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=volume_molar&page=3475",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=3473",
"results": [
{
"id": "jvasp-119161",
"created_at": "2022-09-04T14:38:35.955969Z",
"updated_at": "2022-09-04T14:38:35.955997Z",
"structure_string": "Na6 Cd7 S10\n1.0\n12.796324 0.013427 4.089141\n12.112430 4.127361 4.089141\n0.013402 0.002228 10.426370\nNa Cd S\n6 7 10\ndirect\n0.707389 0.707390 0.378045 Na\n0.300507 0.300508 0.583186 Na\n0.119687 0.119688 0.249302 Na\n0.892649 0.892650 0.759240 Na\n0.989534 0.989535 0.184374 Na\n0.002843 0.002843 0.818470 Na\n0.350398 0.350398 0.047293 Cd\n0.751019 0.751021 0.900616 Cd\n0.159851 0.159852 0.711904 Cd\n0.608654 0.608655 0.030792 Cd\n0.445629 0.445630 0.476361 Cd\n0.563071 0.563072 0.520892 Cd\n0.846085 0.846087 0.298199 Cd\n0.909766 0.909767 0.050507 S\n0.535751 0.535752 0.290759 S\n0.471675 0.471676 0.693953 S\n0.886959 0.886960 0.486807 S\n0.122572 0.122573 0.510092 S\n0.683676 0.683677 0.126940 S\n0.314476 0.314477 0.848729 S\n0.287866 0.287866 0.303330 S\n0.720098 0.720100 0.682136 S\n0.081029 0.081030 0.931075 S\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Na",
"Cd",
"S"
],
"chemical_system": "Cd-Na-S",
"density": 3.768883703770804,
"density_atomic": 0.041914060217188534,
"volume": 548.7418751802988,
"volume_molar": 14.367829622791781,
"formula_full": "Na6 Cd7 S10",
"formula_reduced": "Na6Cd7S10",
"formula_anonymous": "A6B7C10",
"energy_above_hull": 0.0379696630434781,
"spacegroup": 8
},
{
"id": "jvasp-115716",
"created_at": "2022-09-04T14:38:46.761884Z",
"updated_at": "2022-09-04T14:38:46.761910Z",
"structure_string": "Pd1 Se1 Br1\n1.0\n2.903296 0.000000 -0.000000\n-0.000000 2.903296 0.000000\n-0.000000 -0.000000 8.492168\nPd Se Br\n1 1 1\ndirect\n0.000000 0.000000 0.675966 Pd\n0.000000 0.000000 -0.045660 Se\n0.000000 0.000000 0.379950 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Pd",
"Se",
"Br"
],
"chemical_system": "Br-Pd-Se",
"density": 6.15402060533069,
"density_atomic": 0.04191023017375616,
"volume": 71.58156821287456,
"volume_molar": 14.369142653315741,
"formula_full": "Pd1 Se1 Br1",
"formula_reduced": "PdSeBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.9078010572222222,
"spacegroup": 99
},
{
"id": "jvasp-30208",
"created_at": "2022-09-04T14:37:06.181658Z",
"updated_at": "2022-09-04T14:37:06.181690Z",
"structure_string": "Pr2 Br2 O2\n1.0\n2.024491 1.168840 10.083573\n-2.024491 1.168840 10.083573\n0.000000 -2.337680 10.083573\nPr Br O\n2 2 2\ndirect\n0.216499 0.216499 0.216499 Pr\n0.783500 0.783500 0.783500 Pr\n0.385105 0.385105 0.385105 Br\n0.614895 0.614895 0.614895 Br\n0.137224 0.137224 0.137224 O\n0.862776 0.862776 0.862776 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pr",
"Br",
"O"
],
"chemical_system": "Br-O-Pr",
"density": 5.493440733422582,
"density_atomic": 0.04190970822284807,
"volume": 143.16491940473492,
"volume_molar": 14.369321609156152,
"formula_full": "Pr2 Br2 O2",
"formula_reduced": "PrBrO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1968558183333335,
"spacegroup": 166
},
{
"id": "jvasp-85127",
"created_at": "2022-09-04T14:37:14.084957Z",
"updated_at": "2022-09-04T14:37:14.084983Z",
"structure_string": "La2 Rh2\n1.0\n-3.994387 -0.000000 0.000000\n0.000000 -0.000000 -4.236303\n1.997194 -5.640401 0.000000\nLa Rh\n2 2\ndirect\n0.860968 0.749999 0.721932 La\n0.139034 0.250000 0.278068 La\n0.589539 0.749999 0.179076 Rh\n0.410463 0.250000 0.820924 Rh\n",
"nsites": 4,
"nelements": 2,
"elements": [
"La",
"Rh"
],
"chemical_system": "La-Rh",
"density": 8.414105565582709,
"density_atomic": 0.04190953628195551,
"volume": 95.44367117519819,
"volume_molar": 14.369380561704954,
