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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=613",
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"results": [
{
"id": "jvasp-118682",
"created_at": "2022-09-04T14:38:53.846038Z",
"updated_at": "2022-09-04T14:38:53.846073Z",
"structure_string": "Mg1 Cl1\n1.0\n4.508177 0.000000 -0.000000\n-2.254089 3.904196 0.000000\n0.000000 0.000000 3.472529\nMg Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.000000 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
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],
"chemical_system": "Cl-Mg",
"density": 1.623553853977901,
"density_atomic": 0.032722881768045185,
"volume": 61.119311379019685,
"volume_molar": 18.403454813936314,
"formula_full": "Mg1 Cl1",
"formula_reduced": "MgCl",
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"energy_above_hull": 0.240515,
"spacegroup": 187
},
{
"id": "jvasp-119965",
"created_at": "2022-09-04T14:38:53.693055Z",
"updated_at": "2022-09-04T14:38:53.693091Z",
"structure_string": "Ba2 Se1\n1.0\n4.375748 0.000000 0.000000\n0.000000 4.350010 0.000000\n0.000000 0.000000 8.590403\nBa Se\n2 1\ndirect\n-0.033328 0.000000 0.740880 Ba\n-0.033328 0.000000 0.259120 Ba\n0.466657 0.000000 0.000000 Se\n",
"nsites": 3,
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"elements": [
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"density": 3.591058266523012,
"density_atomic": 0.01834700410546806,
"volume": 163.51443444141887,
"volume_molar": 32.823564683267215,
"formula_full": "Ba2 Se1",
"formula_reduced": "Ba2Se",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4236019899999999,
"spacegroup": 47
},
{
"id": "jvasp-116160",
"created_at": "2022-09-04T14:38:50.806438Z",
"updated_at": "2022-09-04T14:38:50.806464Z",
"structure_string": "Hf1 Cl2\n1.0\n5.728971 0.701729 1.159354\n0.586993 -4.897408 0.165277\n-0.593252 -5.125349 -2.845594\nHf Cl\n1 2\ndirect\n0.270032 0.892652 0.368880 Hf\n0.770031 0.392702 0.868796 Cl\n0.270146 0.392405 0.369125 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Hf",
"Cl"
],
"chemical_system": "Cl-Hf",
"density": 5.246216532510008,
"density_atomic": 0.03800396288689362,
"volume": 78.93913613505306,
"volume_molar": 15.84608630926973,
"formula_full": "Hf1 Cl2",
"formula_reduced": "HfCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.284783711666667,
"spacegroup": 123
},
{
"id": "jvasp-113662",
"created_at": "2022-09-04T14:38:48.159002Z",
"updated_at": "2022-09-04T14:38:48.159026Z",
"structure_string": "Li1 Br2\n1.0\n4.219697 0.713139 -0.046354\n-1.140942 -5.632288 -0.052105\n0.322959 3.260294 -3.415423\nLi Br\n1 2\ndirect\n-0.012117 0.031606 0.027075 Li\n0.132932 0.885436 0.381237 Br\n0.618170 0.400422 0.396326 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"Br"
],
"chemical_system": "Br-Li",
"density": 3.4967094471903812,
"density_atomic": 0.03788510245053227,
"volume": 79.18679918886828,
"volume_molar": 15.895801701640618,
"formula_full": "Li1 Br2",
"formula_reduced": "LiBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2341847016666666,
"spacegroup": 5
},
{
"id": "jvasp-117866",
"created_at": "2022-09-04T14:38:53.596075Z",
"updated_at": "2022-09-04T14:38:53.596103Z",
"structure_string": "Pb1 Br1\n1.0\n4.391408 -0.000000 -0.000000\n0.000000 4.391408 0.000000\n0.000000 0.000000 3.560167\nPb Br\n1 1\ndirect\n0.500001 0.500001 0.000000 Pb\n0.000000 0.000000 0.000000 Br\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pb",
