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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=3457",
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"results": [
{
"id": "jvasp-35262",
"created_at": "2022-09-04T14:37:56.414177Z",
"updated_at": "2022-09-04T14:37:56.414209Z",
"structure_string": "Na4 Zn6 Se8\n1.0\n2.879108 -5.537092 -0.000000\n5.923907 -0.436827 6.770859\n-3.044802 -5.100263 6.770859\nNa Zn Se\n4 6 8\ndirect\n0.741121 0.623369 0.376631 Na\n0.258879 0.376632 0.623368 Na\n0.758879 0.123369 0.876631 Na\n0.241121 0.876632 0.123368 Na\n0.750000 0.461272 0.038728 Zn\n0.250000 0.538729 0.961271 Zn\n0.750000 0.038729 0.461271 Zn\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750001 0.750000 Zn\n0.250000 0.961272 0.538728 Zn\n0.094599 0.766326 0.506116 Se\n0.594598 0.006116 0.266325 Se\n0.132960 0.266325 0.006116 Se\n0.905402 0.233675 0.493883 Se\n0.367040 0.493884 0.233675 Se\n0.405402 0.993884 0.733675 Se\n0.867040 0.733676 0.993883 Se\n0.632960 0.506117 0.766325 Se\n",
"nsites": 18,
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"density": 4.338755316122247,
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"formula_full": "Na4 Zn6 Se8",
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"spacegroup": 72
},
{
"id": "jvasp-100820",
"created_at": "2022-09-04T14:36:39.133684Z",
"updated_at": "2022-09-04T14:36:39.133711Z",
"structure_string": "Mn1 Cd1 S2\n1.0\n3.897423 -0.000079 5.830533\n1.769214 3.472721 5.830533\n-0.000129 -0.000079 7.013204\nMn Cd S\n1 1 2\ndirect\n0.498838 0.498838 0.498839 Mn\n0.001502 0.001502 0.001502 Cd\n0.130170 0.130170 0.130171 S\n0.619487 0.619488 0.619489 S\n",
"nsites": 4,
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"volume": 94.92592309928952,
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"formula_full": "Mn1 Cd1 S2",
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"formula_anonymous": "ABC2",
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"spacegroup": 160
},
{
"id": "jvasp-93749",
"created_at": "2022-09-04T14:36:00.357493Z",
"updated_at": "2022-09-04T14:36:00.357519Z",
"structure_string": "Hf4 Bi2\n1.0\n0.000000 3.836191 0.000000\n5.018845 -1.918095 2.222207\n-0.017629 0.000000 -7.403620\nHf Bi\n4 2\ndirect\n0.148857 0.297714 0.050365 Hf\n0.851142 0.702287 0.949634 Hf\n0.481514 0.963032 0.729615 Hf\n0.518485 0.036969 0.270385 Hf\n0.829586 0.659174 0.366681 Bi\n0.170413 0.340827 0.633319 Bi\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Hf",
"Bi"
],
"chemical_system": "Bi-Hf",
"density": 13.200036463971085,
"density_atomic": 0.042136770161289076,
"volume": 142.39344821716264,
"volume_molar": 14.291889807758741,
"formula_full": "Hf4 Bi2",
"formula_reduced": "Hf2Bi",
"formula_anonymous": "AB2",
"energy_above_hull": 3.459186766666667,
"spacegroup": 12
},
{
"id": "jvasp-40016",
"created_at": "2022-09-04T14:37:58.393923Z",
"updated_at": "2022-09-04T14:37:58.393947Z",
"structure_string": "Lu2 Tl1 Ag1\n1.0\n-0.000000 3.620697 3.620697\n3.620697 -0.000000 3.620697\n3.620697 3.620697 0.000000\nLu Tl Ag\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500001 0.500001 0.500001 Lu\n0.750001 0.750001 0.750001 Tl\n0.249999 0.249999 0.249999 Ag\n",
"nsites": 4,
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"elements": [
"Lu",
"Tl",
"Ag"
],
"chemical_system": "Ag-Lu-Tl",
"density": 11.583031088835684,
"density_atomic": 0.04213601395290611,
"volume": 94.93066915324869,
"volume_molar": 14.29214630204634,
