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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=3853",
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"results": [
{
"id": "jvasp-59132",
"created_at": "2022-09-04T14:38:34.329057Z",
"updated_at": "2022-09-04T14:38:34.329086Z",
"structure_string": "Tb6 Ga2 O12\n1.0\n5.461640 0.000000 -0.000000\n-0.000000 6.972514 -1.590957\n0.000000 0.007873 7.151715\nTb Ga O\n6 2 12\ndirect\n0.530689 0.298096 0.087673 Tb\n0.530689 0.912326 0.701904 Tb\n0.030689 0.087673 0.298096 Tb\n0.578115 0.397508 0.602492 Tb\n0.078115 0.602491 0.397508 Tb\n0.030689 0.701903 0.912327 Tb\n0.000696 0.192871 0.807129 Ga\n0.500696 0.807128 0.192871 Ga\n0.321631 0.894987 0.421523 O\n0.821631 0.105012 0.578477 O\n0.836924 0.783560 0.216439 O\n0.803570 0.356136 0.323636 O\n0.303570 0.643863 0.676364 O\n0.803570 0.676364 0.643863 O\n0.303570 0.323635 0.356137 O\n0.857944 0.038216 0.961784 O\n0.357944 0.961783 0.038216 O\n0.336924 0.216439 0.783561 O\n0.821631 0.421523 0.894988 O\n0.321631 0.578476 0.105012 O\n",
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"formula_anonymous": "AB3C6",
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"spacegroup": 36
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{
"id": "jvasp-117175",
"created_at": "2022-09-04T14:38:45.906081Z",
"updated_at": "2022-09-04T14:38:45.906113Z",
"structure_string": "Tb6 Ge8\n1.0\n5.728699 0.006592 0.000000\n-4.275085 3.813356 0.000000\n0.000000 -0.000000 14.324824\nTb Ge\n6 8\ndirect\n0.669560 0.330440 0.096579 Tb\n0.330441 0.669560 0.903421 Tb\n0.330441 0.669560 0.596579 Tb\n0.669560 0.330440 0.403421 Tb\n0.953867 0.046132 0.250000 Tb\n0.046134 0.953868 0.750000 Tb\n0.379897 0.620105 0.109110 Ge\n0.620105 0.379896 0.890889 Ge\n0.620105 0.379896 0.609110 Ge\n0.379897 0.620105 0.390889 Ge\n0.224899 0.775103 0.250000 Ge\n0.775102 0.224898 0.750000 Ge\n0.000000 0.000000 0.000000 Ge\n0.000000 0.000000 0.500000 Ge\n",
"nsites": 14,
"nelements": 2,
"elements": [
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"Ge"
],
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"density": 8.133025895111812,
"density_atomic": 0.044680239815931895,
"volume": 313.33761988913807,
"volume_molar": 13.47830894554118,
"formula_full": "Tb6 Ge8",
"formula_reduced": "Tb3Ge4",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.103009857142857,
"spacegroup": 63
},
{
"id": "jvasp-100233",
"created_at": "2022-09-04T14:36:34.262827Z",
"updated_at": "2022-09-04T14:36:34.262852Z",
"structure_string": "Tb3 Hg1\n1.0\n4.765644 0.000000 -0.000000\n0.000000 4.765644 0.000000\n-0.000000 -0.000000 4.765644\nTb Hg\n3 1\ndirect\n0.000000 0.500000 0.500000 Tb\n0.500000 0.000000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tb",
"Hg"
],
"chemical_system": "Hg-Tb",
"density": 10.392205658192932,
"density_atomic": 0.036956871577566504,
"volume": 108.2342695486182,
"volume_molar": 16.295050156939013,
"formula_full": "Tb3 Hg1",
"formula_reduced": "Tb3Hg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.9369431000000004,
"spacegroup": 221
},
{
"id": "jvasp-102566",
"created_at": "2022-09-04T14:36:43.538073Z",
"updated_at": "2022-09-04T14:36:43.538097Z",
"structure_string": "Tb3 Ho1\n1.0\n4.527787 -0.010511 -4.058697\n-0.909781 4.435455 -4.058697\n0.008594 0.010511 6.080609\nTb Ho\n3 1\ndirect\n0.750000 0.250000 0.500000 Tb\n0.250000 0.750001 0.500000 Tb\n0.500001 0.500001 0.000000 Tb\n0.000000 0.000000 0.000000 Ho\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tb",
"Ho"
],
"chemical_system": "Ho-Tb",
"density": 8.702540692537394,
