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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3547",
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"results": [
{
"id": "jvasp-19964",
"created_at": "2022-09-04T14:37:43.064229Z",
"updated_at": "2022-09-04T14:37:43.064257Z",
"structure_string": "Lu2 Ir4\n1.0\n4.596686 -0.000000 2.653898\n1.532229 4.333797 2.653898\n-0.000000 -0.000000 5.307796\nLu Ir\n2 4\ndirect\n0.125000 0.125000 0.125000 Lu\n0.875001 0.875001 0.875001 Lu\n0.000000 0.500000 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.500000 0.500000 0.000000 Ir\n0.500000 0.500000 0.500000 Ir\n",
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"elements": [
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{
"id": "jvasp-19741",
"created_at": "2022-09-04T14:38:32.467227Z",
"updated_at": "2022-09-04T14:38:32.467248Z",
"structure_string": "Lu1 Ir1\n1.0\n3.343692 -0.000000 0.000000\n-0.000000 3.343692 -0.000000\n-0.000000 -0.000000 3.343692\nLu Ir\n1 1\ndirect\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.000000 Ir\n",
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"elements": [
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"spacegroup": 221
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{
"id": "jvasp-41487",
"created_at": "2022-09-04T14:37:36.002577Z",
"updated_at": "2022-09-04T14:37:36.002601Z",
"structure_string": "Lu2 Ni1 Ir1\n1.0\n-0.000000 3.316471 3.316471\n3.316471 0.000000 3.316471\n3.316471 3.316471 0.000000\nLu Ni Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500001 0.500001 0.500001 Lu\n0.750000 0.750000 0.750000 Ni\n0.250000 0.250000 0.250000 Ir\n",
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"density_atomic": 0.05482787114400052,
"volume": 72.95559569501351,
"volume_molar": 10.983721662625536,
"formula_full": "Lu2 Ni1 Ir1",
"formula_reduced": "Lu2NiIr",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-79976",
"created_at": "2022-09-04T14:37:13.703991Z",
"updated_at": "2022-09-04T14:37:13.704022Z",
"structure_string": "Lu2 Ir1 Pd1\n1.0\n-0.000000 3.375358 3.375358\n3.375358 0.000000 3.375358\n3.375358 3.375358 0.000000\nLu Ir Pd\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500001 0.500001 0.500001 Lu\n0.249999 0.249999 0.249999 Ir\n0.750000 0.750000 0.750000 Pd\n",
"nsites": 4,
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"elements": [
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"Ir",
"Pd"
],
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"density": 14.002871432071476,
"density_atomic": 0.0520080378785107,
"volume": 76.91118840791276,
"volume_molar": 11.579250065283274,
"formula_full": "Lu2 Ir1 Pd1",
"formula_reduced": "Lu2IrPd",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.962844575,
"spacegroup": 225
},
{
"id": "jvasp-41693",
"created_at": "2022-09-04T14:37:40.000672Z",
"updated_at": "2022-09-04T14:37:40.000699Z",
"structure_string": "Lu2 Ir1 Rh1\n1.0\n0.000011 3.339559 3.339678\n3.339387 0.000036 3.339654\n3.339370 3.339519 0.000052\nLu Ir Rh\n2 1 1\ndirect\n0.000007 0.999995 0.999989 Lu\n0.499998 0.500011 0.499995 Lu\n0.249988 0.249987 0.250010 Ir\n0.750010 0.750006 0.750014 Rh\n",
"nsites": 4,
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"elements": [
"Lu",
"Ir",
"Rh"
],
"chemical_system": "Ir-Lu-Rh",
"density": 14.380304868252717,
"density_atomic": 0.05370085883531647,
"volume": 74.4867044355237,
"volume_molar": 11.214235471481002,
"formula_full": "Lu2 Ir1 Rh1",
"formula_reduced": "Lu2IrRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.2694339,
"spacegroup": 225
},
{
"id": "jvasp-41477",
"created_at": "2022-09-04T14:37:39.091696Z",
"updated_at": "2022-09-04T14:37:39.091728Z",
"structure_string": "Lu2 Ir1 Ru1\n1.0\n0.000000 3.326922 3.326922\n3.326922 0.000000 3.326922\n3.326922 3.326922 -0.000000\nLu Ir Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Lu\n0.499999 0.499999 0.499999 Lu\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
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"elements": [
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],
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"density": 14.502786711236157,
"density_atomic": 0.05431279328100525,
"volume": 73.64747342867588,
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"formula_full": "Lu2 Ir1 Ru1",
"formula_reduced": "Lu2IrRu",
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"spacegroup": 225
},
{
"id": "jvasp-98274",
"created_at": "2022-09-04T14:36:05.333745Z",
"updated_at": "2022-09-04T14:36:05.333764Z",
"structure_string": "Lu4 Si10 Ir6\n1.0\n5.417308 -0.000000 2.063340\n2.370209 7.510427 1.920259\n0.014101 -0.025067 8.106230\nLu Si Ir\n4 10 6\ndirect\n0.631513 0.096046 0.640929 Lu\n0.368487 0.903954 0.359071 Lu\n0.868487 0.359071 0.903954 Lu\n0.131513 0.640929 0.096046 Lu\n0.750000 -0.000000 -0.000000 Si\n0.024222 0.725778 0.725778 Si\n0.394865 0.448776 0.761494 Si\n0.105135 0.238506 0.551224 Si\n0.605135 0.551224 0.238506 Si\n0.250000 -0.000000 -0.000000 Si\n0.475778 0.274222 0.274222 Si\n0.894865 0.761494 0.448776 Si\n0.975778 0.274222 0.274222 Si\n0.524222 0.725778 0.725778 Si\n0.250000 0.500000 0.500000 Ir\n0.140283 0.976003 0.743431 Ir\n0.359717 0.256569 0.023997 Ir\n0.640283 0.743431 0.976003 Ir\n0.859717 0.023997 0.256569 Ir\n0.750000 0.500000 0.500000 Ir\n",
