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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=185",
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"results": [
{
"id": "jvasp-29748",
"created_at": "2022-09-04T14:37:06.445103Z",
"updated_at": "2022-09-04T14:37:06.445128Z",
"structure_string": "Bi4 Br12\n1.0\n6.763950 0.123816 0.000000\n-2.686117 7.598949 0.000000\n0.000000 0.000000 9.783985\nBi Br\n4 12\ndirect\n0.011738 0.139644 0.793829 Bi\n0.988262 0.360356 0.293829 Bi\n0.988262 0.860356 0.206171 Bi\n0.011737 0.639644 0.706171 Bi\n0.331191 0.958155 0.759667 Br\n0.668809 0.541845 0.259667 Br\n0.668809 0.041845 0.240332 Br\n0.774760 0.832096 0.586337 Br\n0.774760 0.332096 0.913662 Br\n0.331191 0.458155 0.740332 Br\n0.225240 0.167905 0.413663 Br\n0.216360 0.193418 0.056296 Br\n0.783640 0.306582 0.556296 Br\n0.216360 0.693419 0.443703 Br\n0.225240 0.667905 0.086337 Br\n0.783640 0.806582 0.943703 Br\n",
"nsites": 16,
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"elements": [
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"Br"
],
"chemical_system": "Bi-Br",
"density": 5.888260182158157,
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"volume": 506.1401745419689,
"volume_molar": 19.05029609614191,
"formula_full": "Bi4 Br12",
"formula_reduced": "BiBr3",
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"spacegroup": 14
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{
"id": "jvasp-78299",
"created_at": "2022-09-04T14:37:08.973483Z",
"updated_at": "2022-09-04T14:37:08.973494Z",
"structure_string": "Pt2 W1\n1.0\n-2.794738 0.000000 0.000000\n0.000000 0.000000 -3.979208\n-1.397370 -4.182436 -1.989605\nPt W\n2 1\ndirect\n0.337040 0.337039 0.325922 Pt\n0.662960 0.662959 0.674079 Pt\n0.000000 0.000000 0.000000 W\n",
"nsites": 3,
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"elements": [
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"W"
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"density": 20.49273846657149,
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"volume": 46.5122174908818,
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"formula_full": "Pt2 W1",
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"spacegroup": 71
},
{
"id": "jvasp-29669",
"created_at": "2022-09-04T14:37:03.839779Z",
"updated_at": "2022-09-04T14:37:03.839799Z",
"structure_string": "Cd7 I14\n1.0\n4.286250 0.000000 -0.000000\n-2.143124 3.712001 -0.000000\n-0.000000 -0.000000 48.104887\nCd I\n7 14\ndirect\n0.666667 0.333333 0.035749 Cd\n0.333334 0.666667 0.607115 Cd\n0.333334 0.666667 0.892834 Cd\n0.333334 0.666667 0.749979 Cd\n0.333334 0.666667 0.178639 Cd\n0.333334 0.666667 0.464293 Cd\n0.333334 0.666667 0.321424 Cd\n0.000000 0.000000 0.713939 I\n0.000000 0.000000 0.571072 I\n0.666667 0.333333 0.786012 I\n0.666667 0.333333 0.500331 I\n0.000000 0.000000 0.999692 I\n0.666667 0.333333 0.643155 I\n0.333334 0.666667 0.071771 I\n0.666667 0.333333 0.928867 I\n0.000000 0.000000 0.856791 I\n0.666667 0.333333 0.357461 I\n0.666667 0.333333 0.214662 I\n0.000000 0.000000 0.142583 I\n0.000000 0.000000 0.428247 I\n0.000000 0.000000 0.285382 I\n",
"nsites": 21,
"nelements": 2,
"elements": [
"Cd",
"I"
],
"chemical_system": "Cd-I",
"density": 5.561786878206071,
"density_atomic": 0.027437498462742932,
"volume": 765.3758970962919,
"volume_molar": 21.948578031548312,
"formula_full": "Cd7 I14",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.00018,
"spacegroup": 156
},
{
"id": "jvasp-12183",
"created_at": "2022-09-04T14:37:01.020880Z",
"updated_at": "2022-09-04T14:37:01.020908Z",
"structure_string": "V1 Br2\n1.0\n3.816678 0.000000 0.000000\n-1.908340 3.305381 0.000114\n0.000000 0.000144 6.065170\nV Br\n1 2\ndirect\n0.999966 -0.000000 -0.000000 V\n0.333284 0.666637 0.239514 Br\n0.666647 0.333361 0.760486 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"V",
