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{
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"results": [
{
"id": "mp-1093551",
"created_at": "2022-09-04T14:41:03.909439Z",
"structure_string": "Mg1 Pd2 Au1\n1.0\n-5.066613 5.484235 7.748001\n5.066613 -5.484235 7.748001\n5.066613 5.484235 -7.748001\nMg Pd Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.245650 0.245650 Pd\n0.000000 0.754350 0.754350 Pd\n0.000000 0.500000 0.500000 Au\n",
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{
"id": "mp-1096467",
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"updated_at": "2021-11-28T01:37:38.305000Z",
"spacegroup": 71
},
{
"id": "mp-1097488",
"created_at": "2022-09-04T14:39:07.799425Z",
"structure_string": "Hf1 Tc2 Mo1\n1.0\n-4.551646 5.796704 8.158636\n4.551646 -5.796704 8.158636\n4.551646 5.796704 -8.158636\nHf Tc Mo\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.243173 0.243173 Tc\n0.000000 0.756827 0.756827 Tc\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 4,
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"elements": [
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"Mo"
],
"chemical_system": "Hf-Mo-Tc",
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"volume": 861.0475808457496,
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"formula_full": "Hf1 Tc2 Mo1",
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"updated_at": "2021-11-28T01:34:35.481000Z",
"spacegroup": 71
},
{
"id": "mp-1097200",
"created_at": "2022-09-04T14:44:25.481802Z",
"structure_string": "Ti1 Ga1 Au2\n1.0\n-5.153338 5.445981 7.669592\n5.153338 -5.445981 7.669592\n5.153338 5.445981 -7.669592\nTi Ga Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Ga\n0.000000 0.254534 0.254534 Au\n0.000000 0.745466 0.745465 Au\n",
"nsites": 4,
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"elements": [
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"Ga",
"Au"
],
"chemical_system": "Au-Ga-Ti",
"density": 0.9865460861311172,
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"volume": 860.9878099561308,
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"formula_full": "Ti1 Ga1 Au2",
"formula_reduced": "TiGaAu2",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:41.486000Z",
"spacegroup": 71
},
{
"id": "mp-1097296",
"created_at": "2022-09-04T14:42:53.138622Z",
"structure_string": "Al1 Sn1 Ru2\n1.0\n-4.990135 5.520291 7.809820\n4.990135 -5.520291 7.809820\n4.990135 5.520291 -7.809820\nAl Sn Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Sn\n0.000000 0.243848 0.243848 Ru\n0.000000 0.756152 0.756152 Ru\n",
"nsites": 4,
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"elements": [
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"density": 0.671185819945509,
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"volume": 860.5483627287865,
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"formula_full": "Al1 Sn1 Ru2",
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"updated_at": "2021-11-28T01:35:53.945000Z",
"spacegroup": 71
},
{
"id": "mp-1097313",
"created_at": "2022-09-04T14:43:07.867354Z",
"structure_string": "Li1 Sn1 Pt2\n1.0\n-5.004584 5.512584 7.795757\n5.004584 -5.512584 7.795757\n5.004584 5.512584 -7.795757\nLi Sn Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Sn\n0.000000 0.257688 0.257688 Pt\n0.000000 0.742312 0.742312 Pt\n",
"nsites": 4,
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"elements": [
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"Sn",
"Pt"
],
"chemical_system": "Li-Pt-Sn",
"density": 0.9956459800379344,
"density_atomic": 0.0046496311620848815,
"volume": 860.2832914184125,
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"formula_full": "Li1 Sn1 Pt2",
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"band_gap": 0.1590000000000002,
"is_gap_direct": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.738000Z",
"spacegroup": 71
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{
"id": "mp-1096219",
"created_at": "2022-09-04T14:47:46.271009Z",
"structure_string": "Mg1 Ge1 Pd2\n1.0\n-4.944820 5.544852 7.840374\n4.944820 -5.544852 7.840374\n4.944820 5.544852 -7.840374\nMg Ge Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Ge\n0.000000 0.269437 0.269437 Pd\n0.000000 0.730563 0.730563 Pd\n",
"nsites": 4,
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"elements": [
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"Ge",