"formula_full": "La2 Rh2",
"formula_reduced": "LaRh",
"formula_anonymous": "AB",
"energy_above_hull": 1.190539,
"spacegroup": 63
},
{
"id": "jvasp-17893",
"created_at": "2022-09-04T14:38:15.476742Z",
"updated_at": "2022-09-04T14:38:15.476769Z",
"structure_string": "Na2 Mn2 Sb2\n1.0\n4.393187 0.000000 0.000000\n0.000000 4.393187 0.000000\n0.000000 0.000000 7.417882\nNa Mn Sb\n2 2 2\ndirect\n0.000000 0.500000 0.654009 Na\n0.500000 0.000000 0.345990 Na\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.219185 Sb\n0.500000 0.000000 0.780815 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"Mn",
"Sb"
],
"chemical_system": "Mn-Na-Sb",
"density": 4.632243241880374,
"density_atomic": 0.04190944892764532,
"volume": 143.16580517101804,
"volume_molar": 14.369410512643443,
"formula_full": "Na2 Mn2 Sb2",
"formula_reduced": "NaMnSb",
"formula_anonymous": "ABC",
"energy_above_hull": 1.4884541137931038,
"spacegroup": 129
},
{
"id": "jvasp-41789",
"created_at": "2022-09-04T14:37:27.313034Z",
"updated_at": "2022-09-04T14:37:27.313057Z",
"structure_string": "Er2 Mg1 Al1\n1.0\n-0.000000 3.627213 3.627213\n3.627213 0.000000 3.627213\n3.627213 3.627213 0.000000\nEr Mg Al\n2 1 1\ndirect\n0.500001 0.500001 0.500001 Er\n0.000000 0.000000 0.000000 Er\n0.749998 0.749998 0.749998 Mg\n0.250000 0.250000 0.250000 Al\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"Mg",
"Al"
],
"chemical_system": "Al-Er-Mg",
"density": 6.71223659534054,
"density_atomic": 0.041909339638372914,
"volume": 95.44411900820148,
"volume_molar": 14.369447984539525,
"formula_full": "Er2 Mg1 Al1",
"formula_reduced": "Er2MgAl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8221379625,
"spacegroup": 225
},
{
"id": "jvasp-32143",
"created_at": "2022-09-04T14:37:44.249295Z",
"updated_at": "2022-09-04T14:37:44.249328Z",
"structure_string": "P4 S14\n1.0\n6.056772 0.004695 -0.065431\n0.544201 6.464094 -0.020974\n0.035501 1.386072 10.967730\nP S\n4 14\ndirect\n0.055123 0.172747 0.065473 P\n0.630717 0.798968 0.495050 P\n0.369283 0.201031 0.504951 P\n0.944876 0.827252 0.934528 P\n0.149000 0.769472 0.783905 S\n0.374390 0.990684 0.788761 S\n0.241462 0.253658 0.678602 S\n0.726249 0.563637 0.613729 S\n0.717487 0.099694 0.530679 S\n0.282512 0.900306 0.469321 S\n0.758537 0.746341 0.321398 S\n0.841950 0.153882 0.911202 S\n0.625609 0.009315 0.211240 S\n0.850999 0.230527 0.216095 S\n0.158050 0.846118 0.088799 S\n0.284841 0.364535 0.049412 S\n0.273750 0.436363 0.386271 S\n0.715159 0.635465 0.950589 S\n",
"nsites": 18,
"nelements": 2,
"elements": [
"P",
"S"
],
"chemical_system": "P-S",
"density": 2.214498045551574,
"density_atomic": 0.04190751144671687,
"volume": 429.51727216935853,
"volume_molar": 14.370074843639488,
"formula_full": "P4 S14",
"formula_reduced": "P2S7",
"formula_anonymous": "A2B7",
"energy_above_hull": 2.510553444444444,
"spacegroup": 2
},
{
"id": "jvasp-2550",
"created_at": "2022-09-04T14:36:45.462221Z",
"updated_at": "2022-09-04T14:36:45.462235Z",
"structure_string": "Ba1 Ag2 Ge1 S4\n1.0\n5.768199 -0.017305 -2.590130\n-3.347802 5.240943 -1.142775\n-0.011053 0.017305 6.323035\nBa Ag Ge S\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.250000 0.750001 Ag\n0.500000 0.750000 0.250001 Ag\n0.000000 0.499999 0.500001 Ge\n0.619157 0.152433 0.152433 S\n0.000000 0.847566 0.466725 S\n0.000000 0.466723 0.847568 S\n0.380844 0.533275 0.533277 S\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ba",
"Ag",
"Ge",
"S"
],
"chemical_system": "Ag-Ba-Ge-S",
"density": 4.818688589486687,
"density_atomic": 0.041907203218873985,
"volume": 190.8979694544969,
"volume_molar": 14.37018053566451,
"formula_full": "Ba1 Ag2 Ge1 S4",
