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{
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"results": [
{
"id": "mp-23059",
"created_at": "2022-09-04T14:46:12.501544Z",
"structure_string": "Rb2 Sn1 Cl6\n1.0\n0.000000 5.207218 5.207218\n5.207218 0.000000 5.207218\n5.207218 5.207218 0.000000\nRb Sn Cl\n2 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sn\n0.762506 0.762506 0.237494 Cl\n0.762506 0.237494 0.762506 Cl\n0.237494 0.762506 0.237494 Cl\n0.237494 0.237494 0.762506 Cl\n0.237494 0.762506 0.762506 Cl\n0.762506 0.237494 0.237494 Cl\n",
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{
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"structure_string": "Sc2 Os1 Rh1\n1.0\n0.000000 3.227146 3.227146\n3.227146 0.000000 3.227146\n3.227146 3.227146 0.000000\nSc Os Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.500000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Rh\n",
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},
{
"id": "mp-1077398",
"created_at": "2022-09-04T14:42:40.219786Z",
"structure_string": "Tb2 Si4\n1.0\n-2.006284 2.006284 7.238916\n2.006284 -2.006284 7.238916\n2.006284 2.006284 -7.238916\nTb Si\n2 4\ndirect\n0.250000 0.750000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.832742 0.332742 0.500000 Si\n0.917258 0.917258 0.000000 Si\n0.667258 0.167258 0.500000 Si\n0.082742 0.082742 0.000000 Si\n",
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"volume": 116.55162899055892,
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"formula_full": "Tb2 Si4",
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"updated_at": "2021-11-28T01:35:50.989000Z",
"spacegroup": 141
},
{
"id": "mp-1223228",
"created_at": "2022-09-04T14:43:13.680782Z",
"structure_string": "La2 Cu1 Si3\n1.0\n2.075107 -3.594191 0.000000\n2.075107 3.594191 0.000000\n0.000000 0.000000 8.631756\nLa Cu Si\n2 1 3\ndirect\n0.333333 0.666667 0.248123 La\n0.333333 0.666667 0.751877 La\n0.666667 0.333333 0.000000 Cu\n0.666667 0.333333 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Cu-La-Si",
"density": 5.489005075006809,
"density_atomic": 0.04659941359765612,
"volume": 128.75698505145547,
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"formula_full": "La2 Cu1 Si3",
"formula_reduced": "La2CuSi3",
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"energy": -34.05346191,
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"updated_at": "2021-11-28T01:36:01.391000Z",
"spacegroup": 187
},
{
"id": "mp-1112191",
"created_at": "2022-09-04T14:47:58.051039Z",
"structure_string": "K2 Al1 In1 Br6\n1.0\n0.000000 5.632599 5.632599\n5.632599 0.000000 5.632599\n5.632599 5.632599 0.000000\nK Al In Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 In\n0.775130 0.224870 0.224870 Br\n0.224870 0.224870 0.775130 Br\n0.224870 0.775130 0.775130 Br\n0.224870 0.775130 0.224870 Br\n0.775130 0.224870 0.775130 Br\n0.775130 0.775130 0.224870 Br\n",
"nsites": 10,
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"elements": [
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"Br"
],
"chemical_system": "Al-Br-In-K",
"density": 3.2496061914192387,
"density_atomic": 0.02797972895837488,
"volume": 357.4016036708892,
"volume_molar": 21.523227651558276,
"formula_full": "K2 Al1 In1 Br6",
"formula_reduced": "K2AlInBr6",
"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:38:19.510000Z",
"spacegroup": 225
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{
"id": "mp-1206177",
"created_at": "2022-09-04T14:39:23.484488Z",
"structure_string": "Y2 Sn2 Ge2\n1.0\n2.131919 -8.210838 0.000000\n2.131919 8.210838 0.000000\n0.000000 0.000000 4.104242\nY Sn Ge\n2 2 2\ndirect\n0.405507 0.594493 0.250000 Y\n0.594493 0.405507 0.750000 Y\n0.754788 0.245212 0.250000 Sn\n0.245212 0.754788 0.750000 Sn\n0.053475 0.946525 0.250000 Ge\n0.946525 0.053475 0.750000 Ge\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Ge-Sn-Y",
"density": 6.477577834680163,
"density_atomic": 0.04175707895244355,
"volume": 143.68821168820983,
"volume_molar": 14.421843938984614,
"formula_full": "Y2 Sn2 Ge2",
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"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:34:41.746000Z",
"spacegroup": 63
},
{
"id": "mp-10601",
"created_at": "2022-09-04T14:41:48.994184Z",
