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{
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"results": [
{
"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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{
"id": "mp-1080611",
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"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-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",
"nsites": 16,
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"elements": [
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"density": 2.0256705574859604,
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"volume": 391.62133322099976,
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"formula_full": "Rb1 Mg14 Cr1",
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"spacegroup": 38
},
{
"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",
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"elements": [
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"formula_full": "V1 Sn1 Rh2",
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"spacegroup": 139
},
{
"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",
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"density_atomic": 0.04033307002878286,
"volume": 396.69680459687135,
"volume_molar": 14.931024977028589,
"formula_full": "Rb1 Mg14 Zr1",
"formula_reduced": "RbMg14Zr",
"formula_anonymous": "ABC14",
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"updated_at": "2021-11-28T01:35:36.432000Z",
"spacegroup": 187
},
{
"id": "mp-1114668",
"created_at": "2022-09-04T14:40:20.238254Z",
"structure_string": "Rb2 Na1 Au1 Cl6\n1.0\n0.000000 5.276944 5.276944\n5.276944 0.000000 5.276944\n5.276944 5.276944 0.000000\nRb Na Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Au\n0.761271 0.238729 0.238729 Cl\n0.238729 0.238729 0.761271 Cl\n0.238729 0.761271 0.761271 Cl\n0.238729 0.761271 0.238729 Cl\n0.761271 0.238729 0.761271 Cl\n0.761271 0.761271 0.238729 Cl\n",
"nsites": 10,
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"elements": [
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"density_atomic": 0.034026912804785925,
"volume": 293.88502146434774,
"volume_molar": 17.698169665139236,
"formula_full": "Rb2 Na1 Au1 Cl6",
"formula_reduced": "Rb2NaAuCl6",
"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:34:53.158000Z",
"spacegroup": 225
},
{
"id": "mp-1112943",
"created_at": "2022-09-04T14:43:18.814150Z",
"structure_string": "Cs2 Ag1 Sb1 Br6\n1.0\n0.000000 5.689253 5.689253\n5.689253 0.000000 5.689253\n5.689253 5.689253 0.000000\nCs Ag Sb Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Sb\n0.751554 0.248446 0.248446 Br\n0.248446 0.248446 0.751554 Br\n0.248446 0.751554 0.751554 Br\n0.248446 0.751554 0.248446 Br\n0.751554 0.248446 0.751554 Br\n0.751554 0.751554 0.248446 Br\n",
"nsites": 10,
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"elements": [
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"Ag",
"Sb",
"Br"
],
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"volume": 368.29492736939363,
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"formula_full": "Cs2 Ag1 Sb1 Br6",
"formula_reduced": "Cs2AgSbBr6",
"formula_anonymous": "ABC2D6",
"energy": -32.67772011,
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"spacegroup": 225
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{
"id": "mp-975207",
"created_at": "2022-09-04T14:41:33.985153Z",
"structure_string": "Rb1 Sm1 O3\n1.0\n4.576909 0.000000 0.000000\n0.000000 4.576909 0.000000\n0.000000 0.000000 4.576909\nRb Sm O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Sm\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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},
{
"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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"formula_full": "K2 Ce2 Mg12",
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{
"id": "mp-1222402",
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"structure_string": "Li1 Gd1 Se2\n1.0\n4.126063 0.000000 0.000000\n0.000000 4.126063 0.000000\n0.000000 0.000000 5.606562\nLi Gd Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Gd\n0.000000 0.000000 0.500000 Se\n0.500000 0.500000 0.000000 Se\n",
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"volume": 95.44833101359077,
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"formula_full": "Li1 Gd1 Se2",
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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",
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"volume": 175.7097105720806,
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"formula_full": "Y4 Mg2",
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{
"id": "mp-27368",
"created_at": "2022-09-04T14:47:11.195454Z",
"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",
"nsites": 10,
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"formula_full": "Na1 Li5 Sn4",
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"formula_anonymous": "AB4C5",
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}
]
}