"density_atomic": 0.03266785401441417,
"volume": 122.44452905400716,
"volume_molar": 18.43445473137852,
"formula_full": "Tb3 Ho1",
"formula_reduced": "Tb3Ho",
"formula_anonymous": "AB3",
"energy_above_hull": 1.4222926916666667,
"spacegroup": 139
},
{
"id": "jvasp-101022",
"created_at": "2022-09-04T14:36:43.999896Z",
"updated_at": "2022-09-04T14:36:43.999916Z",
"structure_string": "Tb3 Ho1\n1.0\n4.965867 -0.000000 0.000000\n0.000000 4.965867 0.000000\n-0.000000 -0.000000 4.965867\nTb Ho\n3 1\ndirect\n-0.000000 0.500000 0.500000 Tb\n0.500000 0.000000 0.500000 Tb\n0.500000 0.500000 -0.000000 Tb\n0.000000 0.000000 0.000000 Ho\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Ho"
],
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"density": 8.7016216618581,
"density_atomic": 0.03266440412993484,
"volume": 122.45746115828439,
"volume_molar": 18.43640170518553,
"formula_full": "Tb3 Ho1",
"formula_reduced": "Tb3Ho",
"formula_anonymous": "AB3",
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"spacegroup": 221
},
{
"id": "jvasp-101613",
"created_at": "2022-09-04T14:36:39.922806Z",
"updated_at": "2022-09-04T14:36:39.922829Z",
"structure_string": "Tb6 In2\n1.0\n6.886689 -0.000000 0.000000\n-3.443344 5.964048 0.000000\n-0.000000 -0.000000 5.465341\nTb In\n6 2\ndirect\n0.827661 0.172340 0.750000 Tb\n0.344680 0.172340 0.750000 Tb\n0.827661 0.655320 0.750000 Tb\n0.172340 0.827661 0.250000 Tb\n0.655321 0.827661 0.250000 Tb\n0.172340 0.344680 0.250000 Tb\n0.666667 0.333333 0.250000 In\n0.333334 0.666667 0.750000 In\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tb",
"In"
],
"chemical_system": "In-Tb",
"density": 8.752538412025004,
"density_atomic": 0.035638639937461546,
"volume": 224.47545736981962,
"volume_molar": 16.897785018080413,
"formula_full": "Tb6 In2",
"formula_reduced": "Tb3In",
"formula_anonymous": "AB3",
"energy_above_hull": 0.9195347666666668,
"spacegroup": 194
},
{
"id": "jvasp-18071",
"created_at": "2022-09-04T14:38:16.138883Z",
"updated_at": "2022-09-04T14:38:16.138898Z",
"structure_string": "Tb3 In1 C1\n1.0\n5.570935 0.000000 0.000000\n-0.000000 5.570935 -0.000000\n-0.000000 -0.000000 5.570935\nTb In C\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.000000 0.500000 0.500000 Tb\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tb",
"In",
"C"
],
"chemical_system": "C-In-Tb",
"density": 5.797189172550666,
"density_atomic": 0.028919163758662186,
"volume": 172.8957324536172,
"volume_molar": 20.82404875277966,
"formula_full": "Tb3 In1 C1",
"formula_reduced": "Tb3InC",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.405653034,
"spacegroup": 221
},
{
"id": "jvasp-106723",
"created_at": "2022-09-04T14:36:46.268989Z",
"updated_at": "2022-09-04T14:36:46.269012Z",
"structure_string": "Tb3 Mg1\n1.0\n3.546046 -0.000000 0.000000\n0.000000 3.546046 0.000000\n-0.000000 0.000000 9.218569\nTb Mg\n3 1\ndirect\n0.500001 0.500001 0.763601 Tb\n0.000000 0.000000 0.500000 Tb\n0.500001 0.500001 0.236399 Tb\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tb",
"Mg"
],
"chemical_system": "Mg-Tb",
"density": 7.178022833101835,
"density_atomic": 0.034507043436882386,
"volume": 115.91836337171252,
"volume_molar": 17.451917522332025,
"formula_full": "Tb3 Mg1",
"formula_reduced": "Tb3Mg",
"formula_anonymous": "AB3",
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"spacegroup": 123
},
{
"id": "jvasp-109601",
"created_at": "2022-09-04T14:38:26.827351Z",
"updated_at": "2022-09-04T14:38:26.827385Z",