"Br"
],
"chemical_system": "Br-Pb",
"density": 6.944010885447633,
"density_atomic": 0.029130775611338908,
"volume": 68.655913137497,
"volume_molar": 20.672778646017008,
"formula_full": "Pb1 Br1",
"formula_reduced": "PbBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.021395205,
"spacegroup": 123
},
{
"id": "jvasp-120463",
"created_at": "2022-09-04T14:38:53.585182Z",
"updated_at": "2022-09-04T14:38:53.585213Z",
"structure_string": "Tm8 Br16\n1.0\n6.550157 -0.000000 0.000000\n0.000000 7.631884 0.000000\n-0.000000 -0.000000 12.730871\nTm Br\n8 16\ndirect\n0.170758 0.547274 0.904322 Tm\n0.829243 0.452726 0.095678 Tm\n0.329242 0.047274 0.095678 Tm\n0.829243 0.952725 0.404322 Tm\n0.670758 0.952725 0.904322 Tm\n0.170758 0.047274 0.595678 Tm\n0.670758 0.452726 0.595678 Tm\n0.329242 0.547274 0.404322 Tm\n0.021016 0.201697 0.954381 Br\n0.521016 0.798302 0.545619 Br\n0.978984 0.798302 0.045619 Br\n0.478984 0.201697 0.454381 Br\n0.978984 0.298302 0.454381 Br\n0.021016 0.701697 0.545619 Br\n0.206830 0.878029 0.294352 Br\n0.706830 0.621970 0.294352 Br\n0.293170 0.378029 0.705648 Br\n0.793170 0.621970 0.794352 Br\n0.521016 0.298302 0.954381 Br\n0.206830 0.378029 0.205648 Br\n0.706830 0.121971 0.205648 Br\n0.293170 0.878029 0.794352 Br\n0.793170 0.121971 0.705648 Br\n0.478984 0.701697 0.045619 Br\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Tm",
"Br"
],
"chemical_system": "Br-Tm",
"density": 6.8620356017213,
"density_atomic": 0.03771113935260493,
"volume": 636.4167302291327,
"volume_molar": 15.9691297144116,
"formula_full": "Tm8 Br16",
"formula_reduced": "TmBr2",
"formula_anonymous": "AB2",
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"spacegroup": 61
},
{
"id": "jvasp-123738",
"created_at": "2022-09-04T14:38:55.114777Z",
"updated_at": "2022-09-04T14:38:55.114804Z",
"structure_string": "Hf1 H1\n1.0\n1.548689 -2.682407 -0.000000\n1.548689 2.682407 -0.000000\n0.000000 0.000000 2.887326\nHf H\n1 1\ndirect\n0.333334 0.666667 0.750001 Hf\n0.666667 0.333334 0.250000 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hf",
"H"
],
"chemical_system": "H-Hf",
"density": 12.424927449634684,
"density_atomic": 0.08337105379632287,
"volume": 23.989141421746204,
"volume_molar": 7.223299317665108,
"formula_full": "Hf1 H1",
"formula_reduced": "HfH",
"formula_anonymous": "AB",
"energy_above_hull": null,
"spacegroup": 187
},
{
"id": "jvasp-115361",
"created_at": "2022-09-04T14:38:45.621820Z",
"updated_at": "2022-09-04T14:38:45.621836Z",
"structure_string": "Ga2 Os1\n1.0\n6.337803 -0.489732 0.348870\n2.467758 -3.321940 -0.246085\n0.891027 0.858528 -2.656737\nGa Os\n2 1\ndirect\n0.864279 0.567918 0.470827 Ga\n0.364694 0.567538 0.220378 Ga\n0.908873 0.023327 0.948473 Os\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ga",
"Os"
],
"chemical_system": "Ga-Os",
"density": 9.785886094383315,
"density_atomic": 0.0536271826357411,
"volume": 55.94177901116475,
"volume_molar": 11.229642252334923,
"formula_full": "Ga2 Os1",
"formula_reduced": "Ga2Os",
"formula_anonymous": "AB2",
"energy_above_hull": 1.5069698833333338,
"spacegroup": 38
},
{
"id": "jvasp-123188",
"created_at": "2022-09-04T14:38:55.214052Z",
"updated_at": "2022-09-04T14:38:55.214080Z",
