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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4355",
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"results": [
{
"id": "jvasp-100471",
"created_at": "2022-09-04T14:36:33.240673Z",
"updated_at": "2022-09-04T14:36:33.240692Z",
"structure_string": "Na2 Ga1 Ag1 Cl6\n1.0\n6.136105 -0.000000 3.542682\n2.045369 5.785175 3.542682\n-0.000000 0.000000 7.085363\nNa Ga Ag Cl\n2 1 1 6\ndirect\n0.749999 0.750001 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ag\n0.762456 0.237544 0.237543 Cl\n0.237543 0.237544 0.762456 Cl\n0.237543 0.762457 0.762456 Cl\n0.237543 0.762457 0.237543 Cl\n0.762456 0.237544 0.762456 Cl\n0.762456 0.762457 0.237543 Cl\n",
"nsites": 10,
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"density_atomic": 0.03975837370906982,
"volume": 251.51934214348321,
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"formula_full": "Na2 Ga1 Ag1 Cl6",
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"spacegroup": 225
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{
"id": "jvasp-87141",
"created_at": "2022-09-04T14:36:19.629719Z",
"updated_at": "2022-09-04T14:36:19.629746Z",
"structure_string": "Rb2 Cd26\n1.0\n8.603444 0.000000 4.967201\n2.867814 8.111404 4.967201\n-0.000000 -0.000000 9.934401\nRb Cd\n2 26\ndirect\n0.250000 0.250000 0.250000 Rb\n0.749999 0.750000 0.750000 Rb\n0.802125 0.197874 0.557916 Cd\n0.557915 0.442084 0.802126 Cd\n0.442084 0.557915 0.197874 Cd\n0.302126 0.057915 0.697874 Cd\n0.057915 0.697874 0.302126 Cd\n0.697874 0.302126 0.057916 Cd\n0.302126 0.697874 0.942085 Cd\n0.302125 0.942084 0.057916 Cd\n0.942084 0.697874 0.057916 Cd\n0.197874 0.557915 0.802126 Cd\n0.197874 0.442084 0.557916 Cd\n0.442084 0.802126 0.557916 Cd\n0.557915 0.802126 0.197874 Cd\n0.802125 0.557915 0.442085 Cd\n0.557915 0.197874 0.442085 Cd\n0.802125 0.442084 0.197874 Cd\n0.442084 0.197874 0.802126 Cd\n0.942084 0.057915 0.302126 Cd\n0.057915 0.942084 0.697874 Cd\n0.057915 0.302126 0.942085 Cd\n0.697873 0.942084 0.302126 Cd\n0.942084 0.302126 0.697874 Cd\n0.697874 0.057915 0.942085 Cd\n0.197874 0.802126 0.442085 Cd\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 28,
"nelements": 2,
"elements": [
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"Cd"
],
"chemical_system": "Cd-Rb",
"density": 7.409795697528645,
"density_atomic": 0.04038759348738243,
"volume": 693.2822082788254,
"volume_molar": 14.910868016638299,
"formula_full": "Rb2 Cd26",
"formula_reduced": "RbCd13",
"formula_anonymous": "AB13",
"energy_above_hull": 0.0,
"spacegroup": 226
},
{
"id": "jvasp-93107",
"created_at": "2022-09-04T14:36:19.655848Z",
"updated_at": "2022-09-04T14:36:19.655878Z",
"structure_string": "Sr1 Mg6 Si1\n1.0\n7.455725 0.828512 0.000000\n-3.010350 5.214079 0.000000\n0.000000 0.000000 4.881361\nSr Mg Si\n1 6 1\ndirect\n0.099918 0.799959 0.250000 Sr\n0.625508 0.306221 0.250000 Mg\n0.625508 0.819285 0.250000 Mg\n0.347851 0.176031 0.750000 Mg\n0.347851 0.671821 0.750000 Mg\n0.911637 0.205819 0.750000 Mg\n0.769159 0.634580 0.750000 Mg\n0.272570 0.386285 0.250000 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Mg",
"Si"
],
"chemical_system": "Mg-Si-Sr",
"density": 2.1506283504154826,
"density_atomic": 0.03961645483117776,
"volume": 201.93629223239023,
"volume_molar": 15.201109704699359,
"formula_full": "Sr1 Mg6 Si1",
"formula_reduced": "SrMg6Si",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-94217",
"created_at": "2022-09-04T14:36:20.581262Z",
"updated_at": "2022-09-04T14:36:20.581282Z",
