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{
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"results": [
{
"id": "mp-981364",
"created_at": "2022-09-04T14:48:16.765026Z",
"structure_string": "Yb2 Sm6\n1.0\n3.684405 -6.381577 0.000000\n3.684405 6.381577 0.000000\n0.000000 0.000000 5.900180\nYb Sm\n2 6\ndirect\n0.333333 0.666667 0.750000 Yb\n0.666667 0.333333 0.250000 Yb\n0.164692 0.329383 0.250000 Sm\n0.670617 0.835308 0.250000 Sm\n0.164692 0.835308 0.250000 Sm\n0.835308 0.670617 0.750000 Sm\n0.329383 0.164692 0.750000 Sm\n0.835308 0.164692 0.750000 Sm\n",
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{
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"structure_string": "La1 Si2 Pd2\n1.0\n-2.152979 2.152979 4.990898\n2.152979 -2.152979 4.990898\n2.152979 2.152979 -4.990898\nLa Si Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 La\n0.620411 0.620411 0.000000 Si\n0.379589 0.379589 0.000000 Si\n0.250000 0.750000 0.500000 Pd\n0.750000 0.250000 0.500000 Pd\n",
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"elements": [
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{
"id": "mp-976848",
"created_at": "2022-09-04T14:43:55.139429Z",
"structure_string": "Ni1 Ru1 O3\n1.0\n3.717644 0.000000 0.000000\n0.000000 3.717644 0.000000\n0.000000 0.000000 3.717644\nNi Ru O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ru\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
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"elements": [
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"Ru",
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"density": 6.7144582836993925,
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"volume": 51.38110012193622,
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"formula_full": "Ni1 Ru1 O3",
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"formula_anonymous": "ABC3",
"energy": -30.70383187,
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"updated_at": "2021-11-28T01:36:22.785000Z",
"spacegroup": 221
},
{
"id": "mp-1038971",
"created_at": "2022-09-04T14:40:42.817779Z",
"structure_string": "Ce5 Mg1\n1.0\n5.775958 -2.919850 0.000000\n5.775958 2.919850 0.000000\n4.299922 0.000000 4.837136\nCe Mg\n5 1\ndirect\n0.000000 0.671545 0.328455 Ce\n0.167562 0.167562 0.167562 Ce\n0.328455 0.000000 0.671545 Ce\n0.671545 0.328455 0.000000 Ce\n0.832438 0.832438 0.832438 Ce\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Ce-Mg",
"density": 7.377604145331468,
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"volume": 163.15592942920904,
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"formula_full": "Ce5 Mg1",
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"energy_per_atom": -5.117160275,
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"spacegroup": 155
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{
"id": "mp-1221890",
"created_at": "2022-09-04T14:45:08.416291Z",
"structure_string": "Mn2 Cd1 Te3\n1.0\n2.038287 -3.530417 0.000000\n2.038287 3.530417 0.000000\n0.000000 0.000000 10.464250\nMn Cd Te\n2 1 3\ndirect\n0.333333 0.666667 0.659367 Mn\n0.666667 0.333333 0.340633 Mn\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 Te\n0.333333 0.666667 0.190909 Te\n0.666667 0.333333 0.809091 Te\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Cd-Mn-Te",
"density": 6.671715856683583,
"density_atomic": 0.039840227310310505,
"volume": 150.60155036934796,
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"formula_full": "Mn2 Cd1 Te3",
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"formula_anonymous": "AB2C3",
"energy": -30.70252793,
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"updated_at": "2021-11-28T01:36:50.314000Z",
"spacegroup": 164
},
{
"id": "mp-1070151",
"created_at": "2022-09-04T14:41:20.887434Z",
"structure_string": "K1 Fe2 S2\n1.0\n-1.846593 1.846593 6.422182\n1.846593 -1.846593 6.422182\n1.846593 1.846593 -6.422182\nK Fe S\n1 2 2\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.250000 0.500000 Fe\n0.250000 0.750000 0.500000 Fe\n0.658635 0.658635 0.000000 S\n0.341365 0.341365 0.000000 S\n",
"nsites": 5,
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"elements": [
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"Fe",
"S"
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"density": 4.074154778309566,
"density_atomic": 0.057080140596416466,
"volume": 87.59614022944267,
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"formula_full": "K1 Fe2 S2",
"formula_reduced": "K(FeS)2",
"formula_anonymous": "AB2C2",
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"updated_at": "2021-11-28T01:35:13.199000Z",
"spacegroup": 139
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{
"id": "mp-1113563",
