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=-nelements&page=536",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=534",
"results": [
{
"id": "jvasp-28817",
"created_at": "2022-09-04T14:38:00.694341Z",
"updated_at": "2022-09-04T14:38:00.694373Z",
"structure_string": "Te4 W4 Se2 S2\n1.0\n3.404611 -0.000002 0.000009\n-1.702307 2.948651 -0.000047\n0.000099 -0.000519 35.358378\nTe W Se S\n4 4 2 2\ndirect\n0.333278 0.666582 0.336192 Te\n0.333438 0.666865 0.714144 Te\n0.333349 0.666673 0.229572 Te\n0.333252 0.666512 0.607579 Te\n0.333319 0.666643 0.087151 W\n0.333360 0.666728 0.471982 W\n0.666687 0.333372 0.282861 W\n0.666723 0.333451 0.660921 W\n0.666587 0.333146 0.040415 Se\n0.666680 0.333380 0.133972 Se\n0.666678 0.333374 0.429371 S\n0.666645 0.333274 0.514590 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"W",
"Se",
"S"
],
"chemical_system": "S-Se-Te-W",
"density": 6.866507232636057,
"density_atomic": 0.03380634259102945,
"volume": 354.96297677537626,
"volume_molar": 17.813641756082724,
"formula_full": "Te4 W4 Se2 S2",
"formula_reduced": "Te2W2SeS",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.842844816666666,
"spacegroup": 156
},
{
"id": "jvasp-108845",
"created_at": "2022-09-04T14:37:59.334478Z",
"updated_at": "2022-09-04T14:37:59.334502Z",
"structure_string": "K2 Na1 Ce1 I6\n1.0\n7.516473 -0.000000 4.339638\n2.505491 7.086598 4.339638\n-0.000000 -0.000000 8.679275\nK Na Ce I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Ce\n0.747936 0.252064 0.252064 I\n0.252063 0.252064 0.747937 I\n0.252063 0.747937 0.747937 I\n0.252063 0.747937 0.252064 I\n0.747936 0.252064 0.747937 I\n0.747936 0.747937 0.252064 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Na",
"Ce",
"I"
],
"chemical_system": "Ce-I-K-Na",
"density": 3.6016159973481057,
"density_atomic": 0.021630405037443234,
"volume": 462.3121935391194,
"volume_molar": 27.841091045569392,
"formula_full": "K2 Na1 Ce1 I6",
"formula_reduced": "K2NaCeI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-28798",
"created_at": "2022-09-04T14:38:00.365039Z",
"updated_at": "2022-09-04T14:38:00.365050Z",
"structure_string": "Mo3 W1 Se6 S2\n1.0\n3.290604 0.000000 0.000000\n-1.645302 2.849751 -0.000023\n-0.000002 -0.000300 34.977378\nMo W Se S\n3 1 6 2\ndirect\n0.333292 0.666586 0.093418 Mo\n0.333352 0.666702 0.471851 Mo\n0.666660 0.333321 0.282651 Mo\n0.666694 0.333389 0.654993 W\n0.333332 0.666665 0.330866 Se\n0.666623 0.333246 0.045257 Se\n0.666681 0.333363 0.423639 Se\n0.666628 0.333256 0.141641 Se\n0.666683 0.333367 0.520052 Se\n0.333324 0.666650 0.234438 Se\n0.333371 0.666743 0.699068 S\n0.333356 0.666713 0.610876 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.111014865817496,
"density_atomic": 0.036585707642861225,
"volume": 327.9969357744949,
"volume_molar": 16.460364300689065,
"formula_full": "Mo3 W1 Se6 S2",
"formula_reduced": "Mo3W(Se3S)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 3.808356491666667,
"spacegroup": 156
},
{
"id": "jvasp-43665",
"created_at": "2022-09-04T14:37:51.344548Z",
"updated_at": "2022-09-04T14:37:51.344564Z",
