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&page=1147",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1145",
"results": [
{
"id": "jvasp-91954",
"created_at": "2022-09-04T14:35:56.305731Z",
"updated_at": "2022-09-04T14:35:56.305761Z",
"structure_string": "Rb1 Mg6 Fe1\n1.0\n8.333731 0.337389 0.000000\n-3.874654 6.710679 0.000000\n0.000000 0.000000 4.008049\nRb Mg Fe\n1 6 1\ndirect\n0.073404 0.786688 0.250000 Rb\n0.628431 0.261965 0.250000 Mg\n0.628422 0.866474 0.250000 Mg\n0.316520 0.218881 0.750000 Mg\n0.316518 0.597630 0.750000 Mg\n0.918100 0.209047 0.750000 Mg\n0.672143 0.586082 0.750000 Mg\n0.446460 0.473231 0.250000 Fe\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"Fe"
],
"chemical_system": "Fe-Mg-Rb",
"density": 2.0786104965120438,
"density_atomic": 0.03487514922758951,
"volume": 229.38969946173737,
"volume_molar": 17.267713238158482,
"formula_full": "Rb1 Mg6 Fe1",
"formula_reduced": "RbMg6Fe",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-87331",
"created_at": "2022-09-04T14:35:54.864760Z",
"updated_at": "2022-09-04T14:35:54.864790Z",
"structure_string": "Sb4 Ir4 S4\n1.0\n6.126271 0.000000 0.000000\n0.000000 6.109322 0.000000\n0.000000 0.000000 6.128390\nSb Ir S\n4 4 4\ndirect\n0.379572 0.634027 0.382003 Sb\n0.620427 0.365972 0.882003 Sb\n0.120428 0.634027 0.882003 Sb\n0.879572 0.365972 0.382003 Sb\n0.510151 0.766095 0.999456 Ir\n0.489849 0.233905 0.499456 Ir\n0.989849 0.766095 0.499456 Ir\n0.010151 0.233905 0.999456 Ir\n0.118351 0.126283 0.620742 S\n0.881649 0.873717 0.120742 S\n0.381649 0.126283 0.120742 S\n0.618351 0.873717 0.620742 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sb",
"Ir",
"S"
],
"chemical_system": "Ir-S-Sb",
"density": 10.020797521436938,
"density_atomic": 0.05231733710567521,
"volume": 229.3694722222068,
"volume_molar": 11.510793731408663,
"formula_full": "Sb4 Ir4 S4",
"formula_reduced": "SbIrS",
"formula_anonymous": "ABC",
"energy_above_hull": 2.2374524,
"spacegroup": 29
},
{
"id": "jvasp-24643",
"created_at": "2022-09-04T14:37:14.967719Z",
"updated_at": "2022-09-04T14:37:14.967739Z",
"structure_string": "Ac2 Cl6\n1.0\n3.810395 -6.599798 0.000000\n3.810395 6.599798 0.000000\n-0.000000 0.000000 4.560338\nAc Cl\n2 6\ndirect\n0.333332 0.666666 0.750000 Ac\n0.666666 0.333332 0.250000 Ac\n0.913416 0.615083 0.750000 Cl\n0.298331 0.913417 0.250000 Cl\n0.086582 0.384915 0.250000 Cl\n0.701668 0.086582 0.750000 Cl\n0.384915 0.298332 0.750000 Cl\n0.615084 0.701667 0.250000 Cl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ac",
"Cl"
],
"chemical_system": "Ac-Cl",
"density": 4.8268478304703875,
"density_atomic": 0.03487886281424957,
"volume": 229.36527611593013,
"volume_molar": 17.265874727829967,
"formula_full": "Ac2 Cl6",
"formula_reduced": "AcCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 176
},
{
"id": "jvasp-58187",
"created_at": "2022-09-04T14:37:28.301076Z",
"updated_at": "2022-09-04T14:37:28.301097Z",
