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=3880",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=3878",
"results": [
{
"id": "jvasp-12390",
"created_at": "2022-09-04T14:38:14.000470Z",
"updated_at": "2022-09-04T14:38:14.000496Z",
"structure_string": "K4 Na2 In2 P4\n1.0\n6.155904 0.000000 -2.500948\n-1.013282 6.031330 -2.494120\n0.002846 0.036954 8.833635\nK Na In P\n4 2 2 4\ndirect\n0.823211 0.060988 0.646422 K\n0.176790 0.939011 0.353578 K\n0.676789 0.414567 0.353578 K\n0.323211 0.585433 0.646422 K\n0.750000 0.000000 -0.000000 Na\n0.250000 0.000000 -0.000000 Na\n0.250000 0.500000 -0.000000 In\n0.750000 0.500000 -0.000000 In\n0.601144 0.819750 0.202289 P\n0.398856 0.180250 0.797712 P\n0.898856 0.617461 0.797711 P\n0.101145 0.382538 0.202289 P\n",
"nsites": 12,
"nelements": 4,
"elements": [
"K",
"Na",
"In",
"P"
],
"chemical_system": "In-K-Na-P",
"density": 2.808492083511874,
"density_atomic": 0.03650948613412301,
"volume": 328.6817008575859,
"volume_molar": 16.494728898338288,
"formula_full": "K4 Na2 In2 P4",
"formula_reduced": "K2NaInP2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 0.4501859949999999,
"spacegroup": 72
},
{
"id": "jvasp-35895",
"created_at": "2022-09-04T14:37:31.740146Z",
"updated_at": "2022-09-04T14:37:31.740174Z",
"structure_string": "Hg3 Se3\n1.0\n2.189933 -3.793076 -0.000000\n2.189933 3.793076 0.000000\n0.000000 0.000000 9.892747\nHg Se\n3 3\ndirect\n0.299125 -0.000000 0.166667 Hg\n-0.000000 0.299125 0.833333 Hg\n0.700873 0.700873 0.500000 Hg\n0.487403 -0.000001 0.666667 Se\n-0.000001 0.487403 0.333333 Se\n0.512597 0.512597 0.000000 Se\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Hg",
"Se"
],
"chemical_system": "Hg-Se",
"density": 8.473455990043202,
"density_atomic": 0.03650749040482177,
"volume": 164.34983433447792,
"volume_molar": 16.495630604081786,
"formula_full": "Hg3 Se3",
"formula_reduced": "HgSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 154
},
{
"id": "jvasp-28646",
"created_at": "2022-09-04T14:36:51.314249Z",
"updated_at": "2022-09-04T14:36:51.314272Z",
"structure_string": "Mo2 W2 Se6 S2\n1.0\n3.292791 0.000000 0.000000\n-1.646395 2.851642 -0.000003\n0.000000 -0.000622 35.007578\nMo W Se S\n2 2 6 2\ndirect\n0.333300 0.666603 0.096729 Mo\n0.333330 0.666662 0.468725 Mo\n0.666654 0.333310 0.279312 W\n0.666711 0.333423 0.658149 W\n0.333322 0.666647 0.327743 Se\n0.333387 0.666778 0.706523 Se\n0.666663 0.333327 0.420578 Se\n0.666665 0.333331 0.516873 Se\n0.333316 0.666635 0.230892 Se\n0.333369 0.666742 0.609711 Se\n0.666633 0.333267 0.052914 S\n0.666638 0.333276 0.140598 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.54386449543307,
"density_atomic": 0.036505643836969484,
"volume": 328.71629531013855,
"volume_molar": 16.496465003861516,
"formula_full": "Mo2 W2 Se6 S2",
"formula_reduced": "MoWSe3S",
"formula_anonymous": "ABCD3",
"energy_above_hull": 3.5943443333333325,
"spacegroup": 156
},
{
"id": "jvasp-37113",
"created_at": "2022-09-04T14:38:00.460976Z",
"updated_at": "2022-09-04T14:38:00.460990Z",
"structure_string": "Rb1 Sn1 S2\n1.0\n-2.030878 -3.517586 0.000000\n-4.061757 -0.000000 0.000000\n-2.030878 -1.172529 -7.669651\nRb Sn S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500001 0.500000 0.500000 Sn\n0.768060 0.768060 0.695823 S\n0.231941 0.231941 0.304177 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Sn",
"S"
],
"chemical_system": "Rb-S-Sn",
"density": 4.065819849311111,