"structure_string": "Li3 V6 O3 F15\n1.0\n2.537648 -4.395337 -0.000000\n2.537649 4.395336 0.000000\n0.000000 -0.000000 13.805085\nLi V O F\n3 6 3 15\ndirect\n0.670429 0.662783 0.129596 Li\n0.337218 0.007646 0.796263 Li\n0.992354 0.329572 0.462929 Li\n0.306750 0.970445 0.492335 V\n0.967733 0.307778 0.669765 V\n0.029555 0.336306 0.159002 V\n0.340047 0.032268 0.003099 V\n0.663695 0.693250 0.825669 V\n0.692223 0.659954 0.336432 V\n0.717406 0.001198 0.747589 O\n-0.001198 0.716208 0.414255 O\n0.283792 0.282595 0.080922 O\n0.019117 0.973224 0.907404 F\n0.022878 0.664524 0.078096 F\n0.981365 0.648406 0.747596 F\n0.667041 0.018636 0.080928 F\n0.718235 0.381938 0.238854 F\n0.663703 0.281765 0.572188 F\n0.362698 0.630214 0.243431 F\n0.618063 0.336298 0.905521 F\n0.351595 0.332959 0.414262 F\n0.335476 0.358353 0.744762 F\n0.641647 0.977123 0.411429 F\n0.267515 0.637303 0.576766 F\n0.369787 0.732485 0.910099 F\n0.954107 0.980883 0.240737 F\n0.026776 0.045894 0.574070 F\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.5557876959362686,
"density_atomic": 0.08767405386391959,
"volume": 307.95884084369095,
"volume_molar": 6.8687832883227555,
"formula_full": "Li3 V6 O3 F15",
"formula_reduced": "LiV2OF5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.1323437013888888,
"spacegroup": 145
},
{
"id": "jvasp-30762",
"created_at": "2022-09-04T14:37:57.996450Z",
"updated_at": "2022-09-04T14:37:57.996484Z",
"structure_string": "Zn2 Ge4 W2 O12\n1.0\n4.887977 -0.438758 0.616691\n0.445564 7.627465 1.603978\n-0.918950 0.980887 7.690441\nZn Ge W O\n2 4 2 12\ndirect\n0.750000 0.365962 0.634038 Zn\n0.250000 0.634038 0.365962 Zn\n0.709091 0.419975 0.197204 Ge\n0.790909 0.802795 0.580025 Ge\n0.290909 0.580025 0.802796 Ge\n0.209091 0.197204 0.419975 Ge\n0.750000 0.893678 0.106322 W\n0.250000 0.106322 0.893678 W\n0.535810 0.965828 0.857201 O\n0.964190 0.142799 0.034172 O\n0.562499 0.671957 0.176962 O\n0.937501 0.823038 0.328043 O\n0.437501 0.328043 0.823038 O\n0.962164 0.563493 0.675713 O\n0.037836 0.436507 0.324287 O\n0.462164 0.675713 0.563493 O\n0.035810 0.857200 0.965829 O\n0.537836 0.324286 0.436507 O\n0.062499 0.176962 0.671957 O\n0.464189 0.034172 0.142799 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Zn",
"Ge",
"W",
"O"
],
"chemical_system": "Ge-O-W-Zn",
"density": 5.700572466643576,
"density_atomic": 0.06998546827253312,
"volume": 285.7736112033605,
"volume_molar": 8.604844560800748,
"formula_full": "Zn2 Ge4 W2 O12",
"formula_reduced": "ZnGe2WO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.51145033,
"spacegroup": 15
},
{
"id": "jvasp-25631",
"created_at": "2022-09-04T14:37:39.890888Z",
"updated_at": "2022-09-04T14:37:39.890907Z",
"structure_string": "Na4 Nb8 P4 S40\n1.0\n7.454335 -0.000000 -2.360225\n-0.078552 13.033175 -0.248090\n0.017852 -0.065578 13.008063\nNa Nb P S\n4 8 4 40\ndirect\n0.937790 0.886294 0.884681 Na\n0.053110 0.613705 0.115319 Na\n0.946889 0.386294 0.884681 Na\n0.062209 0.113705 0.115319 Na\n0.418709 0.488042 0.716600 Nb\n0.297892 0.988042 0.716600 Nb\n0.572916 0.221259 0.282263 Nb\n0.427084 0.778740 0.717736 Nb\n0.290652 0.278740 0.717736 Nb\n0.702108 0.011957 0.283399 Nb\n0.709347 0.721259 0.282263 Nb\n0.581290 0.511957 0.283399 Nb\n0.205344 0.369290 0.207424 P\n0.002080 0.869290 0.207424 P\n-0.002080 0.130709 0.792576 P\n0.794655 0.630709 0.792575 P\n0.419136 0.904109 0.573536 