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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=825",
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"results": [
{
"id": "jvasp-67773",
"created_at": "2022-09-04T14:36:03.696677Z",
"updated_at": "2022-09-04T14:36:03.696698Z",
"structure_string": "Ca1 Be1 Br1\n1.0\n-1.795226 1.795226 6.236544\n1.795226 -1.795226 6.236544\n1.795226 1.795226 -6.236544\nCa Be Br\n1 1 1\ndirect\n0.330268 0.330268 0.000000 Ca\n0.968439 0.968439 0.000000 Be\n0.701293 0.701293 0.000000 Br\n",
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"density_atomic": 0.03731461918499133,
"volume": 80.39744383098673,
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"formula_full": "Ca1 Be1 Br1",
"formula_reduced": "CaBeBr",
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{
"id": "jvasp-10273",
"created_at": "2022-09-04T14:38:06.139499Z",
"updated_at": "2022-09-04T14:38:06.139525Z",
"structure_string": "K4 Mn2 S4\n1.0\n5.728395 0.000000 -2.455901\n-1.292526 5.979332 -3.014821\n-0.040034 0.042474 7.815321\nK Mn S\n4 2 4\ndirect\n0.352510 0.193983 0.705018 K\n0.147491 0.488964 0.294982 K\n0.647491 0.806017 0.294982 K\n0.852510 0.511035 0.705018 K\n0.250000 -0.000000 0.000000 Mn\n0.750001 -0.000000 0.000000 Mn\n0.396389 0.700833 0.792777 S\n0.103611 0.908055 0.207222 S\n0.603612 0.299166 0.207223 S\n0.896390 0.091945 0.792778 S\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "K-Mn-S",
"density": 2.444787476487936,
"density_atomic": 0.03731751910430641,
"volume": 267.97065399896877,
"volume_molar": 16.13756997931047,
"formula_full": "K4 Mn2 S4",
"formula_reduced": "K2MnS2",
"formula_anonymous": "AB2C2",
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{
"id": "jvasp-106741",
"created_at": "2022-09-04T14:36:53.044212Z",
"updated_at": "2022-09-04T14:36:53.044230Z",
"structure_string": "Sn4 Se2 S2\n1.0\n4.119707 0.000000 0.000000\n0.000000 4.491672 0.000000\n0.000000 0.000000 11.584746\nSn Se S\n4 2 2\ndirect\n-0.000000 0.109722 0.617735 Sn\n-0.000000 0.890278 0.117735 Sn\n0.500000 0.350242 0.376202 Sn\n0.500000 0.649757 0.876202 Sn\n-0.000000 0.773874 0.356492 Se\n-0.000000 0.226126 0.856492 Se\n0.500000 0.725673 0.649573 S\n0.500000 0.274326 0.149573 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Se",
"S"
],
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"density": 5.398243241916069,
"density_atomic": 0.03731892341204117,
"volume": 214.3684562298695,
"volume_molar": 16.136962724002164,
"formula_full": "Sn4 Se2 S2",
"formula_reduced": "Sn2SeS",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8973816916666666,
"spacegroup": 26
},
{
"id": "jvasp-76235",
"created_at": "2022-09-04T14:37:05.328896Z",
"updated_at": "2022-09-04T14:37:05.328929Z",
"structure_string": "Tb16 Mg4 Ir4\n1.0\n8.390647 0.000000 4.844342\n2.796883 7.910778 4.844342\n-0.000000 0.000000 9.688685\nTb Mg Ir\n16 4 4\ndirect\n0.811952 0.811952 0.188048 Tb\n0.040562 0.653146 0.653146 Tb\n0.653146 0.040562 0.653146 Tb\n0.188048 0.811952 0.188048 Tb\n0.436438 0.436438 0.063562 Tb\n0.436438 0.063562 0.436438 Tb\n0.063562 0.436438 0.436438 Tb\n0.188048 0.811952 0.811951 Tb\n0.063562 0.063562 0.436438 Tb\n0.811952 0.188048 0.188048 Tb\n0.063562 0.436438 0.063562 Tb\n0.653146 0.653146 0.653146 Tb\n0.653146 0.653146 0.040562 Tb\n0.436438 0.063562 0.063562 Tb\n0.188048 0.188048 0.811951 Tb\n0.811952 0.188048 0.811951 Tb\n0.420209 0.739374 0.420208 Mg\n0.739374 0.420209 0.420208 Mg\n0.420209 0.420209 0.420208 Mg\n0.420209 0.420209 0.739373 Mg\n0.858576 0.858576 0.858575 Ir\n0.858576 0.424273 0.858575 Ir\n0.424273 0.858576 0.858576 Ir\n0.858576 0.858576 0.424273 Ir\n",
"nsites": 24,
"nelements": 3,
"elements": [
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"Mg",
"Ir"