"structure_string": "Mg6 Co1 Cu1\n1.0\n5.857625 0.884645 0.000000\n-2.162688 5.515174 0.000000\n0.000000 0.000000 4.313930\nMg Co Cu\n6 1 1\ndirect\n0.166585 0.932380 0.250000 Mg\n0.567619 0.333414 0.250000 Mg\n0.628399 0.871600 0.250000 Mg\n0.342036 0.575315 0.750000 Mg\n0.924684 0.157963 0.750000 Mg\n0.865280 0.634719 0.750000 Mg\n0.441177 0.058823 0.750000 Co\n0.064220 0.435780 0.250000 Cu\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Co",
"Cu"
],
"chemical_system": "Co-Cu-Mg",
"density": 3.0181709674439365,
"density_atomic": 0.054193745868378315,
"volume": 147.6185096972222,
"volume_molar": 11.112243052226214,
"formula_full": "Mg6 Co1 Cu1",
"formula_reduced": "Mg6CoCu",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-90206",
"created_at": "2022-09-04T14:36:20.396882Z",
"updated_at": "2022-09-04T14:36:20.396895Z",
"structure_string": "Dy3 Cd3 Cu3\n1.0\n0.000000 0.000000 -3.880255\n-3.723903 -6.449990 0.000000\n-3.723800 6.449929 0.000000\nDy Cd Cu\n3 3 3\ndirect\n0.499999 0.589929 -0.000000 Dy\n0.499999 0.410048 0.410059 Dy\n0.499999 0.999989 0.589940 Dy\n0.000000 0.253785 -0.000000 Cd\n0.000000 0.746193 0.746205 Cd\n0.000000 0.999988 0.253794 Cd\n0.000000 0.333323 0.666667 Cu\n0.000000 0.666656 0.333333 Cu\n0.499999 0.999988 -0.000000 Cu\n",
"nsites": 9,
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"elements": [
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"Cd",
"Cu"
],
"chemical_system": "Cd-Cu-Dy",
"density": 9.045534793945498,
"density_atomic": 0.04828396262814088,
"volume": 186.39729446635386,
"volume_molar": 12.472341606217245,
"formula_full": "Dy3 Cd3 Cu3",
"formula_reduced": "DyCdCu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 189
},
{
"id": "jvasp-64638",
"created_at": "2022-09-04T14:36:14.930815Z",
"updated_at": "2022-09-04T14:36:14.930836Z",
"structure_string": "Ba4 In1 Cu1\n1.0\n0.000000 5.006606 5.006606\n5.006606 -0.000000 5.006606\n5.006606 5.006606 -0.000000\nBa In Cu\n4 1 1\ndirect\n0.124450 0.625184 0.625184 Ba\n0.625184 0.625184 0.625184 Ba\n0.625184 0.124450 0.625184 Ba\n0.625184 0.625184 0.124450 Ba\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"In",
"Cu"
],
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"density": 4.814204332704091,
"density_atomic": 0.023905124409595142,
"volume": 250.99220975364153,
"volume_molar": 25.191840279997905,
"formula_full": "Ba4 In1 Cu1",
"formula_reduced": "Ba4InCu",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-93153",
"created_at": "2022-09-04T14:36:14.923391Z",
"updated_at": "2022-09-04T14:36:14.923422Z",
"structure_string": "La1 Mg6 Si1\n1.0\n7.244700 -0.549989 0.000000\n-4.098654 5.999100 0.000000\n0.000000 0.000000 4.675152\nLa Mg Si\n1 6 1\ndirect\n0.206009 0.293991 0.250000 La\n0.168506 0.810904 0.250000 Mg\n0.689096 0.331494 0.250000 Mg\n0.643384 0.856617 0.250000 Mg\n0.307165 0.683410 0.750000 Mg\n0.816590 0.192835 0.750000 Mg\n0.795573 0.704427 0.750000 Mg\n0.373677 0.126323 0.750000 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"La",
"Mg",
"Si"
],
"chemical_system": "La-Mg-Si",
"density": 2.696331717302255,
"density_atomic": 0.041525832856686325,
"volume": 192.65116313523552,
"volume_molar": 14.50215527472639,
"formula_full": "La1 Mg6 Si1",
"formula_reduced": "LaMg6Si",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-99414",
"created_at": "2022-09-04T14:36:38.060306Z",
"updated_at": "2022-09-04T14:36:38.060325Z",
"structure_string": "K2 Pr1 Ag1 I6\n1.0\n7.434815 -0.000000 4.292492\n2.478272 7.009611 4.292492\n-0.000000 -0.000000 8.584985\nK Pr Ag I\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.499999 Pr\n0.000000 0.000000 0.000000 Ag\n0.754957 0.245043 0.245042 I\n0.245043 0.245043 0.754956 I\n0.245043 0.754957 0.754956 I\n0.245043 0.754957 0.245043 I\n0.754957 0.245043 0.754956 I\n0.754957 0.754957 0.245042 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Pr",