"Br"
],
"chemical_system": "Br-V",
"density": 4.573678409733502,
"density_atomic": 0.03920768758726331,
"volume": 76.51560662237462,
"volume_molar": 15.359591780557606,
"formula_full": "V1 Br2",
"formula_reduced": "VBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9505808033333332,
"spacegroup": 164
},
{
"id": "jvasp-29922",
"created_at": "2022-09-04T14:37:08.971670Z",
"updated_at": "2022-09-04T14:37:08.971695Z",
"structure_string": "Cd7 I14\n1.0\n4.286224 0.000000 0.000000\n-2.143112 3.711980 -0.000000\n0.000000 0.000000 48.144284\nCd I\n7 14\ndirect\n0.000000 0.000000 0.178565 Cd\n0.333333 0.666667 0.035695 Cd\n0.333333 0.666667 0.892866 Cd\n0.000000 0.000000 0.749972 Cd\n0.333333 0.666667 0.321428 Cd\n0.333333 0.666667 0.464258 Cd\n0.000000 0.000000 0.607151 Cd\n0.666667 0.333333 0.071729 I\n0.666667 0.333333 0.786009 I\n0.666667 0.333333 0.500298 I\n0.333333 0.666667 0.142569 I\n0.666667 0.333333 0.643173 I\n0.000000 0.000000 0.856861 I\n0.333333 0.666667 0.713971 I\n0.666667 0.333333 0.928890 I\n0.000000 0.000000 -0.000308 I\n0.333333 0.666667 0.571144 I\n0.000000 0.000000 0.428257 I\n0.666667 0.333333 0.214602 I\n0.666667 0.333333 0.357451 I\n0.000000 0.000000 0.285421 I\n",
"nsites": 21,
"nelements": 2,
"elements": [
"Cd",
"I"
],
"chemical_system": "Cd-I",
"density": 5.557300755847888,
"density_atomic": 0.027415367450174175,
"volume": 765.9937455941916,
"volume_molar": 21.966295986894536,
"formula_full": "Cd7 I14",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 9.666666666668931e-05,
"spacegroup": 156
},
{
"id": "jvasp-9088",
"created_at": "2022-09-04T14:37:03.865856Z",
"updated_at": "2022-09-04T14:37:03.865880Z",
"structure_string": "Ga4 Se6\n1.0\n5.850913 0.040660 3.344814\n1.853242 6.378181 1.059450\n0.001128 0.020330 6.787785\nGa Se\n4 6\ndirect\n0.722466 0.504495 0.494593 Ga\n0.217060 0.004495 0.505407 Ga\n0.415090 0.500747 0.170093 Ga\n0.585183 0.000747 0.829907 Ga\n0.251930 0.888409 0.157434 Se\n0.409365 0.388409 0.842566 Se\n0.789069 0.360808 0.162317 Se\n0.951386 0.860808 0.837683 Se\n0.097450 0.393140 0.523150 Se\n0.620600 0.893140 0.476851 Se\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ga",
"Se"
],
"chemical_system": "Ga-Se",
"density": 4.944402684911311,
"density_atomic": 0.039561296526080786,
"volume": 252.77230217688899,
"volume_molar": 15.222303839384798,
"formula_full": "Ga4 Se6",
"formula_reduced": "Ga2Se3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.5874875711111112,
"spacegroup": 9
},
{
"id": "jvasp-8114",
"created_at": "2022-09-04T14:37:01.023511Z",
"updated_at": "2022-09-04T14:37:01.023538Z",
"structure_string": "Mn1 N1\n1.0\n2.519898 -0.018567 -1.439573\n-1.666669 2.375772 -0.022938\n-0.013025 0.018567 2.902083\nMn N\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n-0.000001 0.500000 0.499999 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"N"
],
"chemical_system": "Mn-N",
"density": 6.623332262713347,
"density_atomic": 0.1157061040695503,
"volume": 17.285172775308475,
"volume_molar": 5.204687175691374,
"formula_full": "Mn1 N1",
"formula_reduced": "MnN",
"formula_anonymous": "AB",
"energy_above_hull": 2.9692302456896544,
"spacegroup": 225
},
{
"id": "jvasp-7703",
"created_at": "2022-09-04T14:37:06.426087Z",
"updated_at": "2022-09-04T14:37:06.426105Z",
"structure_string": "Ba2 Hg4\n1.0\n4.816780 -0.000000 2.071797\n2.186144 6.066920 1.552604\n0.001267 0.100427 6.632287\nBa Hg\n2 4\ndirect\n0.499017 0.250984 0.750984 Ba\n0.500983 0.749017 0.249017 Ba\n0.833313 0.165348 0.168025 Hg\n0.166686 0.834653 0.831975 Hg\n0.166687 0.331975 0.334652 Hg\n0.833313 0.668025 0.665348 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ba",
"Hg"
],
"chemical_system": "Ba-Hg",
"density": 9.24234117026796,
