HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=4585",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=4583",
"results": [
{
"id": "jvasp-67184",
"created_at": "2022-09-04T14:35:42.689835Z",
"updated_at": "2022-09-04T14:35:42.689866Z",
"structure_string": "Be2 Sb1 Se1\n1.0\n3.377882 0.000000 0.000000\n0.000000 3.377882 0.000000\n-0.000000 0.000000 6.632201\nBe Sb Se\n2 1 1\ndirect\n0.000000 0.000000 0.000198 Be\n0.500000 0.500000 0.213882 Be\n0.000000 0.000000 0.393585 Sb\n0.500000 0.500000 0.892335 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Sb",
"Se"
],
"chemical_system": "Be-Sb-Se",
"density": 4.799979044632636,
"density_atomic": 0.052858320887878785,
"volume": 75.67398912433598,
"volume_molar": 11.39298535943651,
"formula_full": "Be2 Sb1 Se1",
"formula_reduced": "Be2SbSe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.672305416666667,
"spacegroup": 99
},
{
"id": "jvasp-65051",
"created_at": "2022-09-04T14:35:42.687339Z",
"updated_at": "2022-09-04T14:35:42.687361Z",
"structure_string": "Be1 Bi4 P1\n1.0\n0.000000 4.530452 4.530452\n4.530452 0.000000 4.530452\n4.530452 4.530452 -0.000000\nBe Bi P\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.125199 0.624934 0.624934 Bi\n0.624934 0.624934 0.624934 Bi\n0.624934 0.125199 0.624934 Bi\n0.624934 0.624934 0.125199 Bi\n0.250000 0.250000 0.250000 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Bi",
"P"
],
"chemical_system": "Be-Bi-P",
"density": 7.820828605252832,
"density_atomic": 0.03226239873801782,
"volume": 185.97501223396748,
"volume_molar": 18.66612835859457,
"formula_full": "Be1 Bi4 P1",
"formula_reduced": "BeBi4P",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.7201148,
"spacegroup": 216
},
{
"id": "jvasp-66244",
"created_at": "2022-09-04T14:35:42.679168Z",
"updated_at": "2022-09-04T14:35:42.679196Z",
"structure_string": "Ba1 Zn1 Bi1\n1.0\n0.000000 3.947518 3.947518\n3.947518 0.000000 3.947518\n3.947518 3.947518 0.000000\nBa Zn Bi\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Bi"
],
"chemical_system": "Ba-Bi-Zn",
"density": 5.557057768471473,
"density_atomic": 0.024384783388335964,
"volume": 123.02754353909896,
"volume_molar": 24.696306151649413,
"formula_full": "Ba1 Zn1 Bi1",
"formula_reduced": "BaZnBi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-2154",
"created_at": "2022-09-04T14:35:42.679069Z",
"updated_at": "2022-09-04T14:35:42.679091Z",
"structure_string": "Zn2 F4\n1.0\n4.745809 0.000000 0.000000\n0.000000 4.745809 0.000000\n0.000000 0.000000 3.179803\nZn F\n2 4\ndirect\n0.500000 0.500000 0.499999 Zn\n0.000000 0.000000 0.000000 Zn\n0.696844 0.696844 0.000000 F\n0.196843 0.803157 0.499999 F\n0.303157 0.303157 0.000000 F\n0.803157 0.196843 0.499999 F\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zn",
"F"
],
"chemical_system": "F-Zn",
"density": 4.795162098993239,
"density_atomic": 0.08377810340387323,
"volume": 71.6177587725459,
"volume_molar": 7.188203737399937,
"formula_full": "Zn2 F4",
"formula_reduced": "ZnF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 136
},
{
"id": "jvasp-65654",
"created_at": "2022-09-04T14:35:42.678306Z",
"updated_at": "2022-09-04T14:35:42.678325Z",