],
"chemical_system": "Ir-Mg-Tb",
"density": 8.802034362882875,
"density_atomic": 0.0373191512408289,
"volume": 643.1014426111298,
"volume_molar": 16.136864209847023,
"formula_full": "Tb16 Mg4 Ir4",
"formula_reduced": "Tb4MgIr",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.6794656249999995,
"spacegroup": 216
},
{
"id": "jvasp-254",
"created_at": "2022-09-04T14:37:16.895564Z",
"updated_at": "2022-09-04T14:37:16.895585Z",
"structure_string": "Pb1 S1\n1.0\n3.664950 0.000000 2.115960\n1.221650 3.455348 2.115960\n0.000000 0.000000 4.231920\nPb S\n1 1\ndirect\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 S\n",
"nsites": 2,
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"elements": [
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"S"
],
"chemical_system": "Pb-S",
"density": 7.413631154735488,
"density_atomic": 0.03731923212502215,
"volume": 53.59167073159099,
"volume_molar": 16.136829235460656,
"formula_full": "Pb1 S1",
"formula_reduced": "PbS",
"formula_anonymous": "AB",
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"spacegroup": 225
},
{
"id": "jvasp-1112",
"created_at": "2022-09-04T14:37:03.996668Z",
"updated_at": "2022-09-04T14:37:03.996696Z",
"structure_string": "Pb1 S1\n1.0\n3.664950 0.000000 2.115960\n1.221650 3.455348 2.115960\n0.000000 0.000000 4.231920\nPb S\n1 1\ndirect\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 S\n",
"nsites": 2,
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"elements": [
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"S"
],
"chemical_system": "Pb-S",
"density": 7.413631154735488,
"density_atomic": 0.03731923212502215,
"volume": 53.59167073159099,
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"formula_full": "Pb1 S1",
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"spacegroup": 225
},
{
"id": "jvasp-78355",
"created_at": "2022-09-04T14:37:56.318323Z",
"updated_at": "2022-09-04T14:37:56.318347Z",
"structure_string": "Pb1 S1\n1.0\n-3.734257 0.000000 1.990140\n-2.397442 3.486774 0.000000\n-3.590441 0.098885 -2.238517\nPb S\n1 1\ndirect\n0.977916 0.977914 0.066255 Pb\n0.477684 0.477683 0.566947 S\n",
"nsites": 2,
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"elements": [
"Pb",
"S"
],
"chemical_system": "Pb-S",
"density": 7.413930951922551,
"density_atomic": 0.03732074126414452,
"volume": 53.58950364475952,
"volume_molar": 16.136176710363742,
"formula_full": "Pb1 S1",
"formula_reduced": "PbS",
"formula_anonymous": "AB",
"energy_above_hull": 0.3972304099999999,
"spacegroup": 225
},
{
"id": "jvasp-92850",
"created_at": "2022-09-04T14:35:43.240731Z",
"updated_at": "2022-09-04T14:35:43.240754Z",
"structure_string": "Ba1 Mg6 Ga1\n1.0\n6.718723 0.770933 0.000000\n-2.691714 6.204048 0.000000\n0.000000 0.000000 4.898525\nBa Mg Ga\n1 6 1\ndirect\n0.121166 0.378834 0.250000 Ba\n0.210097 0.904676 0.250000 Mg\n0.595324 0.289903 0.250000 Mg\n0.692929 0.807071 0.250000 Mg\n0.399169 0.719587 0.750001 Mg\n0.780413 0.100830 0.750001 Mg\n0.869193 0.630807 0.750001 Mg\n0.331709 0.168290 0.750001 Ga\n",
"nsites": 8,
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"elements": [
"Ba",
"Mg",
"Ga"
],
"chemical_system": "Ba-Ga-Mg",
"density": 2.7336900304180047,
"density_atomic": 0.03732184575623453,
"volume": 214.3516709289121,
"volume_molar": 16.13569918093886,
"formula_full": "Ba1 Mg6 Ga1",
"formula_reduced": "BaMg6Ga",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0031562499999999,
"spacegroup": 38
},
{
"id": "jvasp-107408",
"created_at": "2022-09-04T14:36:51.320586Z",
"updated_at": "2022-09-04T14:36:51.320606Z",
"structure_string": "Rb2 Er1 Cu1 Cl6\n1.0\n6.266784 -0.000000 3.618130\n2.088928 5.908381 3.618130\n-0.000000 -0.000000 7.236259\nRb Er Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Cu\n0.746424 0.253575 0.253576 Cl\n0.253575 0.253575 0.746425 Cl\n0.253576 0.746424 0.746425 Cl\n0.253576 0.746424 0.253576 Cl\n0.746424 0.253575 0.746425 Cl\n0.746424 0.746424 0.253576 Cl\n",