"density_atomic": 0.03650276204540453,
"volume": 109.5807488492114,
"volume_molar": 16.497767353903978,
"formula_full": "Rb1 Sn1 S2",
"formula_reduced": "RbSnS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6135279249999999,
"spacegroup": 166
},
{
"id": "jvasp-94772",
"created_at": "2022-09-04T14:36:01.772100Z",
"updated_at": "2022-09-04T14:36:01.772109Z",
"structure_string": "Rb1 Mg6 Al1\n1.0\n6.752651 0.739351 0.000000\n-2.736029 6.217642 0.000000\n0.000000 0.000000 4.980182\nRb Mg Al\n1 6 1\ndirect\n0.382842 0.117158 0.750000 Rb\n0.098937 0.784510 0.250000 Mg\n0.715489 0.401063 0.250000 Mg\n0.637949 0.862050 0.250000 Mg\n0.298734 0.594629 0.750000 Mg\n0.905371 0.201266 0.750000 Mg\n0.808928 0.691072 0.750000 Mg\n0.151748 0.348251 0.250000 Al\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"Al"
],
"chemical_system": "Al-Mg-Rb",
"density": 1.9568496271494948,
"density_atomic": 0.03650132904566829,
"volume": 219.17010172399137,
"volume_molar": 16.498415037067435,
"formula_full": "Rb1 Mg6 Al1",
"formula_reduced": "RbMg6Al",
"formula_anonymous": "ABC6",
"energy_above_hull": 1.2499999999998623e-05,
"spacegroup": 38
},
{
"id": "jvasp-77045",
"created_at": "2022-09-04T14:37:11.248497Z",
"updated_at": "2022-09-04T14:37:11.248524Z",
"structure_string": "Ca2 In1 Hg1\n1.0\n-11.828503 5.386874 1.967538\n-8.163215 2.027444 3.979689\n-6.609588 6.421764 1.288728\nCa In Hg\n2 1 1\ndirect\n0.749636 0.000193 0.000192 Ca\n0.250364 -0.000192 -0.000192 Ca\n0.000000 0.000000 0.000000 In\n0.500000 0.000000 -0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"In",
"Hg"
],
"chemical_system": "Ca-Hg-In",
"density": 5.993803877443115,
"density_atomic": 0.03650031919008816,
"volume": 109.58808275534807,
"volume_molar": 16.498871499280867,
"formula_full": "Ca2 In1 Hg1",
"formula_reduced": "Ca2InHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0036025,
"spacegroup": 225
},
{
"id": "jvasp-2523",
"created_at": "2022-09-04T14:36:37.069537Z",
"updated_at": "2022-09-04T14:36:37.069563Z",
"structure_string": "K2 Au2 S2\n1.0\n4.996287 0.003770 0.000000\n-1.074910 4.879290 0.000000\n0.000000 0.000000 6.741963\nK Au S\n2 2 2\ndirect\n0.625609 0.374390 0.250000 K\n0.374391 0.625609 0.750000 K\n0.000000 0.000000 0.000000 Au\n0.000000 0.000000 0.500000 Au\n0.207462 0.792538 0.250000 S\n0.792539 0.207462 0.750000 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Au",
"S"
],
"chemical_system": "Au-K-S",
"density": 5.417036090077577,
"density_atomic": 0.036499649184239966,
"volume": 164.3851416136546,
"volume_molar": 16.499174360832697,
"formula_full": "K2 Au2 S2",
"formula_reduced": "KAuS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.13466519,
"spacegroup": 63
},
{
"id": "jvasp-117633",
"created_at": "2022-09-04T14:38:51.930029Z",
"updated_at": "2022-09-04T14:38:51.930049Z",
"structure_string": "Be1 Tl1 Br1\n1.0\n5.408343 -0.000000 -0.000000\n-2.704171 4.683762 -0.000000\n0.000000 0.000000 3.244695\nBe Tl Br\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.666666 0.333333 0.000000 Tl\n0.333333 0.666666 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Tl",
"Br"
],
"chemical_system": "Be-Br-Tl",
"density": 5.92553364124572,
"density_atomic": 0.03649961885513542,
"volume": 82.19263910417263,
"volume_molar": 16.499188070706932,
"formula_full": "Be1 Tl1 Br1",
"formula_reduced": "BeTlBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4966909349999998,