"structure_string": "Y3 Ga1 C1\n1.0\n4.870727 0.000000 0.000000\n0.000000 4.870727 0.000000\n0.000000 0.000000 4.870727\nY Ga C\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Y\n0.500000 0.500000 0.000000 Y\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
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],
"chemical_system": "C-Ga-Y",
"density": 5.007370875272337,
"density_atomic": 0.04327017374573254,
"volume": 115.55303728109291,
"volume_molar": 13.917533115045382,
"formula_full": "Y3 Ga1 C1",
"formula_reduced": "Y3GaC",
"formula_anonymous": "ABC3",
"energy": -34.04711395,
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"updated_at": "2021-11-28T01:35:41.704000Z",
"spacegroup": 221
},
{
"id": "mp-1206080",
"created_at": "2022-09-04T14:44:29.306643Z",
"structure_string": "Zr2 Zn4 Ge2\n1.0\n-2.001446 2.001446 8.572971\n2.001446 -2.001446 8.572971\n2.001446 2.001446 -8.572971\nZr Zn Ge\n2 4 2\ndirect\n0.126104 0.126104 0.000000 Zr\n0.873896 0.873896 0.000000 Zr\n0.394735 0.394735 0.000000 Zn\n0.605265 0.605265 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.750000 0.250000 0.500000 Ge\n0.250000 0.750000 0.500000 Ge\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Ge-Zn-Zr",
"density": 7.124487054428694,
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"volume": 137.36595195850495,
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"formula_full": "Zr2 Zn4 Ge2",
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"updated_at": "2021-11-28T01:36:44.970000Z",
"spacegroup": 139
},
{
"id": "mp-1016275",
"created_at": "2022-09-04T14:39:42.262883Z",
"structure_string": "Cs2 Hf2 Mg12\n1.0\n5.346526 0.000000 0.000000\n0.000000 7.223205 0.000000\n0.000000 0.000000 11.217061\nCs Hf Mg\n2 2 12\ndirect\n0.000000 0.500000 0.370622 Cs\n0.000000 0.000000 0.870622 Cs\n0.500000 0.500000 0.148590 Hf\n0.500000 0.000000 0.648590 Hf\n0.000000 0.292153 0.096615 Mg\n0.000000 0.707847 0.096615 Mg\n0.000000 0.500000 0.823177 Mg\n0.500000 0.289738 0.909246 Mg\n0.500000 0.710262 0.909246 Mg\n0.500000 0.500000 0.645889 Mg\n0.000000 0.792153 0.596615 Mg\n0.000000 0.207847 0.596615 Mg\n0.000000 0.000000 0.323177 Mg\n0.500000 0.789738 0.409246 Mg\n0.500000 0.210262 0.409246 Mg\n0.500000 0.000000 0.145889 Mg\n",
"nsites": 16,
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{
"id": "mp-1019315",
"created_at": "2022-09-04T14:44:08.777372Z",
"structure_string": "Tb2 Sb2 Pd2\n1.0\n2.290741 -3.967681 0.000000\n2.290741 3.967681 0.000000\n0.000000 0.000000 7.645873\nTb Sb Pd\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Tb\n0.000000 0.000000 0.000000 Tb\n0.333333 0.666667 0.750000 Sb\n0.666667 0.333333 0.250000 Sb\n0.333333 0.666667 0.250000 Pd\n0.666667 0.333333 0.750000 Pd\n",
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{
"id": "mp-9579",
"created_at": "2022-09-04T14:46:07.165832Z",
"structure_string": "Al2 Tl2 Se4\n1.0\n-4.131432 4.131432 3.217552\n4.131432 -4.131432 3.217552\n4.131432 4.131432 -3.217552\nAl Tl Se\n2 2 4\ndirect\n0.750000 0.250000 0.500000 Al\n0.250000 0.750000 0.500000 Al\n0.750000 0.750000 0.000000 Tl\n0.250000 0.250000 0.000000 Tl\n0.343126 0.156874 0.500000 Se\n0.843126 0.343126 0.186253 Se\n0.656874 0.843126 0.500000 Se\n0.156874 0.656874 0.813747 Se\n",
"nsites": 8,
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"volume": 219.678110165848,
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"formula_full": "Al2 Tl2 Se4",
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"spacegroup": 140
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{
"id": "mp-568404",
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"structure_string": "Li9 Al4\n1.0\n2.235503 9.345034 0.000000\n-2.235503 9.345034 0.000000\n0.000000 1.411149 5.179652\nLi Al\n9 4\ndirect\n0.767105 0.767105 0.842594 Li\n0.692059 0.692059 0.472885 Li\n0.307941 0.307941 0.527115 Li\n0.456448 0.456448 0.325860 Li\n0.232895 0.232895 0.157406 Li\n0.543552 0.543552 0.674140 Li\n0.000000 0.000000 0.000000 Li\n0.085902 0.085902 0.359347 Li\n0.914098 0.914098 0.640653 Li\n0.385706 0.385706 0.934058 Al\n0.614294 0.614294 0.065942 Al\n0.849180 0.849180 0.216684 Al\n0.150820 0.150820 0.783316 Al\n",
"nsites": 13,
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"volume": 216.41468194350344,
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"formula_full": "Li9 Al4",
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}
]
}