"structure_string": "Ba1 Sn4 O8\n1.0\n3.017672 -5.226762 0.000000\n3.017672 5.226762 -0.000000\n-0.000000 -0.000000 7.269597\nBa Sn O\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.274342 Sn\n0.666667 0.333333 0.274342 Sn\n0.333333 0.666667 0.725659 Sn\n0.666667 0.333333 0.725659 Sn\n0.670515 0.670515 0.298746 O\n-0.000000 0.329484 0.298746 O\n0.329484 -0.000000 0.298746 O\n0.329484 0.329484 0.701254 O\n0.670515 -0.000000 0.701254 O\n-0.000000 0.670515 0.701254 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ba",
"Sn",
"O"
],
"chemical_system": "Ba-O-Sn",
"density": 5.359581874644837,
"density_atomic": 0.0566889303689283,
"volume": 229.32166677686007,
"volume_molar": 10.623133512677438,
"formula_full": "Ba1 Sn4 O8",
"formula_reduced": "Ba(SnO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 1.83601929,
"spacegroup": 162
},
{
"id": "jvasp-43957",
"created_at": "2022-09-04T14:37:31.960287Z",
"updated_at": "2022-09-04T14:37:31.960313Z",
"structure_string": "Li4 Mn2 F12\n1.0\n6.158337 -0.000000 0.000000\n-0.000000 6.158337 0.000000\n0.000000 0.000000 6.046564\nLi Mn F\n4 2 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.749987 Mn\n0.500000 0.000000 0.250012 Mn\n0.500000 0.000000 0.544691 F\n0.500000 0.000000 0.955341 F\n0.500447 0.699779 0.250009 F\n0.699779 0.500447 0.749990 F\n0.300222 0.499553 0.749990 F\n0.000000 0.500000 0.455309 F\n0.000000 0.500000 0.044659 F\n0.800222 0.000447 0.250009 F\n0.000447 0.800222 0.749990 F\n0.199779 0.999553 0.250009 F\n0.499553 0.300222 0.250009 F\n0.999553 0.199779 0.749990 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 2.647552548221384,
"density_atomic": 0.07849408824134571,
"volume": 229.31663266990776,
"volume_molar": 7.672094669707773,
"formula_full": "Li4 Mn2 F12",
"formula_reduced": "Li2MnF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.3193532151532566,
"spacegroup": 139
},
{
"id": "jvasp-64051",
"created_at": "2022-09-04T14:37:40.932809Z",
"updated_at": "2022-09-04T14:37:40.932833Z",
"structure_string": "Ba4 Ta1 Ti1\n1.0\n-0.000000 4.857996 4.857996\n4.857996 -0.000000 4.857996\n4.857996 4.857996 0.000000\nBa Ta Ti\n4 1 1\ndirect\n0.125787 0.624738 0.624738 Ba\n0.624738 0.624738 0.624738 Ba\n0.624738 0.125787 0.624738 Ba\n0.624738 0.624738 0.125787 Ba\n0.250000 0.250000 0.250000 Ta\n0.000000 0.000000 0.000000 Ti\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"Ti"
],
"chemical_system": "Ba-Ta-Ti",
"density": 5.635024760700439,
"density_atomic": 0.026166750660320294,
"volume": 229.29862702053038,
"volume_molar": 23.014476799872888,
"formula_full": "Ba4 Ta1 Ti1",
"formula_reduced": "Ba4TaTi",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.0118102355555547,
"spacegroup": 216
},
{
"id": "jvasp-10820",
"created_at": "2022-09-04T14:37:13.658489Z",
"updated_at": "2022-09-04T14:37:13.658505Z",