"Pd"
],
"chemical_system": "Ge-Mg-Pd",
"density": 0.5982356164901153,
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"volume": 859.8787510592501,
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"formula_full": "Mg1 Ge1 Pd2",
"formula_reduced": "MgGePd2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:22.208000Z",
"spacegroup": 71
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{
"id": "mp-1209570",
"created_at": "2022-09-04T14:44:22.834151Z",
"structure_string": "Tb4 B8 Ir8\n1.0\n19.809701 0.000000 0.000000\n0.000000 19.809701 0.000000\n0.000000 0.000000 10.953748\nTb B Ir\n4 8 8\ndirect\n0.250000 0.250000 0.250000 Tb\n0.750000 0.750000 0.250000 Tb\n0.750000 0.250000 0.750000 Tb\n0.250000 0.750000 0.750000 Tb\n0.600418 0.030411 0.125675 B\n0.399582 0.969589 0.125675 B\n0.530411 0.899582 0.625675 B\n0.899582 0.469589 0.374325 B\n0.469589 0.100418 0.625675 B\n0.100418 0.530411 0.374325 B\n0.969589 0.600418 0.874325 B\n0.030411 0.399582 0.874325 B\n0.106668 0.619582 0.362897 Ir\n0.893332 0.380418 0.362897 Ir\n0.119582 0.393332 0.862897 Ir\n0.393332 0.880418 0.137103 Ir\n0.880418 0.606668 0.862897 Ir\n0.606668 0.119582 0.137103 Ir\n0.380418 0.106668 0.637103 Ir\n0.619582 0.893332 0.637103 Ir\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"B",
"Ir"
],
"chemical_system": "B-Ir-Tb",
"density": 0.8730208469315517,
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"volume": 4298.516384220843,
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"formula_full": "Tb4 B8 Ir8",
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"updated_at": "2021-11-28T01:36:37.107000Z",
"spacegroup": 86
},
{
"id": "mp-1093584",
"created_at": "2022-09-04T14:41:33.986460Z",
"structure_string": "Cr1 Re1 W2\n1.0\n-5.205591 5.403384 7.640803\n5.205591 -5.403384 7.640803\n5.205591 5.403384 -7.640803\nCr Re W\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Re\n0.000000 0.276974 0.276974 W\n0.000000 0.723026 0.723026 W\n",
"nsites": 4,
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"elements": [
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"Re",
"W"
],
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"density": 1.1703157965811615,
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"volume": 859.6761321019578,
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"formula_full": "Cr1 Re1 W2",
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"energy": -27.98664932,
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"updated_at": "2021-11-28T01:35:28.518000Z",
"spacegroup": 71
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{
"id": "mp-1095787",
"created_at": "2022-09-04T14:40:30.916938Z",
"structure_string": "Sc1 Ag1 Pd2\n1.0\n-4.887019 5.576805 7.882554\n4.887019 -5.576805 7.882554\n4.887019 5.576805 -7.882554\nSc Ag Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Ag\n0.000000 0.226435 0.226435 Pd\n0.000000 0.773565 0.773565 Pd\n",
"nsites": 4,
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"spacegroup": 71
},
{
"id": "mp-1096714",
"created_at": "2022-09-04T14:46:10.503895Z",
"structure_string": "Zr1 Cr1 Tc2\n1.0\n-4.655429 5.660777 8.148627\n4.655429 -5.660777 8.148627\n4.655429 5.660777 -8.148627\nZr Cr Tc\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Cr\n0.000000 0.250490 0.250490 Tc\n0.000000 0.749510 0.749510 Tc\n",
"nsites": 4,
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"elements": [
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"updated_at": "2021-11-28T01:37:18.096000Z",
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},
{
"id": "mp-1096027",
"created_at": "2022-09-04T14:42:39.621391Z",
"structure_string": "Ti2 Zn1 Rh1\n1.0\n-5.005911 5.820380 7.368866\n5.005911 -5.820380 7.368866\n5.005911 5.820380 -7.368866\nTi Zn Rh\n2 1 1\ndirect\n0.000000 0.282624 0.282624 Ti\n0.000000 0.717376 0.717376 Ti\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
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"elements": [
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"Zn",
"Rh"
],
"chemical_system": "Rh-Ti-Zn",
"density": 0.5105493034034988,
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"volume": 858.806087490835,
"volume_molar": 129.29627861036707,
"formula_full": "Ti2 Zn1 Rh1",
"formula_reduced": "Ti2ZnRh",
"formula_anonymous": "ABC2",
"energy": -14.84066438,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:48.924000Z",
"spacegroup": 71
}
]
}