"density_atomic": 0.031007217825505275,
"volume": 193.50333311957593,
"volume_molar": 19.421738492920934,
"formula_full": "Ba2 Hg4",
"formula_reduced": "BaHg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0713646666666666,
"spacegroup": 191
},
{
"id": "jvasp-79370",
"created_at": "2022-09-04T14:37:02.773751Z",
"updated_at": "2022-09-04T14:37:02.773782Z",
"structure_string": "Zn3 Ni1\n1.0\n-1.832128 1.832128 3.923995\n1.832128 -1.832128 3.923995\n1.832128 1.832128 -3.923995\nZn Ni\n3 1\ndirect\n0.750000 0.250000 0.500001 Zn\n0.250000 0.750000 0.500001 Zn\n0.499999 0.499999 0.000000 Zn\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 4,
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"elements": [
"Zn",
"Ni"
],
"chemical_system": "Ni-Zn",
"density": 8.03440330060884,
"density_atomic": 0.07592065227513467,
"volume": 52.6865863257351,
"volume_molar": 7.9321509754366994,
"formula_full": "Zn3 Ni1",
"formula_reduced": "Zn3Ni",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-5098",
"created_at": "2022-09-04T14:37:00.797523Z",
"updated_at": "2022-09-04T14:37:00.797551Z",
"structure_string": "Pt2 Pb2\n1.0\n1.927353 -3.338273 0.000000\n1.927353 3.338273 0.000000\n0.000000 0.000000 7.290927\nPt Pb\n2 2\ndirect\n0.666666 0.333332 0.750000 Pt\n0.333332 0.666666 0.250000 Pt\n0.000000 0.000000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
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"elements": [
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"Pb"
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"chemical_system": "Pb-Pt",
"density": 14.240196864411363,
"density_atomic": 0.04263479034574155,
"volume": 93.82009311087249,
"volume_molar": 14.12494517074951,
"formula_full": "Pt2 Pb2",
"formula_reduced": "PtPb",
"formula_anonymous": "AB",
"energy_above_hull": 0.96508611,
"spacegroup": 194
},
{
"id": "jvasp-16234",
"created_at": "2022-09-04T14:37:07.276474Z",
"updated_at": "2022-09-04T14:37:07.276511Z",
"structure_string": "Mo4 As4\n1.0\n3.401711 0.000000 0.000000\n0.000000 6.129636 0.000000\n0.000000 0.000000 6.393821\nMo As\n4 4\ndirect\n0.250000 0.514462 0.682575 Mo\n0.750000 0.485538 0.317425 Mo\n0.250000 0.014462 0.817425 Mo\n0.750000 0.985538 0.182575 Mo\n0.250000 0.691664 0.070238 As\n0.750000 0.308336 0.929762 As\n0.250000 0.191664 0.429762 As\n0.750000 0.808337 0.570238 As\n",
"nsites": 8,
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"elements": [
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],
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"density": 8.512575647605171,
"density_atomic": 0.06000637802495378,
"volume": 133.31916145102414,
"volume_molar": 10.035834453290414,
"formula_full": "Mo4 As4",
"formula_reduced": "MoAs",
"formula_anonymous": "AB",
"energy_above_hull": 2.670513825,
"spacegroup": 62
},
{
"id": "jvasp-22664",
"created_at": "2022-09-04T14:37:07.989677Z",
"updated_at": "2022-09-04T14:37:07.989699Z",
"structure_string": "Se4 Br4\n1.0\n4.075323 -0.077307 -0.000000\n-1.031978 3.943253 -0.000000\n0.000000 0.000000 14.938059\nSe Br\n4 4\ndirect\n0.686847 0.955995 0.550403 Se\n0.455996 0.186848 0.050403 Se\n0.186848 0.455996 0.949597 Se\n0.955995 0.686847 0.449597 Se\n0.932842 0.049511 0.831035 Br\n0.432842 0.549511 0.668965 Br\n0.049511 0.932842 0.168965 Br\n0.549511 0.432842 0.331035 Br\n",
"nsites": 8,
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"elements": [
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"Br"
],
"chemical_system": "Br-Se",
"density": 4.417587330472617,
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"volume": 238.8633057294825,
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"formula_full": "Se4 Br4",
"formula_reduced": "SeBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.3949837358333333,
"spacegroup": 41
}
]
}