"structure_string": "Er3 Br1\n1.0\n3.556837 -0.000000 0.000000\n-1.778419 3.080311 0.000000\n0.000000 0.000000 10.171462\nEr Br\n3 1\ndirect\n0.333333 0.666666 0.230228 Er\n0.000000 0.000000 0.500000 Er\n0.666667 0.333333 0.769772 Er\n0.000000 0.000000 0.000000 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Er",
"Br"
],
"chemical_system": "Br-Er",
"density": 8.66746436727572,
"density_atomic": 0.035893687756730436,
"volume": 111.44020717820946,
"volume_molar": 16.777715348768496,
"formula_full": "Er3 Br1",
"formula_reduced": "Er3Br",
"formula_anonymous": "AB3",
"energy_above_hull": null,
"spacegroup": 164
},
{
"id": "jvasp-120848",
"created_at": "2022-09-04T14:38:53.327301Z",
"updated_at": "2022-09-04T14:38:53.327326Z",
"structure_string": "Ba3 Br1\n1.0\n7.931503 0.737326 -1.666788\n3.013599 -5.744073 -1.450276\n-2.037903 -0.082759 -3.899791\nBa Br\n3 1\ndirect\n0.207964 -0.016523 0.793857 Ba\n0.476643 0.349252 0.427178 Ba\n0.842336 0.665747 0.110775 Ba\n0.842290 0.165701 0.110493 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Br"
],
"chemical_system": "Ba-Br",
"density": 3.9365369680832067,
"density_atomic": 0.019277985494116,
"volume": 207.49055969675229,
"volume_molar": 31.238433921625628,
"formula_full": "Ba3 Br1",
"formula_reduced": "Ba3Br",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 71
},
{
"id": "jvasp-119433",
"created_at": "2022-09-04T14:38:49.641336Z",
"updated_at": "2022-09-04T14:38:49.641362Z",
"structure_string": "Tl4 Cl12\n1.0\n5.739173 -0.000000 0.000000\n0.000000 7.019576 0.000000\n-0.000000 -0.000000 10.693298\nTl Cl\n4 12\ndirect\n-0.135415 0.750000 0.188262 Tl\n0.635415 0.750000 0.688262 Tl\n0.135415 0.250000 0.811739 Tl\n0.364585 0.250000 0.311738 Tl\n0.004048 0.750000 -0.026782 Cl\n0.495952 0.750000 0.473218 Cl\n-0.004048 0.250000 0.026782 Cl\n0.504048 0.250000 0.526782 Cl\n-0.012409 0.010311 0.344057 Cl\n0.512409 0.489689 0.844057 Cl\n0.012409 0.510311 0.655943 Cl\n0.487590 -0.010311 0.155943 Cl\n0.012409 -0.010311 0.655943 Cl\n0.487590 0.510311 0.155943 Cl\n-0.012409 0.489689 0.344057 Cl\n0.512409 0.010311 0.844057 Cl\n",
"nsites": 16,
"nelements": 2,
"elements": [
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"Cl"
],
"chemical_system": "Cl-Tl",
"density": 4.791126064244969,
"density_atomic": 0.03714053164665246,
"volume": 430.79620270977216,
"volume_molar": 16.214471072448386,
"formula_full": "Tl4 Cl12",
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"formula_anonymous": "AB3",
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"spacegroup": 62
},
{
"id": "jvasp-121200",
"created_at": "2022-09-04T14:38:53.909960Z",
"updated_at": "2022-09-04T14:38:53.909997Z",
"structure_string": "Li2 Te2\n1.0\n6.392225 0.351714 0.744897\n4.771842 -3.735748 0.242939\n-1.106127 -1.738062 -4.197058\nLi Te\n2 2\ndirect\n0.901967 0.001985 0.886369 Li\n0.539108 0.832403 0.703556 Li\n0.707130 0.447149 0.289878 Te\n0.476131 0.160713 0.170166 Te\n",
"nsites": 4,
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"elements": [
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],
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"density": 4.4408041849826265,
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"volume": 100.617175292229,
"volume_molar": 15.148269812084932,
"formula_full": "Li2 Te2",
"formula_reduced": "LiTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.1467388833333334,
"spacegroup": 8
}
]
}