"nsites": 10,
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"elements": [
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"Er",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-Er-Rb",
"density": 3.808153124908135,
"density_atomic": 0.03732266773018701,
"volume": 267.93368770667706,
"volume_molar": 16.135343817154908,
"formula_full": "Rb2 Er1 Cu1 Cl6",
"formula_reduced": "Rb2ErCuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-97977",
"created_at": "2022-09-04T14:36:09.844869Z",
"updated_at": "2022-09-04T14:36:09.844888Z",
"structure_string": "Rb4 B4 Se12\n1.0\n6.208857 0.011997 0.000000\n-1.960142 6.957668 0.000000\n0.000000 0.000000 12.397664\nRb B Se\n4 4 12\ndirect\n0.208298 0.256254 0.424539 Rb\n0.791703 0.743747 0.575460 Rb\n0.708298 0.256254 0.075460 Rb\n0.291703 0.743747 0.924539 Rb\n0.674980 0.697180 0.229176 B\n0.174980 0.697179 0.270824 B\n0.325021 0.302821 0.770824 B\n0.825021 0.302821 0.729176 B\n0.322172 0.055026 0.681481 Se\n0.822172 0.055026 0.818519 Se\n0.677829 0.944975 0.318519 Se\n0.333784 0.794722 0.413772 Se\n0.666217 0.205279 0.586228 Se\n0.833785 0.794722 0.086228 Se\n0.356884 0.532396 0.191490 Se\n0.143116 0.467604 0.691490 Se\n0.643117 0.467605 0.808510 Se\n0.856885 0.532396 0.308510 Se\n0.177829 0.944975 0.181481 Se\n0.166216 0.205278 0.913772 Se\n",
"nsites": 20,
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"elements": [
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],
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"density": 4.129607818123257,
"density_atomic": 0.03732316176689458,
"volume": 535.8602822802617,
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"formula_full": "Rb4 B4 Se12",
"formula_reduced": "RbBSe3",
"formula_anonymous": "ABC3",
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"spacegroup": 14
},
{
"id": "jvasp-56914",
"created_at": "2022-09-04T14:37:07.542035Z",
"updated_at": "2022-09-04T14:37:07.542046Z",
"structure_string": "K4 Na2 B2 P4\n1.0\n4.837111 0.000152 1.166706\n2.406000 6.227209 0.636229\n-0.014431 0.025830 10.670751\nK Na B P\n4 2 2 4\ndirect\n0.982863 0.855811 0.178500 K\n0.177050 0.236705 0.409191 K\n0.017137 0.144189 0.821500 K\n0.822950 0.763295 0.590809 K\n0.297854 0.537328 0.866905 Na\n0.702146 0.462672 0.133096 Na\n0.500000 0.500000 0.500000 B\n0.500000 -0.000000 0.000000 B\n0.334593 0.240299 0.090612 P\n0.466766 0.693842 0.372671 P\n0.665407 0.759701 0.909388 P\n0.533234 0.306158 0.627329 P\n",
"nsites": 12,
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],
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"density": 1.7967570658729926,
"density_atomic": 0.03732328243244311,
"volume": 321.51512991175315,
"volume_molar": 16.135078073318866,
"formula_full": "K4 Na2 B2 P4",
"formula_reduced": "K2NaBP2",
"formula_anonymous": "ABC2D2",
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"spacegroup": 12
},
{
"id": "jvasp-103625",
"created_at": "2022-09-04T14:37:12.960639Z",
"updated_at": "2022-09-04T14:37:12.960668Z",
"structure_string": "Pm2 Al1 In1\n1.0\n4.617370 -0.000000 2.665840\n1.539123 4.353298 2.665840\n-0.000000 -0.000000 5.331679\nPm Al In\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pm\n0.749999 0.750000 0.750000 Pm\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
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],
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"volume": 107.17094705712314,
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"formula_anonymous": "ABC2",
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"spacegroup": 225
}
]
}