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"results": [
{
"id": "mp-1016401",
"created_at": "2022-09-04T14:41:31.069402Z",
"structure_string": "Sr2 Hf2 Mg12\n1.0\n4.750044 0.000000 0.000000\n0.000000 8.967600 0.000000\n0.000000 0.000000 9.562448\nSr Hf Mg\n2 2 12\ndirect\n0.000000 0.000000 0.127890 Sr\n0.000000 0.500000 0.627890 Sr\n0.000000 0.000000 0.624491 Hf\n0.000000 0.500000 0.124491 Hf\n0.000000 0.250856 0.377984 Mg\n0.000000 0.749144 0.377984 Mg\n0.500000 0.227525 0.622234 Mg\n0.500000 0.772475 0.622234 Mg\n0.500000 0.000000 0.392400 Mg\n0.500000 0.000000 0.854779 Mg\n0.000000 0.750856 0.877984 Mg\n0.000000 0.249144 0.877984 Mg\n0.500000 0.727525 0.122234 Mg\n0.500000 0.272475 0.122234 Mg\n0.500000 0.500000 0.892400 Mg\n0.500000 0.500000 0.354779 Mg\n",
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{
"id": "mp-10164",
"created_at": "2022-09-04T14:41:51.672795Z",
"structure_string": "Na2 Ga2 Te4\n1.0\n-4.145206 4.145206 3.444067\n4.145206 -4.145206 3.444067\n4.145206 4.145206 -3.444067\nNa Ga Te\n2 2 4\ndirect\n0.250000 0.250000 0.000000 Na\n0.750000 0.750000 0.000000 Na\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ga\n0.175416 0.675416 0.850832 Te\n0.675416 0.824584 0.500000 Te\n0.324584 0.175416 0.500000 Te\n0.824584 0.324584 0.149168 Te\n",
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"density": 4.881189212703327,
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"volume": 236.71393178322404,
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"formula_full": "Na2 Ga2 Te4",
"formula_reduced": "NaGaTe2",
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"updated_at": "2021-11-28T01:35:30.649000Z",
"spacegroup": 140
},
{
"id": "mp-1016377",
"created_at": "2022-09-04T14:39:25.910649Z",
"structure_string": "Cs1 Hf1 Mg6\n1.0\n4.915742 -4.933106 0.000000\n4.915742 4.933106 0.000000\n0.000000 0.000000 4.617994\nCs Hf Mg\n1 1 6\ndirect\n0.871710 0.128290 0.500000 Cs\n0.375085 0.624915 0.500000 Hf\n0.371513 0.120650 0.500000 Mg\n0.879350 0.628487 0.500000 Mg\n0.164450 0.410125 0.000000 Mg\n0.589875 0.835550 0.000000 Mg\n0.585677 0.414323 0.000000 Mg\n0.163123 0.836877 0.000000 Mg\n",
"nsites": 8,
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"elements": [
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"density": 3.3898978126966988,
"density_atomic": 0.03571881961041011,
"volume": 223.97156701304965,
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"formula_full": "Cs1 Hf1 Mg6",
"formula_reduced": "CsHfMg6",
"formula_anonymous": "ABC6",
"energy": -17.61148252,
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"updated_at": "2021-11-28T01:34:36.719000Z",
"spacegroup": 38
},
{
"id": "mp-1016372",
"created_at": "2022-09-04T14:45:23.556973Z",
"structure_string": "Cs1 Mg6 Sb1\n1.0\n3.418211 -8.673836 0.000000\n3.418211 8.673836 0.000000\n0.000000 0.000000 4.263710\nCs Mg Sb\n1 6 1\ndirect\n0.719087 0.280913 0.500000 Cs\n0.204546 0.365067 0.500000 Mg\n0.634933 0.795454 0.500000 Mg\n0.139018 0.860982 0.500000 Mg\n0.305588 0.207134 0.000000 Mg\n0.792866 0.694412 0.000000 Mg\n0.301604 0.698396 0.000000 Mg\n0.902256 0.097744 0.000000 Sb\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Cs-Mg-Sb",