"nsites": 20,
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"elements": [
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"Si",
"Ir"
],
"chemical_system": "Ir-Lu-Si",
"density": 10.747002068441146,
"density_atomic": 0.060655296190559684,
"volume": 329.7321298566633,
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"formula_full": "Lu4 Si10 Ir6",
"formula_reduced": "Lu2Si5Ir3",
"formula_anonymous": "A2B3C5",
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"spacegroup": 72
},
{
"id": "jvasp-23796",
"created_at": "2022-09-04T14:37:49.221131Z",
"updated_at": "2022-09-04T14:37:49.221146Z",
"structure_string": "Lu4 Si4 Ir4\n1.0\n4.181152 -0.000000 0.000000\n-0.000000 6.706701 0.000000\n0.000000 0.000000 7.409922\nLu Si Ir\n4 4 4\ndirect\n0.750000 0.504871 0.811954 Lu\n0.250000 0.995129 0.311954 Lu\n0.750000 0.004871 0.688046 Lu\n0.250000 0.495129 0.188046 Lu\n0.250000 0.705517 0.612083 Si\n0.250000 0.205517 0.887916 Si\n0.750000 0.294483 0.387916 Si\n0.750000 0.794483 0.112083 Si\n0.250000 0.838204 0.933312 Ir\n0.250000 0.338204 0.566687 Ir\n0.750000 0.661795 0.433312 Ir\n0.750000 0.161795 0.066687 Ir\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Si",
"Ir"
],
"chemical_system": "Ir-Lu-Si",
"density": 12.6352504807384,
"density_atomic": 0.05775142551537103,
"volume": 207.78707872424894,
"volume_molar": 10.427691968221906,
"formula_full": "Lu4 Si4 Ir4",
"formula_reduced": "LuSiIr",
"formula_anonymous": "ABC",
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"spacegroup": 62
},
{
"id": "jvasp-79407",
"created_at": "2022-09-04T14:36:38.784502Z",
"updated_at": "2022-09-04T14:36:38.784532Z",
"structure_string": "Tm1 Lu1 Ir2\n1.0\n0.000000 3.357950 3.357950\n3.357950 -0.000000 3.357950\n3.357950 3.357950 -0.000000\nTm Lu Ir\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Tm\n0.250001 0.250001 0.250001 Lu\n0.000000 0.000000 0.000000 Ir\n0.499999 0.499999 0.499999 Ir\n",
"nsites": 4,
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"elements": [
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"Lu",
"Ir"
],
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"density": 15.970839007759459,
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"volume": 75.72733462516976,
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"formula_full": "Tm1 Lu1 Ir2",
"formula_reduced": "TmLuIr2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-41442",
"created_at": "2022-09-04T14:37:38.071392Z",
"updated_at": "2022-09-04T14:37:38.071414Z",
"structure_string": "Lu2 Zn1 Ir1\n1.0\n0.000000 3.392998 3.392998\n3.392998 0.000000 3.392998\n3.392998 3.392998 0.000000\nLu Zn Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500001 0.500001 0.500001 Lu\n0.749999 0.749999 0.749999 Zn\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
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"Zn",
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],
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"volume": 78.12334076469344,
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"formula_full": "Lu2 Zn1 Ir1",
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},
{
"id": "jvasp-21730",
"created_at": "2022-09-04T14:37:29.558540Z",
"updated_at": "2022-09-04T14:37:29.558565Z",
"structure_string": "Mg4 Ir8\n1.0\n2.607190 -4.515785 0.000000\n2.607190 4.515785 -0.000000\n0.000000 -0.000000 8.443353\nMg Ir\n4 8\ndirect\n0.333333 0.666667 0.930834 Mg\n0.666667 0.333333 0.430834 Mg\n0.666667 0.333333 0.069166 Mg\n0.333333 0.666667 0.569166 Mg\n0.000000 0.000000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n0.827867 0.172133 0.750000 Ir\n0.172133 0.344265 0.250000 Ir\n0.655735 0.827867 0.250000 Ir\n0.344265 0.172133 0.750000 Ir\n0.827867 0.655735 0.750000 Ir\n0.172133 0.827867 0.250000 Ir\n",
"nsites": 12,
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],
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"density": 13.65539559773564,
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"formula_full": "Mg4 Ir8",
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"spacegroup": 194
},
{
"id": "jvasp-8724",
"created_at": "2022-09-04T14:37:04.334235Z",
"updated_at": "2022-09-04T14:37:04.334261Z",
"structure_string": "Mg6 Ir2\n1.0\n2.283124 -3.954487 -0.000000\n2.283124 3.954487 -0.000000\n0.000000 0.000000 8.246349\nMg Ir\n6 2\ndirect\n0.000000 0.000000 0.250000 Mg\n0.000000 0.000000 0.750000 Mg\n0.333332 0.666666 0.577715 Mg\n0.666666 0.333332 0.077715 Mg\n0.666666 0.333332 0.422286 Mg\n0.333332 0.666666 0.922286 Mg\n0.333332 0.666666 0.250000 Ir\n0.666666 0.333332 0.750000 Ir\n",
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]
}