"spacegroup": 187
},
{
"id": "jvasp-62082",
"created_at": "2022-09-04T14:36:08.014093Z",
"updated_at": "2022-09-04T14:36:08.014105Z",
"structure_string": "Ca10 Au6\n1.0\n-3.908568 3.908568 7.174129\n3.908568 -3.908568 7.174129\n3.908568 3.908568 -7.174129\nCa Au\n10 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 Ca\n0.023440 0.523440 0.836013 Ca\n0.687427 0.187426 0.163988 Ca\n0.187426 0.023440 0.500000 Ca\n0.523440 0.687427 0.500000 Ca\n0.476561 0.312574 0.500000 Ca\n0.812574 0.976561 0.500000 Ca\n0.312574 0.812574 0.836013 Ca\n0.976561 0.476560 0.163988 Ca\n0.750000 0.750000 0.000000 Au\n0.250000 0.250000 0.000000 Au\n0.368009 0.868010 0.236020 Au\n0.631991 0.131991 0.763981 Au\n0.131991 0.368010 0.500000 Au\n0.868010 0.631991 0.500000 Au\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ca",
"Au"
],
"chemical_system": "Au-Ca",
"density": 5.994460359126338,
"density_atomic": 0.036496856972637624,
"volume": 438.39391463203253,
"volume_molar": 16.50043663900952,
"formula_full": "Ca10 Au6",
"formula_reduced": "Ca5Au3",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.1814512499999999,
"spacegroup": 140
},
{
"id": "jvasp-17708",
"created_at": "2022-09-04T14:38:29.808300Z",
"updated_at": "2022-09-04T14:38:29.808323Z",
"structure_string": "Pu1 Te1\n1.0\n3.798328 -0.000000 0.000000\n0.000000 3.798328 0.000000\n-0.000000 -0.000000 3.798328\nPu Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pu",
"Te"
],
"chemical_system": "Pu-Te",
"density": 11.260233794754965,
"density_atomic": 0.03649661621418583,
"volume": 54.799600824983386,
"volume_molar": 16.500545487993104,
"formula_full": "Pu1 Te1",
"formula_reduced": "PuTe",
"formula_anonymous": "AB",
"energy_above_hull": 2.454363883333333,
"spacegroup": 221
},
{
"id": "jvasp-28644",
"created_at": "2022-09-04T14:36:44.577549Z",
"updated_at": "2022-09-04T14:36:44.577581Z",
"structure_string": "Mo2 W2 Se6 S2\n1.0\n3.292711 0.000001 0.000000\n-1.646354 2.851540 0.000000\n-0.000001 0.000140 35.021028\nMo W Se S\n2 2 6 2\ndirect\n0.333369 0.666735 0.096673 Mo\n0.666648 0.333297 0.658253 Mo\n0.333330 0.666658 0.468862 W\n0.666653 0.333307 0.279126 W\n0.333321 0.666640 0.327536 Se\n0.333313 0.666624 0.706332 Se\n0.666669 0.333337 0.420452 Se\n0.666656 0.333311 0.517274 Se\n0.333329 0.666656 0.230724 Se\n0.333321 0.666641 0.610115 Se\n0.666699 0.333398 0.052875 S\n0.666698 0.333394 0.140525 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.54206725081851,
"density_atomic": 0.0364938092093661,
"volume": 328.8228951698528,
"volume_molar": 16.50181466519648,
"formula_full": "Mo2 W2 Se6 S2",
"formula_reduced": "MoWSe3S",
"formula_anonymous": "ABCD3",
"energy_above_hull": 3.5943543333333325,
"spacegroup": 156
},
{
"id": "jvasp-335",
"created_at": "2022-09-04T14:36:09.034401Z",
"updated_at": "2022-09-04T14:36:09.034420Z",
"structure_string": "Ti1 Te2\n1.0\n1.897210 -3.286064 0.000000\n1.897210 3.286064 0.000000\n0.000000 0.000000 6.593399\nTi Te\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.666667 0.333333 0.740646 Te\n0.333333 0.666667 0.259354 Te\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"Te"
],
"chemical_system": "Te-Ti",
"density": 6.121487559264632,
"density_atomic": 0.036491396049606224,
"volume": 82.21116002034603,
"volume_molar": 16.50290592284694,
"formula_full": "Ti1 Te2",
"formula_reduced": "TiTe2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4323179555555556,
"spacegroup": 164
}
]
}