"density": 2.630382813739735,
"density_atomic": 0.031641878552877915,
"volume": 252.82948945748916,
"volume_molar": 19.0321846723992,
"formula_full": "Cs1 Mg6 Sb1",
"formula_reduced": "CsMg6Sb",
"formula_anonymous": "ABC6",
"energy": -14.03338672,
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"updated_at": "2021-11-28T01:37:06.158000Z",
"spacegroup": 38
},
{
"id": "mp-1016359",
"created_at": "2022-09-04T14:42:22.963173Z",
"structure_string": "Sr2 Mg12 Bi2\n1.0\n5.453839 0.000000 0.000000\n0.000000 6.524779 0.000000\n0.000000 0.000000 12.120265\nSr Mg Bi\n2 12 2\ndirect\n0.500000 0.000000 0.170747 Sr\n0.500000 0.500000 0.670747 Sr\n0.500000 0.247949 0.418364 Mg\n0.500000 0.752051 0.418364 Mg\n0.000000 0.744000 0.073297 Mg\n0.000000 0.256000 0.073297 Mg\n0.000000 0.000000 0.343613 Mg\n0.000000 0.500000 0.339187 Mg\n0.500000 0.747949 0.918364 Mg\n0.500000 0.252051 0.918364 Mg\n0.000000 0.244000 0.573297 Mg\n0.000000 0.756000 0.573297 Mg\n0.000000 0.500000 0.843613 Mg\n0.000000 0.000000 0.839187 Mg\n0.500000 0.500000 0.163126 Bi\n0.500000 0.000000 0.663126 Bi\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Mg",
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],
"chemical_system": "Bi-Mg-Sr",
"density": 3.4067778777546853,
"density_atomic": 0.037097081800857655,
"volume": 431.30077147011855,
"volume_molar": 16.233462223060286,
"formula_full": "Sr2 Mg12 Bi2",
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"updated_at": "2021-11-28T01:35:43.440000Z",
"spacegroup": 38
},
{
"id": "mp-1016353",
"created_at": "2022-09-04T14:46:39.698501Z",
"structure_string": "Sr2 Mg12 Sb2\n1.0\n5.429959 0.000000 0.000000\n0.000000 6.450936 0.000000\n0.000000 0.000000 11.953362\nSr Mg Sb\n2 12 2\ndirect\n0.500000 0.500000 0.670799 Sr\n0.500000 0.000000 0.170799 Sr\n0.500000 0.748410 0.918785 Mg\n0.500000 0.251590 0.918785 Mg\n0.000000 0.241624 0.575777 Mg\n0.000000 0.758376 0.575777 Mg\n0.000000 0.500000 0.843097 Mg\n0.000000 0.000000 0.835654 Mg\n0.500000 0.248410 0.418785 Mg\n0.500000 0.751590 0.418785 Mg\n0.000000 0.741624 0.075777 Mg\n0.000000 0.258376 0.075777 Mg\n0.000000 0.000000 0.343097 Mg\n0.000000 0.500000 0.335654 Mg\n0.500000 0.000000 0.661321 Sb\n0.500000 0.500000 0.161321 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
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],
"chemical_system": "Mg-Sb-Sr",
"density": 2.817441589656105,
"density_atomic": 0.038212955360154656,
"volume": 418.70616520499465,
"volume_molar": 15.759421649651827,
"formula_full": "Sr2 Mg12 Sb2",
"formula_reduced": "SrMg6Sb",
"formula_anonymous": "ABC6",
"energy": -32.49648269,
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"updated_at": "2021-11-28T01:37:46.522000Z",
"spacegroup": 38
},
{
"id": "mp-1016352",
"created_at": "2022-09-04T14:43:11.449976Z",
