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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=1124",
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"results": [
{
"id": "jvasp-110874",
"created_at": "2022-09-04T14:38:38.105149Z",
"updated_at": "2022-09-04T14:38:38.105172Z",
"structure_string": "Ti2 Ga1 Tc1\n1.0\n3.825536 -0.000000 2.208674\n1.275179 3.606750 2.208674\n-0.000000 -0.000000 4.417349\nTi Ga Tc\n2 1 1\ndirect\n0.750001 0.750000 0.749998 Ti\n0.250000 0.250000 0.249999 Ti\n0.500001 0.500000 0.499999 Ga\n0.000000 0.000000 0.000000 Tc\n",
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{
"id": "jvasp-101030",
"created_at": "2022-09-04T14:36:46.446360Z",
"updated_at": "2022-09-04T14:36:46.446388Z",
"structure_string": "Ti1 Ga1 Tc2\n1.0\n3.770322 -0.000000 2.176797\n1.256774 3.554694 2.176797\n-0.000000 -0.000000 4.353593\nTi Ga Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.500001 Ga\n0.250000 0.250000 0.250001 Tc\n0.749999 0.749999 0.750002 Tc\n",
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"formula_full": "Ti1 Ga1 Tc2",
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{
"id": "jvasp-41569",
"created_at": "2022-09-04T14:37:51.918816Z",
"updated_at": "2022-09-04T14:37:51.918838Z",
"structure_string": "Ti1 Ga1 Ru2\n1.0\n-0.000000 3.049489 3.049489\n3.049489 0.000000 3.049489\n3.049489 3.049489 -0.000000\nTi Ga Ru\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Ti\n0.250001 0.250001 0.250001 Ga\n0.500000 0.500000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
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"elements": [
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],
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"density": 9.360979110551295,
"density_atomic": 0.07052592359133125,
"volume": 56.71673331324743,
"volume_molar": 8.538903786493929,
"formula_full": "Ti1 Ga1 Ru2",
"formula_reduced": "TiGaRu2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-116571",
"created_at": "2022-09-04T14:38:43.073276Z",
"updated_at": "2022-09-04T14:38:43.073301Z",
"structure_string": "Ti6 Ga16 Rh7\n1.0\n7.451477 -0.000000 4.302112\n2.483826 7.025320 4.302112\n-0.000000 -0.000000 8.604224\nTi Ga Rh\n6 16 7\ndirect\n0.699085 0.300915 0.300915 Ti\n0.699085 0.300915 0.699084 Ti\n0.699085 0.699085 0.300914 Ti\n0.300916 0.699085 0.699084 Ti\n0.300916 0.699085 0.300915 Ti\n0.300916 0.300915 0.699084 Ti\n0.646798 0.646798 0.646797 Ga\n0.646798 0.646798 0.059607 Ga\n0.646798 0.059607 0.646797 Ga\n0.059608 0.646798 0.646797 Ga\n0.353203 0.353202 0.353202 Ga\n0.353203 0.353202 0.940392 Ga\n0.353203 0.940393 0.353202 Ga\n0.940393 0.353202 0.353202 Ga\n0.876660 0.876659 0.370022 Ga\n0.876660 0.370023 0.876658 Ga\n0.370024 0.876659 0.876658 Ga\n0.123341 0.123341 0.123341 Ga\n0.123341 0.123341 0.629976 Ga\n0.123341 0.629977 0.123341 Ga\n0.629977 0.123341 0.123341 Ga\n0.876660 0.876659 0.876658 Ga\n0.000000 0.500000 -0.000000 Rh\n0.000000 0.000000 0.000000 Rh\n0.500000 0.000000 -0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.500001 0.500000 -0.000001 Rh\n0.000000 0.500000 0.499999 Rh\n0.000000 0.000000 0.500000 Rh\n",
"nsites": 29,
"nelements": 3,
"elements": [
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"Ga",
"Rh"
],
"chemical_system": "Ga-Rh-Ti",
"density": 7.82710395920627,
"density_atomic": 0.06438397906897815,
"volume": 450.4226116396236,
"volume_molar": 9.353477133726301,
"formula_full": "Ti6 Ga16 Rh7",
"formula_reduced": "Ti6Ga16Rh7",
"formula_anonymous": "A6B7C16",
"energy_above_hull": 1.5860061448275864,
"spacegroup": 225
},
{
"id": "jvasp-56870",
"created_at": "2022-09-04T14:38:35.746483Z",
"updated_at": "2022-09-04T14:38:35.746514Z",
