0.750000 Ni\n",
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{
"id": "mp-1023622",
"created_at": "2022-09-04T14:47:34.070282Z",
"structure_string": "Mg15 Ni1\n1.0\n3.156654 -5.467486 0.000000\n3.156654 5.467486 0.000000\n0.000000 0.000000 10.054229\nMg Ni\n15 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.995344 0.497672 0.500000 Mg\n0.003214 0.501607 0.000000 Mg\n0.502328 0.497672 0.500000 Mg\n0.498393 0.501607 0.000000 Mg\n0.502328 0.004656 0.500000 Mg\n0.498393 0.996786 0.000000 Mg\n0.160429 0.320857 0.262103 Mg\n0.160429 0.320857 0.737897 Mg\n0.160429 0.839571 0.262103 Mg\n0.160429 0.839571 0.737897 Mg\n0.679143 0.839571 0.262103 Mg\n0.679143 0.839571 0.737897 Mg\n0.666667 0.333333 0.245985 Mg\n0.666667 0.333333 0.754015 Mg\n0.000000 0.000000 0.500000 Ni\n",
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"elements": [
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{
"id": "mp-1028334",
"created_at": "2022-09-04T14:45:36.580274Z",
"structure_string": "K1 Mg14 V1\n1.0\n6.463342 -0.050998 0.000000\n-3.275836 5.673914 0.000000\n0.000000 0.000000 10.468410\nK Mg V\n1 14 1\ndirect\n0.166735 0.833367 0.125000 K\n0.165589 0.332794 0.625000 Mg\n0.168793 0.834396 0.625000 Mg\n0.664974 0.335330 0.125000 Mg\n0.666422 0.330754 0.625000 Mg\n0.664974 0.829643 0.125000 Mg\n0.666422 0.835667 0.625000 Mg\n0.333857 0.178576 0.381851 Mg\n0.333857 0.178576 0.868149 Mg\n0.333857 0.655281 0.381851 Mg\n0.333857 0.655281 0.868149 Mg\n0.839093 0.169547 0.366652 Mg\n0.839093 0.169547 0.883348 Mg\n0.823408 0.661704 0.388227 Mg\n0.823408 0.661704 0.861773 Mg\n0.175662 0.337831 0.125000 V\n",
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}
]
}