"structure_string": "V4 Zn1 S8\n1.0\n6.844421 0.029673 0.020981\n3.447908 5.971950 0.000000\n3.447908 1.990650 5.630410\nV Zn S\n4 1 8\ndirect\n0.000000 0.500000 0.500000 V\n0.500000 0.500000 -0.000000 V\n0.500000 0.500000 0.500000 V\n0.500000 -0.000000 0.500000 V\n0.500000 -0.000000 -0.000000 Zn\n0.250804 0.253153 0.253153 S\n0.250804 0.253153 0.742888 S\n0.250804 0.742888 0.253153 S\n0.742550 0.252483 0.252483 S\n0.257450 0.747517 0.747517 S\n0.749196 0.746846 0.257111 S\n0.749196 0.257111 0.746846 S\n0.749197 0.746846 0.746846 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"V",
"Zn",
"S"
],
"chemical_system": "S-V-Zn",
"density": 3.8073575145542007,
"density_atomic": 0.056700131729380245,
"volume": 229.2763632727824,
"volume_molar": 10.62103486591992,
"formula_full": "V4 Zn1 S8",
"formula_reduced": "V4ZnS8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.865330553846154,
"spacegroup": 166
},
{
"id": "jvasp-86814",
"created_at": "2022-09-04T14:36:03.356033Z",
"updated_at": "2022-09-04T14:36:03.356053Z",
"structure_string": "Ba1 Ag2 Sn1 Se4\n1.0\n6.255230 -0.008008 -2.423577\n-3.626766 5.462317 -1.418134\n0.007264 0.008008 6.708322\nBa Ag Sn Se\n1 2 1 4\ndirect\n-0.000000 -0.000000 -0.000000 Ba\n0.500000 0.821330 0.321330 Ag\n0.500000 0.178670 0.678670 Ag\n0.000001 0.500000 0.500001 Sn\n0.010357 0.531290 0.127656 Se\n0.403631 0.882701 0.872343 Se\n0.989641 0.117299 0.520931 Se\n0.596367 0.468711 0.479068 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ba",
"Ag",
"Sn",
"Se"
],
"chemical_system": "Ag-Ba-Se-Sn",
"density": 5.704885678885048,
"density_atomic": 0.03489592695078726,
"volume": 229.2531163101692,
"volume_molar": 17.257431701106135,
"formula_full": "Ba1 Ag2 Sn1 Se4",
"formula_reduced": "BaAg2SnSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.6628232070833333,
"spacegroup": 23
},
{
"id": "jvasp-86212",
"created_at": "2022-09-04T14:36:02.890510Z",
"updated_at": "2022-09-04T14:36:02.890536Z",
"structure_string": "Ba1 Ag2 Sn1 Se4\n1.0\n6.255259 -0.007954 -2.423447\n-3.626809 5.462200 -1.418245\n0.007396 0.007954 6.708303\nBa Ag Sn Se\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.821338 0.321337 Ag\n0.500001 0.178662 0.678662 Ag\n0.000003 0.500000 0.500003 Sn\n0.010369 0.531278 0.127661 Se\n0.403612 0.882703 0.872333 Se\n0.989631 0.117297 0.520909 Se\n0.596385 0.468722 0.479090 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ba",
"Ag",
"Sn",
"Se"
],
"chemical_system": "Ag-Ba-Se-Sn",
"density": 5.704945247479834,
"density_atomic": 0.034896291322914816,
"volume": 229.25072254732015,
"volume_molar": 17.257251506395846,
"formula_full": "Ba1 Ag2 Sn1 Se4",
"formula_reduced": "BaAg2SnSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.6628282070833333,
"spacegroup": 23
},
{
"id": "jvasp-9787",
"created_at": "2022-09-04T14:37:17.234323Z",
"updated_at": "2022-09-04T14:37:17.234340Z",