"formula_full": "Lu2 Tl1 Ag1",
"formula_reduced": "Lu2TlAg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3550428399999999,
"spacegroup": 225
},
{
"id": "jvasp-96974",
"created_at": "2022-09-04T14:36:53.012911Z",
"updated_at": "2022-09-04T14:36:53.012933Z",
"structure_string": "Rb2 Fe4 Se6\n1.0\n5.366296 0.000000 0.000000\n-0.000000 7.214818 -1.469129\n-0.000000 -0.034177 7.362797\nRb Fe Se\n2 4 6\ndirect\n0.250000 0.330039 0.669961 Rb\n0.750001 0.669961 0.330039 Rb\n0.000000 0.140612 0.140612 Fe\n0.500000 0.859388 0.859388 Fe\n0.000000 0.859388 0.859388 Fe\n0.500000 0.140612 0.140612 Fe\n0.750001 0.168642 0.391126 Se\n0.250000 0.831358 0.608874 Se\n0.750001 0.118793 0.881207 Se\n0.250000 0.881206 0.118794 Se\n0.750001 0.608874 0.831358 Se\n0.250000 0.391126 0.168642 Se\n",
"nsites": 12,
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"elements": [
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"Fe",
"Se"
],
"chemical_system": "Fe-Rb-Se",
"density": 5.061444821678738,
"density_atomic": 0.04213559258063139,
"volume": 284.794855490322,
"volume_molar": 14.292289229054814,
"formula_full": "Rb2 Fe4 Se6",
"formula_reduced": "RbFe2Se3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.77359685,
"spacegroup": 63
},
{
"id": "jvasp-18255",
"created_at": "2022-09-04T14:38:14.327029Z",
"updated_at": "2022-09-04T14:38:14.327048Z",
"structure_string": "In1 Fe2 Cu1 Se4\n1.0\n5.239987 0.000000 -2.350528\n-1.054389 5.132808 -2.350528\n0.012928 0.015854 7.044783\nIn Fe Cu Se\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 In\n0.750001 0.250000 0.500000 Fe\n0.250000 0.750000 0.500000 Fe\n0.500000 0.500000 -0.000000 Cu\n0.399735 0.399735 0.265733 Se\n0.600266 0.134001 0.734266 Se\n0.134002 0.600265 0.734266 Se\n0.865999 0.865999 0.265733 Se\n",
"nsites": 8,
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"elements": [
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"Se"
],
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"density": 5.299058081056572,
"density_atomic": 0.0421349921544906,
"volume": 189.865942555952,
"volume_molar": 14.292492895025214,
"formula_full": "In1 Fe2 Cu1 Se4",
"formula_reduced": "InFe2CuSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.6533893608333332,
"spacegroup": 121
},
{
"id": "jvasp-39833",
"created_at": "2022-09-04T14:37:38.964922Z",
"updated_at": "2022-09-04T14:37:38.964942Z",
"structure_string": "Yb2 Hg1 Ge1\n1.0\n-0.000000 3.620754 3.620754\n3.620754 -0.000000 3.620754\n3.620754 3.620754 -0.000000\nYb Hg Ge\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.499999 0.499999 0.499999 Yb\n0.750000 0.750000 0.750000 Hg\n0.250000 0.250000 0.250000 Ge\n",
"nsites": 4,
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"elements": [
"Yb",
"Hg",
"Ge"
],
"chemical_system": "Ge-Hg-Yb",
"density": 10.832535900345942,
"density_atomic": 0.04213402399585373,
"volume": 94.93515265462483,
"volume_molar": 14.292821308955961,
"formula_full": "Yb2 Hg1 Ge1",
"formula_reduced": "Yb2HgGe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-40244",
"created_at": "2022-09-04T14:37:52.706607Z",
"updated_at": "2022-09-04T14:37:52.706632Z",
"structure_string": "Sm1 Mg1 Cd2\n1.0\n-0.000405 3.620572 3.620572\n3.620572 -0.000405 3.620572\n3.620572 3.620572 -0.000405\nSm Mg Cd\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Sm\n0.250000 0.250000 0.250000 Mg\n0.000022 0.000022 0.000022 Cd\n0.499978 0.499978 0.499978 Cd\n",
"nsites": 4,