"structure_string": "Ti1 Ga1 Rh1\n1.0\n3.606699 -0.000000 2.082329\n1.202233 3.400428 2.082329\n0.000000 0.000000 4.164657\nTi Ga Rh\n1 1 1\ndirect\n0.500000 0.500000 0.500001 Ti\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 3,
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"elements": [
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"Rh"
],
"chemical_system": "Ga-Rh-Ti",
"density": 7.168463960099667,
"density_atomic": 0.05873521094393175,
"volume": 51.07668725091973,
"volume_molar": 10.253033339317868,
"formula_full": "Ti1 Ga1 Rh1",
"formula_reduced": "TiGaRh",
"formula_anonymous": "ABC",
"energy_above_hull": 1.8008012194444447,
"spacegroup": 216
},
{
"id": "jvasp-40035",
"created_at": "2022-09-04T14:37:48.346619Z",
"updated_at": "2022-09-04T14:37:48.346638Z",
"structure_string": "Ti1 Ga1 Rh2\n1.0\n0.000000 3.061710 3.061710\n3.061710 0.000000 3.061710\n3.061710 3.061710 0.000000\nTi Ga Rh\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Ti\n0.250001 0.250001 0.250001 Ga\n0.000000 0.000000 0.000000 Rh\n0.499999 0.499999 0.499999 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Ga",
"Rh"
],
"chemical_system": "Ga-Rh-Ti",
"density": 9.355527986178007,
"density_atomic": 0.0696847646560812,
"volume": 57.40135623247643,
"volume_molar": 8.641976176171909,
"formula_full": "Ti1 Ga1 Rh2",
"formula_reduced": "TiGaRh2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-106612",
"created_at": "2022-09-04T14:36:50.282476Z",
"updated_at": "2022-09-04T14:36:50.282497Z",
"structure_string": "Ti2 Ga1 Re1\n1.0\n3.834704 -0.000000 2.213967\n1.278235 3.615394 2.213967\n-0.000000 -0.000000 4.427935\nTi Ga Re\n2 1 1\ndirect\n0.749999 0.749999 0.750001 Ti\n0.250000 0.250000 0.250000 Ti\n0.499999 0.499999 0.500001 Ga\n0.000000 0.000000 0.000000 Re\n",
"nsites": 4,
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"elements": [
"Ti",
"Ga",
"Re"
],
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"density": 9.512360321688668,
"density_atomic": 0.06515852954734569,
"volume": 61.38873955240975,
"volume_molar": 9.242290766589774,
"formula_full": "Ti2 Ga1 Re1",
"formula_reduced": "Ti2GaRe",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.4236067479166667,
"spacegroup": 225
},
{
"id": "jvasp-18262",
"created_at": "2022-09-04T14:38:10.052517Z",
"updated_at": "2022-09-04T14:38:10.052547Z",
"structure_string": "Ti2 Ga2 Pt2\n1.0\n2.205985 -3.820878 -0.000000\n2.205985 3.820878 0.000000\n-0.000000 0.000000 5.491922\nTi Ga Pt\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.333332 0.666666 0.250000 Ga\n0.666666 0.333332 0.750000 Ga\n0.333332 0.666666 0.750000 Pt\n0.666666 0.333332 0.250000 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"Ga",
"Pt"
],
"chemical_system": "Ga-Pt-Ti",
"density": 11.216330056478778,
"density_atomic": 0.06480838039051201,
"volume": 92.58061941752217,
"volume_molar": 9.292225363005128,
"formula_full": "Ti2 Ga2 Pt2",
"formula_reduced": "TiGaPt",
"formula_anonymous": "ABC",
"energy_above_hull": 1.5083806861111115,
"spacegroup": 194
},
{
"id": "jvasp-35323",
"created_at": "2022-09-04T14:37:33.940844Z",
"updated_at": "2022-09-04T14:37:33.940869Z",
"structure_string": "Ti2 Ga2 Pd2\n1.0\n2.216643 -3.839337 0.000000\n2.216643 3.839337 0.000000\n-0.000000 -0.000000 5.395504\nTi Ga Pd\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.333332 0.666667 0.749999 Ga\n0.666667 0.333332 0.250000 Ga\n0.333332 0.666667 0.250000 Pd\n0.666667 0.333332 0.749999 Pd\n",
"nsites": 6,
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"elements": [
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"Ga",
"Pd"
],
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"density": 8.100885554429434,