"formula_reduced": "BaAg2GeS4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.999330805,
"spacegroup": 121
},
{
"id": "jvasp-115446",
"created_at": "2022-09-04T14:38:47.042968Z",
"updated_at": "2022-09-04T14:38:47.042994Z",
"structure_string": "Ca1 Au1 N1\n1.0\n3.208123 -0.000000 -0.000000\n0.000000 3.208123 0.000000\n0.000000 -0.000000 6.955840\nCa Au N\n1 1 1\ndirect\n0.000000 0.000000 0.396634 Ca\n0.000000 0.000000 -0.020356 Au\n0.000000 0.000000 0.697309 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Au",
"N"
],
"chemical_system": "Au-Ca-N",
"density": 5.823175954025792,
"density_atomic": 0.04190536707963347,
"volume": 71.58987521333603,
"volume_molar": 14.37081018418482,
"formula_full": "Ca1 Au1 N1",
"formula_reduced": "CaAuN",
"formula_anonymous": "ABC",
"energy_above_hull": 1.9248404133333328,
"spacegroup": 99
},
{
"id": "jvasp-107700",
"created_at": "2022-09-04T14:36:55.329944Z",
"updated_at": "2022-09-04T14:36:55.329965Z",
"structure_string": "Tm2 Tl1 Zn1\n1.0\n4.442592 -0.000000 2.564932\n1.480864 4.188516 2.564932\n-0.000000 -0.000000 5.129863\nTm Tl Zn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Tm\n0.749999 0.750001 0.749999 Tm\n0.499999 0.500001 0.500000 Tl\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Tl",
"Zn"
],
"chemical_system": "Tl-Tm-Zn",
"density": 10.570800717638445,
"density_atomic": 0.04190420594540115,
"volume": 95.4558118870401,
"volume_molar": 14.371208388595917,
"formula_full": "Tm2 Tl1 Zn1",
"formula_reduced": "Tm2TlZn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0352453749999999,
"spacegroup": 225
},
{
"id": "jvasp-120193",
"created_at": "2022-09-04T14:38:53.111099Z",
"updated_at": "2022-09-04T14:38:53.111117Z",
"structure_string": "Ca1 Al1 F1\n1.0\n5.764445 3.207549 0.000000\n2.321591 4.933570 0.000000\n0.000000 0.000000 3.410362\nCa Al F\n1 1 1\ndirect\n0.449824 -0.002244 0.000000 Ca\n-0.041220 -0.072243 0.000000 Al\n-0.056816 0.287921 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Al",
"F"
],
"chemical_system": "Al-Ca-F",
"density": 1.9960516203843885,
"density_atomic": 0.041903757776141366,
"volume": 71.59262460485351,
"volume_molar": 14.371362091608908,
"formula_full": "Ca1 Al1 F1",
"formula_reduced": "CaAlF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0614721919999999,
"spacegroup": 25
},
{
"id": "jvasp-98779",
"created_at": "2022-09-04T14:35:45.899290Z",
"updated_at": "2022-09-04T14:35:45.899315Z",
"structure_string": "Bi2 S8 N6 Cl8\n1.0\n7.388614 0.089729 0.455934\n2.073790 8.429700 3.595872\n0.084904 0.063123 9.254735\nBi S N Cl\n2 8 6 8\ndirect\n0.746671 0.038721 0.880703 Bi\n0.253328 0.961279 0.119297 Bi\n0.255591 0.467048 0.085442 S\n0.529348 0.345017 0.350050 S\n0.808302 0.715090 0.456267 S\n0.744408 0.532952 0.914558 S\n-0.006970 0.372305 0.351144 S\n0.191697 0.284909 0.543733 S\n0.006970 0.627695 0.648857 S\n0.470651 0.654982 0.649950 S\n0.082376 0.435456 0.186130 N\n0.449943 0.419992 0.174479 N\n0.610259 0.698274 0.517463 N\n0.917623 0.564544 0.813870 N\n0.550056 0.580008 0.825522 N\n0.389740 0.301725 0.482537 N\n0.655347 0.950692 0.673399 Cl\n0.108965 0.882752 0.873588 Cl\n0.622878 0.781293 0.114783 Cl\n0.344651 0.049307 0.326601 Cl\n0.377121 0.218707 0.885217 Cl\n0.891034 0.117248 0.126412 Cl\n0.198972 0.691359 0.337308 Cl\n0.801027 0.308640 0.662692 Cl\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Bi",
"S",
"N",
"Cl"
],
"chemical_system": "Bi-Cl-N-S",
"density": 3.02126049847103,
"density_atomic": 0.04190078578479868,
"volume": 572.7816209286232,
"volume_molar": 14.372381441554712,
"formula_full": "Bi2 S8 N6 Cl8",
"formula_reduced": "BiS4N3Cl4",
"formula_anonymous": "AB3C4D4",
"energy_above_hull": 2.46145086,
"spacegroup": 2
}
]
}