"Ag",
"I"
],
"chemical_system": "Ag-I-K-Pr",
"density": 4.0395567597104485,
"density_atomic": 0.022350969992282924,
"volume": 447.40787551737935,
"volume_molar": 26.943532034982166,
"formula_full": "K2 Pr1 Ag1 I6",
"formula_reduced": "K2PrAgI6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-102203",
"created_at": "2022-09-04T14:36:33.259828Z",
"updated_at": "2022-09-04T14:36:33.259846Z",
"structure_string": "K1 Zn1 Cu1 Te2\n1.0\n4.113090 -0.004160 -6.916930\n-0.314299 4.101066 -6.916930\n0.003858 0.004160 8.047447\nK Zn Cu Te\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.250000 0.500001 Zn\n0.250000 0.750001 0.500001 Cu\n0.637885 0.637885 0.000001 Te\n0.362115 0.362116 0.000000 Te\n",
"nsites": 5,
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"elements": [
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"Cu",
"Te"
],
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"density": 5.168952599222568,
"density_atomic": 0.03677249550687897,
"volume": 135.97119072499873,
"volume_molar": 16.37675299701498,
"formula_full": "K1 Zn1 Cu1 Te2",
"formula_reduced": "KZnCuTe2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.0,
"spacegroup": 119
},
{
"id": "jvasp-92848",
"created_at": "2022-09-04T14:36:20.975538Z",
"updated_at": "2022-09-04T14:36:20.975553Z",
"structure_string": "Ba1 Mg6 Bi1\n1.0\n7.747811 -0.625787 0.000000\n-4.415853 6.396909 0.000000\n0.000000 0.000000 4.999104\nBa Mg Bi\n1 6 1\ndirect\n0.204508 0.295492 0.250000 Ba\n0.158555 0.782370 0.250000 Mg\n0.717630 0.341445 0.250000 Mg\n0.627167 0.872833 0.250000 Mg\n0.306561 0.674484 0.749999 Mg\n0.825516 0.193439 0.749999 Mg\n0.778676 0.721323 0.749999 Mg\n0.381387 0.118613 0.749999 Bi\n",
"nsites": 8,
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],
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"density": 3.4930909374677688,
"density_atomic": 0.03419514195861695,
"volume": 233.95136097641065,
"volume_molar": 17.61110033491895,
"formula_full": "Ba1 Mg6 Bi1",
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"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-3834",
"created_at": "2022-09-04T14:36:20.570792Z",
"updated_at": "2022-09-04T14:36:20.570814Z",
"structure_string": "K2 Pt1 Br6\n1.0\n6.292596 0.000000 3.633032\n2.097532 5.932717 3.633032\n0.000000 0.000000 7.266064\nK Pt Br\n2 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.749999 K\n0.000000 0.000000 0.000000 Pt\n0.756839 0.243162 0.243161 Br\n0.756839 0.756839 0.243161 Br\n0.756839 0.243162 0.756837 Br\n0.243162 0.243162 0.756838 Br\n0.243161 0.756839 0.243161 Br\n0.243161 0.756839 0.756838 Br\n",
"nsites": 9,
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],
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"density": 4.607771843397193,
"density_atomic": 0.0331787338305661,
"volume": 271.25809097961115,
"volume_molar": 18.15060451297894,
"formula_full": "K2 Pt1 Br6",
"formula_reduced": "K2PtBr6",
"formula_anonymous": "AB2C6",
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"spacegroup": 225
},
{
"id": "jvasp-19905",
"created_at": "2022-09-04T14:36:20.554540Z",
"updated_at": "2022-09-04T14:36:20.554559Z",
"structure_string": "Hg4 Pt1\n1.0\n5.190924 -0.000000 -1.835269\n-2.595461 4.495471 -1.835269\n0.000000 0.000000 5.505805\nHg Pt\n4 1\ndirect\n0.500000 0.500000 0.500000 Hg\n0.500000 0.000000 -0.000000 Hg\n0.000000 0.500000 -0.000000 Hg\n-0.000000 -0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 5,
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"volume": 128.4815291170337,
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"formula_full": "Hg4 Pt1",
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}
]
}