"structure_string": "Tb6 Mg2\n1.0\n6.975454 -0.000000 0.000000\n-3.487727 6.040920 0.000000\n-0.000000 -0.000000 5.504032\nTb Mg\n6 2\ndirect\n0.170134 0.340269 0.250000 Tb\n0.659730 0.829866 0.250000 Tb\n0.170134 0.829866 0.250000 Tb\n0.829865 0.170134 0.750000 Tb\n0.340269 0.170134 0.750000 Tb\n0.829865 0.659731 0.750000 Tb\n0.666666 0.333333 0.250000 Mg\n0.333333 0.666667 0.750000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tb",
"Mg"
],
"chemical_system": "Mg-Tb",
"density": 7.175142955684954,
"density_atomic": 0.034493198948305534,
"volume": 231.9297787366572,
"volume_molar": 17.458922174847558,
"formula_full": "Tb6 Mg2",
"formula_reduced": "Tb3Mg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.9586314333333334,
"spacegroup": 194
},
{
"id": "jvasp-107519",
"created_at": "2022-09-04T14:36:57.233289Z",
"updated_at": "2022-09-04T14:36:57.233317Z",
"structure_string": "Tb3 Mn3 Ga2 Ge1\n1.0\n6.946356 0.000000 0.000000\n-3.473178 6.015720 0.000000\n-0.000000 -0.000000 4.155404\nTb Mn Ga Ge\n3 3 2 1\ndirect\n0.246067 0.331842 0.500000 Tb\n0.085775 0.753933 0.500000 Tb\n0.668158 0.914225 0.500000 Tb\n0.888100 0.328250 -0.000000 Mn\n0.440151 0.111900 -0.000000 Mn\n0.671750 0.559849 -0.000000 Mn\n0.333333 0.666667 -0.000000 Ga\n0.666667 0.333333 0.500000 Ga\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 9,
"nelements": 4,
"elements": [
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"Mn",
"Ga",
"Ge"
],
"chemical_system": "Ga-Ge-Mn-Tb",
"density": 8.163649663015942,
"density_atomic": 0.051830405299051786,
"volume": 173.643249518727,
"volume_molar": 11.61893434028418,
"formula_full": "Tb3 Mn3 Ga2 Ge1",
"formula_reduced": "Tb3Mn3Ga2Ge",
"formula_anonymous": "AB2C3D3",
"energy_above_hull": 2.1878752804597705,
"spacegroup": 174
},
{
"id": "jvasp-5137",
"created_at": "2022-09-04T14:37:19.372500Z",
"updated_at": "2022-09-04T14:37:19.372529Z",
"structure_string": "Tb3 Mn3 Ga2 Si1\n1.0\n3.530215 -6.114511 0.000000\n3.530215 6.114511 0.000000\n0.000000 0.000000 3.965063\nTb Mn Ga Si\n3 3 2 1\ndirect\n0.407905 0.407905 0.500000 Tb\n0.592094 -0.000000 0.500000 Tb\n-0.000000 0.592094 0.500000 Tb\n0.217554 -0.000000 0.000000 Mn\n-0.000000 0.217554 0.000000 Mn\n0.782445 0.782445 0.000000 Mn\n0.666666 0.333332 0.000000 Ga\n0.333332 0.666666 0.000000 Ga\n0.000000 0.000000 0.500000 Si\n",
"nsites": 9,
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"elements": [
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"Si"
],
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"density": 7.849101837184892,
"density_atomic": 0.05257745194098125,
"volume": 171.17603968527413,
"volume_molar": 11.453846730267413,
"formula_full": "Tb3 Mn3 Ga2 Si1",
"formula_reduced": "Tb3Mn3Ga2Si",
"formula_anonymous": "AB2C3D3",
"energy_above_hull": 2.498145574904214,
"spacegroup": 189
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{
"id": "jvasp-105388",
"created_at": "2022-09-04T14:37:00.201001Z",
"updated_at": "2022-09-04T14:37:00.201021Z",
"structure_string": "Tb3 Mn3 Ga2 Si1\n1.0\n6.886229 -0.000000 0.000000\n-3.443115 5.963649 0.000000\n-0.000000 -0.000000 4.179709\nTb Mn Ga Si\n3 3 2 1\ndirect\n0.336455 0.244601 0.500000 Tb\n0.908145 0.663545 0.500000 Tb\n0.755399 0.091854 0.500000 Tb\n0.344691 0.898324 -0.000000 Mn\n0.553633 0.655309 -0.000000 Mn\n0.101676 0.446367 -0.000000 Mn\n0.333333 0.666667 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.666667 0.333333 -0.000000 Si\n",
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"volume": 171.6483297302831,
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"formula_full": "Tb3 Mn3 Ga2 Si1",
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]
}