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"elements": [
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"Mg",
"Cd"
],
"chemical_system": "Cd-Mg-Sm",
"density": 6.987427632389546,
"density_atomic": 0.042133308735558435,
"volume": 94.93676428559709,
"volume_molar": 14.293063945670164,
"formula_full": "Sm1 Mg1 Cd2",
"formula_reduced": "SmMgCd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-93520",
"created_at": "2022-09-04T14:35:55.772612Z",
"updated_at": "2022-09-04T14:35:55.772639Z",
"structure_string": "Te2 Mo2 Se2\n1.0\n3.445015 0.000030 -0.001243\n-1.722495 2.983490 0.001312\n0.002849 -0.002207 13.856110\nTe Mo Se\n2 2 2\ndirect\n0.333281 0.666924 0.685227 Te\n0.333152 0.667004 0.416808 Te\n0.333452 0.666370 0.050849 Mo\n0.666551 0.333628 0.551019 Mo\n0.666729 0.333084 0.932794 Se\n0.666844 0.332986 0.168906 Se\n",
"nsites": 6,
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"elements": [
"Te",
"Mo",
"Se"
],
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"density": 7.054158510286622,
"density_atomic": 0.042130051742458034,
"volume": 142.41615549579993,
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"formula_full": "Te2 Mo2 Se2",
"formula_reduced": "TeMoSe",
"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"id": "jvasp-40153",
"created_at": "2022-09-04T14:37:45.450503Z",
"updated_at": "2022-09-04T14:37:45.450533Z",
"structure_string": "Ca2 Sn1 S4\n1.0\n0.000000 3.938700 -0.000000\n5.756098 -1.969350 -3.305309\n-0.117213 0.000000 -7.261462\nCa Sn S\n2 1 4\ndirect\n0.298363 0.596727 0.683179 Ca\n0.701637 0.403274 0.316820 Ca\n0.000000 0.000000 0.000000 Sn\n0.358745 0.717489 0.009417 S\n0.641256 0.282512 0.990583 S\n0.103819 0.207639 0.608876 S\n0.896181 0.792362 0.391123 S\n",
"nsites": 7,
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],
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"density": 3.2692794935322422,
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"volume": 166.1545009459236,
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"formula_full": "Ca2 Sn1 S4",
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"formula_anonymous": "AB2C4",
"energy_above_hull": 0.9608360771428572,
"spacegroup": 12
},
{
"id": "jvasp-37746",
"created_at": "2022-09-04T14:38:14.290877Z",
"updated_at": "2022-09-04T14:38:14.290893Z",
"structure_string": "Pm2 Pt1 Au1\n1.0\n0.000000 3.620920 3.620920\n3.620920 0.000000 3.620920\n3.620920 3.620920 0.000000\nPm Pt Au\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Pm\n0.750000 0.750000 0.750000 Pt\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
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"density": 11.928309203397816,
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"volume": 94.94821067336537,
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"formula_full": "Pm2 Pt1 Au1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-39776",
"created_at": "2022-09-04T14:37:45.927209Z",
"updated_at": "2022-09-04T14:37:45.927235Z",
"structure_string": "Yb1 Nd1 Zn2\n1.0\n0.000000 3.620942 3.620942\n3.620942 -0.000000 3.620942\n3.620942 3.620942 0.000000\nYb Nd Zn\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Yb\n0.250000 0.250000 0.250000 Nd\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n",
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"elements": [
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"volume": 94.94994134401787,
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}
]
}