"structure_string": "Ba1 Tl1 Se2\n1.0\n4.183309 0.000000 0.000000\n-0.000000 4.183215 0.000000\n0.000000 0.000000 6.934720\nBa Tl Se\n1 1 2\ndirect\n0.500000 0.499999 0.500000 Ba\n0.500000 0.499999 0.000000 Tl\n0.000000 0.000000 0.737645 Se\n0.000000 0.000000 0.262355 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Se"
],
"chemical_system": "Ba-Se-Tl",
"density": 6.8365784894422195,
"density_atomic": 0.032961041789849,
"volume": 121.35538753607837,
"volume_molar": 18.27048064316534,
"formula_full": "Ba1 Tl1 Se2",
"formula_reduced": "BaTlSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2633983416666666,
"spacegroup": 123
},
{
"id": "jvasp-91931",
"created_at": "2022-09-04T14:35:42.674144Z",
"updated_at": "2022-09-04T14:35:42.674173Z",
"structure_string": "K3 Na1 H4\n1.0\n5.473160 0.000000 0.000000\n0.000000 5.473160 0.000000\n0.000000 0.000000 5.473160\nK Na H\n3 1 4\ndirect\n0.000000 0.000000 0.500000 K\n0.000000 0.500000 0.000000 K\n0.500000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 H\n0.500000 0.500000 0.000000 H\n0.500000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Na",
"H"
],
"chemical_system": "H-K-Na",
"density": 1.4616737225300531,
"density_atomic": 0.04879502603675333,
"volume": 163.9511370272505,
"volume_molar": 12.341710311751882,
"formula_full": "K3 Na1 H4",
"formula_reduced": "K3NaH4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.954987875,
"spacegroup": 221
},
{
"id": "jvasp-71351",
"created_at": "2022-09-04T14:35:42.669624Z",
"updated_at": "2022-09-04T14:35:42.669643Z",
"structure_string": "Be1 Tl2 In1\n1.0\n3.325853 -0.000000 0.000000\n-0.000000 3.325853 0.000000\n0.000000 0.000000 8.777435\nBe Tl In\n1 2 1\ndirect\n0.000000 0.000000 0.525370 Be\n0.000000 0.000000 0.981523 Tl\n0.500000 0.500000 0.304491 Tl\n0.500000 0.500000 0.688618 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Tl",
"In"
],
"chemical_system": "Be-In-Tl",
"density": 9.109067363611727,
"density_atomic": 0.041198961562594665,
"volume": 97.08982576958147,
"volume_molar": 14.617214928707373,
"formula_full": "Be1 Tl2 In1",
"formula_reduced": "BeTl2In",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1280110312499999,
"spacegroup": 99
},
{
"id": "jvasp-87070",
"created_at": "2022-09-04T14:35:42.667878Z",
"updated_at": "2022-09-04T14:35:42.667906Z",
"structure_string": "Ca4 Sb4 Pt4\n1.0\n4.628154 -0.000000 0.000000\n0.000000 7.359112 0.000000\n0.000000 0.000000 7.978440\nCa Sb Pt\n4 4 4\ndirect\n0.749999 0.992818 0.301568 Ca\n0.250000 0.007182 0.698432 Ca\n0.749999 0.492818 0.198432 Ca\n0.250000 0.507182 0.801568 Ca\n0.749999 0.312066 0.590560 Sb\n0.250000 0.187934 0.090560 Sb\n0.250000 0.687934 0.409440 Sb\n0.749999 0.812066 0.909440 Sb\n0.250000 0.800090 0.084958 Pt\n0.250000 0.300090 0.415042 Pt\n0.749999 0.699910 0.584958 Pt\n0.749999 0.199910 0.915042 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Sb",
"Pt"
],
"chemical_system": "Ca-Pt-Sb",
"density": 8.724312415985942,
"density_atomic": 0.044160100039873744,
"volume": 271.7385148395218,
"volume_molar": 13.637063218974578,
"formula_full": "Ca4 Sb4 Pt4",
"formula_reduced": "CaSbPt",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7861326400000003,
"spacegroup": 62
},
{
"id": "jvasp-74975",
"created_at": "2022-09-04T14:35:42.666231Z",
"updated_at": "2022-09-04T14:35:42.666251Z",