S\n0.494337 0.134673 0.683955 S\n0.154400 0.404110 0.573537 S\n0.310297 0.423259 0.864926 S\n0.662149 0.369983 0.423610 S\n0.048865 0.738711 0.297919 S\n0.583029 0.636030 0.860162 S\n0.401525 0.356269 0.572015 S\n0.319453 0.853169 0.866243 S\n0.546789 0.353169 0.866242 S\n0.144242 0.872086 0.102099 S\n0.680546 0.146830 0.133757 S\n0.189618 0.634673 0.683955 S\n0.845599 0.595890 0.426463 S\n0.810382 0.365326 0.316044 S\n0.277133 0.136031 0.860162 S\n0.042143 0.627913 0.897901 S\n0.855757 0.127913 0.897900 S\n0.951134 0.261289 0.702081 S\n0.689702 0.576741 0.135073 S\n0.829510 0.143730 0.427984 S\n0.260091 0.501267 0.302357 S\n0.238539 0.130017 0.576389 S\n0.722867 0.863969 0.139837 S\n0.337851 0.630017 0.576389 S\n0.170489 0.856269 0.572016 S\n0.739908 0.498732 0.697642 S\n0.957734 0.998732 0.697642 S\n0.416971 0.363969 0.139838 S\n0.580863 0.095890 0.426463 S\n0.453210 0.646830 0.133757 S\n0.761461 0.869982 0.423610 S\n0.042266 0.001268 0.302357 S\n0.554628 0.923259 0.864926 S\n0.957857 0.372086 0.102099 S\n0.249053 0.238711 0.297918 S\n0.598474 0.643730 0.427984 S\n0.505663 0.865326 0.316045 S\n0.750946 0.761288 0.702081 S\n0.445371 0.076741 0.135074 S\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Na",
"Nb",
"P",
"S"
],
"chemical_system": "Na-Nb-P-S",
"density": 2.9445097032485608,
"density_atomic": 0.04429690943814775,
"volume": 1264.1965480276542,
"volume_molar": 13.594945643801132,
"formula_full": "Na4 Nb8 P4 S40",
"formula_reduced": "NaNb2PS10",
"formula_anonymous": "ABC2D10",
"energy_above_hull": 2.789118092857142,
"spacegroup": 15
},
{
"id": "jvasp-56458",
"created_at": "2022-09-04T14:37:39.321331Z",
"updated_at": "2022-09-04T14:37:39.321347Z",
"structure_string": "Ba4 Ga2 Ge2 N2\n1.0\n0.000000 7.286317 0.004337\n4.224644 0.000000 0.000000\n0.000000 -3.032424 -8.872536\nBa Ga Ge N\n4 2 2 2\ndirect\n0.809661 0.749999 0.617906 Ba\n0.794539 0.749999 0.037725 Ba\n0.190340 0.250000 0.382094 Ba\n0.205462 0.250000 0.962276 Ba\n0.538146 0.250000 0.753935 Ga\n0.461855 0.749999 0.246065 Ga\n0.663818 0.250000 0.298639 Ge\n0.336182 0.749999 0.701362 Ge\n0.815195 0.250000 0.828312 N\n0.184806 0.749999 0.171688 N\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Ga",
"Ge",
"N"
],
"chemical_system": "Ba-Ga-Ge-N",
"density": 5.242309445700386,
"density_atomic": 0.03662202960115092,
"volume": 273.0596886330333,
"volume_molar": 16.444038808298984,
"formula_full": "Ba4 Ga2 Ge2 N2",
"formula_reduced": "Ba2GaGeN",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.929606693,
"spacegroup": 11
},
{
"id": "jvasp-109165",
"created_at": "2022-09-04T14:37:59.305113Z",
"updated_at": "2022-09-04T14:37:59.305130Z",
"structure_string": "Li1 Bi3 Cl2 O4\n1.0\n6.634985 0.045503 0.000000\n-4.394194 4.971534 0.000000\n-0.000000 -0.000000 5.487204\nLi Bi Cl O\n1 3 2 4\ndirect\n0.696080 0.303919 0.500000 Li\n0.149609 0.850390 -0.000000 Bi\n0.841144 0.158855 -0.000000 Bi\n0.345352 0.654646 0.500000 Bi\n0.495357 0.504642 -0.000000 Cl\n0.987017 0.012981 0.500000 Cl\n0.494235 0.001518 0.750739 O\n-0.001518 0.505764 0.249260 O\n-0.001518 0.505764 0.750739 O\n0.494235 0.001518 0.249260 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Bi",
"Cl",
"O"
],
"chemical_system": "Bi-Cl-Li-O",