"structure_string": "Sr2 Mg12 Bi2\n1.0\n5.245592 0.000000 0.000000\n0.000000 6.999890 0.000000\n0.000000 0.000000 11.832525\nSr Mg Bi\n2 12 2\ndirect\n0.000000 0.500000 0.329563 Sr\n0.000000 0.000000 0.829563 Sr\n0.000000 0.241792 0.077760 Mg\n0.000000 0.758208 0.077760 Mg\n0.000000 0.500000 0.839953 Mg\n0.500000 0.275095 0.924391 Mg\n0.500000 0.724905 0.924391 Mg\n0.500000 0.500000 0.668792 Mg\n0.000000 0.741792 0.577760 Mg\n0.000000 0.258208 0.577760 Mg\n0.000000 0.000000 0.339953 Mg\n0.500000 0.775095 0.424391 Mg\n0.500000 0.224905 0.424391 Mg\n0.500000 0.000000 0.168792 Mg\n0.500000 0.500000 0.157389 Bi\n0.500000 0.000000 0.657389 Bi\n",
"nsites": 16,
"nelements": 3,
"elements": [
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],
"chemical_system": "Bi-Mg-Sr",
"density": 3.381901069313731,
"density_atomic": 0.03682619328660953,
"volume": 434.4733618127672,
"volume_molar": 16.35287338316808,
"formula_full": "Sr2 Mg12 Bi2",
"formula_reduced": "SrMg6Bi",
"formula_anonymous": "ABC6",
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"updated_at": "2021-11-28T01:36:17.652000Z",
"spacegroup": 38
},
{
"id": "mp-1016346",
"created_at": "2022-09-04T14:41:17.034114Z",
"structure_string": "Ce1 Mg7\n1.0\n3.377676 -5.850307 0.000000\n3.377676 5.850307 0.000000\n0.000000 0.000000 5.207172\nCe Mg\n1 7\ndirect\n0.666667 0.333333 0.000000 Ce\n0.170647 0.341295 0.000000 Mg\n0.170647 0.829353 0.000000 Mg\n0.658705 0.829353 0.000000 Mg\n0.007001 0.503500 0.500000 Mg\n0.496500 0.503500 0.500000 Mg\n0.496500 0.992999 0.500000 Mg\n0.000000 0.000000 0.500000 Mg\n",
"nsites": 8,
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"elements": [
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],
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"density": 2.5034200366651373,
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"volume": 205.79203585747626,
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"formula_full": "Ce1 Mg7",
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"updated_at": "2021-11-28T01:35:18.441000Z",
"spacegroup": 187
},
{
"id": "mp-1016343",
"created_at": "2022-09-04T14:44:17.795002Z",
"structure_string": "Ba2 Sr2 Mg12\n1.0\n5.514253 0.000000 0.000000\n0.000000 7.232528 0.000000\n0.000000 0.000000 12.364497\nBa Sr Mg\n2 2 12\ndirect\n0.500000 0.500000 0.155293 Ba\n0.500000 0.000000 0.655293 Ba\n0.000000 0.500000 0.345994 Sr\n0.000000 0.000000 0.845994 Sr\n0.000000 0.231636 0.085268 Mg\n0.000000 0.768364 0.085268 Mg\n0.000000 0.500000 0.835986 Mg\n0.500000 0.257918 0.915369 Mg\n0.500000 0.742082 0.915369 Mg\n0.500000 0.500000 0.661454 Mg\n0.000000 0.731636 0.585268 Mg\n0.000000 0.268364 0.585268 Mg\n0.000000 0.000000 0.335986 Mg\n0.500000 0.757918 0.415369 Mg\n0.500000 0.242082 0.415369 Mg\n0.500000 0.000000 0.161454 Mg\n",
"nsites": 16,
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"elements": [
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],
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"density": 2.497115405795814,