"structure_string": "Ca4 Sm1 B3 O10\n1.0\n3.562970 -0.004888 0.315843\n1.266981 7.141531 3.664223\n-0.007481 0.002837 9.007595\nCa Sm B O\n4 1 3 10\ndirect\n0.669627 0.528705 0.225815 Ca\n0.340502 0.083530 0.365157 Ca\n0.340502 0.448688 0.634843 Ca\n0.669627 0.754521 0.774185 Ca\n0.000292 0.000078 -0.000000 Sm\n0.914329 0.757916 0.388890 B\n0.296686 0.376923 -0.000000 B\n0.914329 0.146807 0.611110 B\n0.916738 0.947678 0.286988 O\n0.916739 0.234666 0.713012 O\n0.246772 0.537533 0.850386 O\n0.718379 0.700711 0.537798 O\n0.112413 0.966989 0.657449 O\n0.112413 0.624438 0.342551 O\n0.246772 0.387918 0.149614 O\n0.397031 0.203170 -0.000000 O\n0.580395 0.823316 -0.000000 O\n0.718379 0.238511 0.462201 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ca",
"Sm",
"B",
"O"
],
"chemical_system": "B-Ca-O-Sm",
"density": 3.6443519842703513,
"density_atomic": 0.07852180414694179,
"volume": 229.23569059003913,
"volume_molar": 7.669386644161239,
"formula_full": "Ca4 Sm1 B3 O10",
"formula_reduced": "Ca4SmB3O10",
"formula_anonymous": "AB3C4D10",
"energy_above_hull": 2.427649628055556,
"spacegroup": 8
},
{
"id": "jvasp-117298",
"created_at": "2022-09-04T14:38:26.288360Z",
"updated_at": "2022-09-04T14:38:26.288379Z",
"structure_string": "Mn8 O13 F3\n1.0\n4.350009 0.002833 0.111421\n0.149179 7.237353 0.790662\n-0.046168 0.026119 7.282996\nMn O F\n8 13 3\ndirect\n0.501560 0.698428 0.949784 Mn\n0.520334 0.292406 0.063940 Mn\n0.483664 0.185078 0.445167 Mn\n0.499307 0.801154 0.554985 Mn\n0.018385 0.950336 0.208211 Mn\n0.010171 0.562003 0.292867 Mn\n0.991035 0.454085 0.694441 Mn\n0.013678 0.062293 0.793516 Mn\n0.766957 0.770192 0.347680 O\n0.761227 0.268955 0.846118 O\n0.728991 0.017030 0.599593 O\n0.737234 0.517699 0.098531 O\n0.724436 0.649071 0.731555 O\n0.743334 0.148831 0.239672 O\n0.229376 0.599816 0.514097 O\n0.265352 0.979871 0.403966 O\n0.263554 0.346510 0.268395 O\n0.227224 0.234271 0.642855 O\n0.233770 0.733199 0.150756 O\n0.242826 0.097591 0.020451 O\n0.262073 0.850593 0.770228 O\n0.744701 0.400620 0.469147 F\n0.257142 0.466200 0.908827 F\n0.773669 0.913762 0.985224 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 5.103285812226183,
"density_atomic": 0.10469745198973318,
"volume": 229.2319396880211,
"volume_molar": 5.751945864537889,
"formula_full": "Mn8 O13 F3",
"formula_reduced": "Mn8O13F3",
"formula_anonymous": "A3B8C13",
"energy_above_hull": 3.363109344938937,
"spacegroup": 1
},
{
"id": "jvasp-101039",
"created_at": "2022-09-04T14:36:48.716115Z",
"updated_at": "2022-09-04T14:36:48.716140Z",
"structure_string": "Tl2 In6\n1.0\n6.908914 0.000000 0.000000\n-3.454457 5.983295 0.000000\n0.000000 0.000000 5.545232\nTl In\n2 6\ndirect\n0.333333 0.666666 0.750000 Tl\n0.666666 0.333333 0.250000 Tl\n0.163989 0.327978 0.250000 In\n0.672020 0.836010 0.250000 In\n0.163989 0.836010 0.250000 In\n0.836010 0.672021 0.750000 In\n0.327978 0.163989 0.750000 In\n0.836010 0.163989 0.750000 In\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tl",
"In"
],
"chemical_system": "In-Tl",
"density": 7.9515682138955786,
"density_atomic": 0.034899569007696196,
"volume": 229.22919186296562,
"volume_molar": 17.25563074624782,
"formula_full": "Tl2 In6",
"formula_reduced": "TlIn3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
}
]
}