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"volume": 91.83622057360746,
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"formula_full": "Ti2 Ga2 Pd2",
"formula_reduced": "TiGaPd",
"formula_anonymous": "ABC",
"energy_above_hull": 1.2858021194444451,
"spacegroup": 194
},
{
"id": "jvasp-40023",
"created_at": "2022-09-04T14:37:40.662845Z",
"updated_at": "2022-09-04T14:37:40.662859Z",
"structure_string": "Ti1 Ga1 Pd2\n1.0\n-0.000000 3.124414 3.124414\n3.124414 -0.000000 3.124414\n3.124414 3.124414 0.000000\nTi Ga Pd\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Ti\n0.250001 0.250001 0.250001 Ga\n0.499998 0.499998 0.499998 Pd\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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],
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"density": 8.994827660588864,
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"formula_full": "Ti1 Ga1 Pd2",
"formula_reduced": "TiGaPd2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-120459",
"created_at": "2022-09-04T14:38:38.516310Z",
"updated_at": "2022-09-04T14:38:38.516330Z",
"structure_string": "Ti6 Ga16 Os7\n1.0\n7.493935 0.000000 4.326626\n2.497978 7.065350 4.326626\n0.000000 -0.000000 8.653251\nTi Ga Os\n6 16 7\ndirect\n0.788332 0.788332 0.211669 Ti\n0.211669 0.788332 0.211669 Ti\n0.788332 0.211668 0.211668 Ti\n0.211668 0.211668 0.788332 Ti\n0.788332 0.211668 0.788332 Ti\n0.211669 0.788332 0.788332 Ti\n0.377111 0.377111 0.377111 Ga\n0.868669 0.377111 0.377111 Ga\n0.377111 0.868668 0.377111 Ga\n0.377111 0.377111 0.868668 Ga\n0.622890 0.622889 0.622889 Ga\n0.131332 0.622889 0.622889 Ga\n0.622890 0.131332 0.622889 Ga\n0.622890 0.622889 0.131332 Ga\n0.559027 0.146991 0.146991 Ga\n0.146991 0.559027 0.146991 Ga\n0.146991 0.146991 0.559027 Ga\n0.853010 0.853009 0.853009 Ga\n0.440974 0.853009 0.853009 Ga\n0.853010 0.440973 0.853009 Ga\n0.853010 0.853009 0.440974 Ga\n0.146991 0.146991 0.146991 Ga\n0.000000 0.500000 0.000000 Os\n0.000000 0.000000 0.000000 Os\n0.000000 0.000000 0.500000 Os\n0.500000 0.000000 0.500000 Os\n0.000000 0.500000 0.500000 Os\n0.500000 0.500000 0.000000 Os\n0.500000 0.000000 0.000000 Os\n",
"nsites": 29,
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],
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"volume": 458.1660486786059,
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"formula_full": "Ti6 Ga16 Os7",
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"formula_anonymous": "A6B7C16",
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"spacegroup": 225
},
{
"id": "jvasp-34303",
"created_at": "2022-09-04T14:37:14.165442Z",
"updated_at": "2022-09-04T14:37:14.165452Z",
"structure_string": "Ti1 Ga4 O8\n1.0\n2.995239 0.000030 0.615389\n1.407969 6.164442 0.744346\n-0.101498 0.158747 8.091700\nTi Ga O\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Ti\n0.537206 0.640230 0.285369 Ga\n0.760040 0.844194 0.635734 Ga\n0.239960 0.155806 0.364266 Ga\n0.462794 0.359770 0.714631 Ga\n0.891462 0.526653 0.690418 O\n0.558210 0.806205 0.077374 O\n0.441790 0.193796 0.922626 O\n0.835101 0.109299 0.220515 O\n0.108538 0.473347 0.309583 O\n0.644913 0.169153 0.541021 O\n0.355087 0.830847 0.458980 O\n0.164900 0.890702 0.779486 O\n",
"nsites": 13,
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"elements": [
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],
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"density": 5.04860986280381,
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"volume": 149.57327567811998,
"volume_molar": 6.928856308214793,
"formula_full": "Ti1 Ga4 O8",
"formula_reduced": "Ti(GaO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 1.8424504333333336,
"spacegroup": 12
}
]
}