"density_atomic": 0.03244641490246421,
"volume": 493.1207360843077,
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"formula_full": "Ba2 Sr2 Mg12",
"formula_reduced": "BaSrMg6",
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"updated_at": "2021-11-28T01:36:33.998000Z",
"spacegroup": 38
},
{
"id": "mp-1016342",
"created_at": "2022-09-04T14:42:17.243093Z",
"structure_string": "Sr2 Mg12 Sb2\n1.0\n5.190190 0.000000 0.000000\n0.000000 6.954601 0.000000\n0.000000 0.000000 11.657676\nSr Mg Sb\n2 12 2\ndirect\n0.000000 0.500000 0.328415 Sr\n0.000000 0.000000 0.828415 Sr\n0.000000 0.246813 0.078332 Mg\n0.000000 0.753187 0.078332 Mg\n0.000000 0.500000 0.839394 Mg\n0.500000 0.276671 0.925771 Mg\n0.500000 0.723329 0.925771 Mg\n0.500000 0.500000 0.668193 Mg\n0.000000 0.746813 0.578332 Mg\n0.000000 0.253187 0.578332 Mg\n0.000000 0.000000 0.339394 Mg\n0.500000 0.776671 0.425771 Mg\n0.500000 0.223329 0.425771 Mg\n0.500000 0.000000 0.168193 Mg\n0.500000 0.500000 0.155793 Sb\n0.500000 0.000000 0.655793 Sb\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Mg-Sb-Sr",
"density": 2.8034758590443287,
"density_atomic": 0.03802353818025674,
"volume": 420.7919821703443,
"volume_molar": 15.837928420682646,
"formula_full": "Sr2 Mg12 Sb2",
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"updated_at": "2021-11-28T01:35:44.351000Z",
"spacegroup": 38
},
{
"id": "mp-1016338",
"created_at": "2022-09-04T14:41:46.371219Z",
"structure_string": "Sr2 Mg12 Cd2\n1.0\n5.246933 0.000000 0.000000\n0.000000 6.682835 0.000000\n0.000000 0.000000 11.877265\nSr Mg Cd\n2 12 2\ndirect\n0.500000 0.000000 0.168733 Sr\n0.500000 0.500000 0.668733 Sr\n0.500000 0.243699 0.418922 Mg\n0.500000 0.756301 0.418922 Mg\n0.000000 0.736434 0.079335 Mg\n0.000000 0.263566 0.079335 Mg\n0.000000 0.000000 0.341889 Mg\n0.000000 0.500000 0.332251 Mg\n0.500000 0.743699 0.918922 Mg\n0.500000 0.256301 0.918922 Mg\n0.000000 0.236434 0.579335 Mg\n0.000000 0.763566 0.579335 Mg\n0.000000 0.500000 0.841889 Mg\n0.000000 0.000000 0.832251 Mg\n0.500000 0.500000 0.160610 Cd\n0.500000 0.000000 0.660610 Cd\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Cd-Mg-Sr",
"density": 2.7580236286696627,
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"volume": 416.46902234145443,
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"formula_full": "Sr2 Mg12 Cd2",
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"spacegroup": 38
},
{
"id": "mp-1016337",
"created_at": "2022-09-04T14:40:18.929304Z",
"structure_string": "Sr1 Mg6 B1\n1.0\n3.121755 -7.819235 0.000000\n3.121755 7.819235 0.000000\n0.000000 0.000000 3.979977\nSr Mg B\n1 6 1\ndirect\n0.224207 0.775793 0.000000 Sr\n0.187571 0.361933 0.000000 Mg\n0.638067 0.812429 0.000000 Mg\n0.649465 0.350535 0.000000 Mg\n0.292136 0.201026 0.500000 Mg\n0.798974 0.707864 0.500000 Mg\n0.806945 0.193055 0.500000 Mg\n0.402636 0.597364 0.500000 B\n",
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"updated_at": "2021-11-28T01:34:52.326000Z",
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}
]
}