"structure_string": "Mn1 Be2 Ir1\n1.0\n-1.776300 1.776300 3.457555\n1.776300 -1.776300 3.457555\n1.776300 1.776300 -3.457555\nMn Be Ir\n1 2 1\ndirect\n0.750000 0.250000 0.500000 Mn\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.499999 0.499999 0.000000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Be",
"Ir"
],
"chemical_system": "Be-Ir-Mn",
"density": 10.090836644677855,
"density_atomic": 0.09166388734415865,
"volume": 43.6376867258718,
"volume_molar": 6.5698072975995885,
"formula_full": "Mn1 Be2 Ir1",
"formula_reduced": "MnBe2Ir",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.083585135344827,
"spacegroup": 119
},
{
"id": "jvasp-28709",
"created_at": "2022-09-04T14:35:42.662781Z",
"updated_at": "2022-09-04T14:35:42.662801Z",
"structure_string": "Te4 Mo4 S4\n1.0\n3.369107 -0.000002 0.000007\n-1.684556 2.917735 -0.000040\n0.000076 -0.000429 35.701786\nTe Mo S\n4 4 4\ndirect\n0.333337 0.666680 0.335140 Te\n0.333361 0.666727 0.709632 Te\n0.333351 0.666698 0.229040 Te\n0.333339 0.666670 0.603665 Te\n0.333314 0.666630 0.094751 Mo\n0.333324 0.666646 0.469383 Mo\n0.666679 0.333355 0.282094 Mo\n0.666685 0.333365 0.656722 Mo\n0.666637 0.333269 0.052444 S\n0.666653 0.333300 0.427055 S\n0.666660 0.333326 0.137118 S\n0.666663 0.333327 0.511705 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Te",
"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 4.8375781183461415,
"density_atomic": 0.0341924958935592,
"volume": 350.95419876208643,
"volume_molar": 17.612463210485853,
"formula_full": "Te4 Mo4 S4",
"formula_reduced": "TeMoS",
"formula_anonymous": "ABC",
"energy_above_hull": 2.436967888888889,
"spacegroup": 156
},
{
"id": "jvasp-49836",
"created_at": "2022-09-04T14:35:42.660683Z",
"updated_at": "2022-09-04T14:35:42.660700Z",
"structure_string": "Ce1 Ti1 O3\n1.0\n3.927957 -0.000000 0.000000\n-0.000000 3.927957 0.000000\n-0.000000 -0.000000 3.927957\nCe Ti O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Ti\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Ti",
"O"
],
"chemical_system": "Ce-O-Ti",
"density": 6.465860464862118,
"density_atomic": 0.08250301690849728,
"volume": 60.60384440905254,
"volume_molar": 7.299297632569069,
"formula_full": "Ce1 Ti1 O3",
"formula_reduced": "CeTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.148904866666667,
"spacegroup": 221
},
{
"id": "jvasp-28959",
"created_at": "2022-09-04T14:35:42.660132Z",
"updated_at": "2022-09-04T14:35:42.660158Z",
"structure_string": "Te4 Mo2 W2 Se2 S2\n1.0\n3.404395 -0.000140 0.000163\n-1.702318 2.948570 0.001017\n0.001682 0.013335 35.143388\nTe Mo W Se S\n4 2 2 2 2\ndirect\n0.333174 0.666392 0.728524 Te\n0.666769 0.333365 0.413563 Te\n0.666413 0.332613 0.520327 Te\n0.333804 0.667627 0.621293 Te\n0.333202 0.666270 0.466975 Mo\n0.666567 0.333041 0.270455 Mo\n0.333310 0.666916 0.090581 W\n0.666917 0.333759 0.674970 W\n0.333009 0.665973 0.317367 Se\n0.333436 0.666791 0.223552 Se\n0.666958 0.334139 0.047671 S\n0.666448 0.333121 0.133471 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 6.0817747637456145,
"density_atomic": 0.03401704665804328,
"volume": 352.76431021864204,
"volume_molar": 17.70330276034141,
"formula_full": "Te4 Mo2 W2 Se2 S2",
"formula_reduced": "Te2MoWSeS",
"formula_anonymous": "ABCDE2",
"energy_above_hull": 3.462604133333333,
"spacegroup": 156
}
]
}