"created_at": "2022-09-04T14:40:57.637100Z",
"structure_string": "Rb2 Al1 Hg1 Br6\n1.0\n0.000000 5.552305 5.552305\n5.552305 0.000000 5.552305\n5.552305 5.552305 0.000000\nRb Al Hg Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Hg\n0.770408 0.229592 0.229592 Br\n0.229592 0.229592 0.770408 Br\n0.229592 0.770408 0.770408 Br\n0.229592 0.770408 0.229592 Br\n0.770408 0.229592 0.770408 Br\n0.770408 0.770408 0.229592 Br\n",
"nsites": 10,
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"elements": [
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"Br"
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"density": 4.258529011408227,
"density_atomic": 0.029211244502618115,
"volume": 342.3339255232255,
"volume_molar": 20.615830864242206,
"formula_full": "Rb2 Al1 Hg1 Br6",
"formula_reduced": "Rb2AlHgBr6",
"formula_anonymous": "ABC2D6",
"energy": -30.70020666,
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"spacegroup": 225
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{
"id": "mp-1026851",
"created_at": "2022-09-04T14:41:22.518659Z",
"structure_string": "K1 Mg14 Nb1\n1.0\n6.531397 0.000000 0.000000\n-3.265698 5.656355 -0.000000\n-0.000000 0.000000 10.206431\nK Mg Nb\n1 14 1\ndirect\n0.166667 0.333333 0.125000 K\n0.173426 0.836713 0.125000 Mg\n0.165878 0.832938 0.625000 Mg\n0.663287 0.326574 0.125000 Mg\n0.667062 0.334122 0.625000 Mg\n0.663287 0.836713 0.125000 Mg\n0.667062 0.832938 0.625000 Mg\n0.333289 0.166711 0.390355 Mg\n0.333289 0.166711 0.859645 Mg\n0.333289 0.666579 0.390355 Mg\n0.333289 0.666579 0.859645 Mg\n0.833421 0.166711 0.390355 Mg\n0.833421 0.166711 0.859645 Mg\n0.833333 0.666667 0.372066 Mg\n0.833333 0.666667 0.877934 Mg\n0.166667 0.333333 0.625000 Nb\n",
"nsites": 16,
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],
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"density": 2.0798265364743322,
"density_atomic": 0.04243296096537745,
"volume": 377.0653670163382,
"volume_molar": 14.192129474334063,
"formula_full": "K1 Mg14 Nb1",
"formula_reduced": "KMg14Nb",
"formula_anonymous": "ABC14",
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"updated_at": "2021-11-28T01:35:21.287000Z",
"spacegroup": 187
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{
"id": "mp-1112647",
"created_at": "2022-09-04T14:42:22.110901Z",
"structure_string": "Cs3 Tl1 Br6\n1.0\n0.000000 6.185146 6.185146\n6.185146 0.000000 6.185146\n6.185146 6.185146 0.000000\nCs Tl Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 Tl\n0.774837 0.225163 0.225163 Br\n0.225163 0.225163 0.774837 Br\n0.225163 0.774837 0.774837 Br\n0.225163 0.774837 0.225163 Br\n0.774837 0.225163 0.774837 Br\n0.774837 0.774837 0.225163 Br\n",
"nsites": 10,
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"elements": [
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"density": 3.798451893579308,
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"volume": 473.23827474214283,
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"formula_full": "Cs3 Tl1 Br6",
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"spacegroup": 225
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{
"id": "mp-1039084",
"created_at": "2022-09-04T14:42:48.711738Z",
"structure_string": "Ce5 Mg1\n1.0\n2.893035 -5.010884 0.000000\n2.893035 5.010884 0.000000\n0.000000 0.000000 5.498171\nCe Mg\n5 1\ndirect\n0.000000 0.345542 0.000000 Ce\n0.654458 0.654458 0.000000 Ce\n0.345542 0.000000 0.000000 Ce\n0.666667 0.333333 0.500000 Ce\n0.333333 0.666667 0.500000 Ce\n0.000000 0.000000 0.500000 Mg\n",
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{
"id": "mp-1206125",
"created_at": "2022-09-04T14:44:41.948552Z",
"structure_string": "Sm1 P2 Pd2\n1.0\n-2.069418 2.069418 4.984485\n2.069418 -2.069418 4.984485\n2.069418 2.069418 -4.984485\nSm P Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.387959 0.387959 0.000000 P\n0.612041 0.612041 0.000000 P\n0.750000 0.250000 0.500000 Pd\n0.250000 0.750000 0.500000 Pd\n",
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"volume": 85.3840457917876,
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"formula_full": "Sm1 P2 Pd2",
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"updated_at": "2021-11-28T01:36:46.069000Z",
"spacegroup": 139
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{
"id": "mp-861951",
"created_at": "2022-09-04T14:44:14.909330Z",
"structure_string": "Li1 Ta1 Rh2\n1.0\n0.000000 3.072627 3.072627\n3.072627 0.000000 3.072627\n3.072627 3.072627 0.000000\nLi Ta Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
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"density": 11.268208043868844,
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"formula_full": "Li1 Ta1 Rh2",
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]
}