"density": 7.010490451598221,
"density_atomic": 0.054915374751654034,
"volume": 182.098365807816,
"volume_molar": 10.966219910606393,
"formula_full": "Li1 Bi3 Cl2 O4",
"formula_reduced": "LiBi3(ClO2)2",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 1.4313365035,
"spacegroup": 38
},
{
"id": "jvasp-25797",
"created_at": "2022-09-04T14:37:39.326258Z",
"updated_at": "2022-09-04T14:37:39.326284Z",
"structure_string": "K2 Na2 Th2 F12\n1.0\n3.160307 -5.473812 -0.000000\n3.160307 5.473812 0.000000\n-0.000000 0.000000 7.862687\nK Na Th F\n2 2 2 12\ndirect\n0.333334 0.666667 0.390371 K\n0.666667 0.333334 0.609629 K\n0.000000 0.000000 0.236524 Na\n0.000000 0.000000 0.763477 Na\n0.666667 0.333334 0.123900 Th\n0.333334 0.666667 0.876100 Th\n0.612683 0.690293 0.098680 F\n0.724147 0.104799 0.326860 F\n0.690293 0.077611 0.901320 F\n0.387318 0.309708 0.901320 F\n0.619349 0.724148 0.673140 F\n0.077611 0.387318 0.098680 F\n0.922390 0.612683 0.901320 F\n0.895202 0.619350 0.326860 F\n0.309708 0.922390 0.098680 F\n0.380652 0.275853 0.326860 F\n0.275854 0.895202 0.673140 F\n0.104799 0.380651 0.673140 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"K",
"Na",
"Th",
"F"
],
"chemical_system": "F-K-Na-Th",
"density": 4.982452471917692,
"density_atomic": 0.06616866484394475,
"volume": 272.0320871284321,
"volume_molar": 9.101197332911125,
"formula_full": "K2 Na2 Th2 F12",
"formula_reduced": "KNaThF6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 0.0,
"spacegroup": 147
},
{
"id": "jvasp-40676",
"created_at": "2022-09-04T14:37:57.947574Z",
"updated_at": "2022-09-04T14:37:57.947600Z",
"structure_string": "Li14 V2 O8 F4\n1.0\n-5.359812 0.114622 0.729844\n2.501480 4.953236 -1.592774\n1.349536 -0.165833 -9.710562\nLi V O F\n14 2 8 4\ndirect\n0.230770 0.069296 0.799890 Li\n0.015824 0.108658 0.252355 Li\n0.468493 0.581403 0.737133 Li\n0.485470 0.985185 0.380952 Li\n0.002196 0.522893 0.118239 Li\n0.957927 0.205948 0.452696 Li\n0.441671 0.681873 0.952996 Li\n0.484149 0.823885 0.183784 Li\n0.516227 0.293813 0.046928 Li\n0.034463 0.761244 0.557772 Li\n0.972360 0.467876 0.864327 Li\n0.561790 0.056972 0.617258 Li\n0.482884 0.382725 0.248997 Li\n0.966614 0.649076 0.321277 Li\n0.002539 -0.025189 0.010298 V\n0.495668 0.525366 0.474200 V\n0.775359 0.864786 0.381554 O\n0.210595 0.456211 0.302710 O\n0.339903 0.709743 0.540280 O\n0.246604 0.328609 0.886765 O\n0.162556 0.774097 0.959047 O\n0.678117 0.320004 0.444233 O\n0.278456 0.042693 0.190786 O\n0.718107 0.641547 0.115147 O\n0.807832 0.197977 0.056538 F\n0.229340 0.122557 0.605694 F\n0.762269 0.536481 0.686515 F\n0.671808 0.914289 0.811621 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 2.6085189343349877,
"density_atomic": 0.10913109520519895,
"volume": 256.57215248643536,
"volume_molar": 5.5182629191767765,
"formula_full": "Li14 V2 O8 F4",
"formula_reduced": "Li7V(O2F)2",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 1.4708506260714285,
"spacegroup": 1
},
{
"id": "jvasp-40166",
"created_at": "2022-09-04T14:37:57.934130Z",
"updated_at": "2022-09-04T14:37:57.934161Z",
"structure_string": "K4 P4 Pd4 S16\n1.0\n8.634936 -0.000000 0.000000\n0.000000 8.634936 0.000000\n0.000000 0.000000 10.397816\nK P Pd S\n4 4 4 16\ndirect\n0.000000 0.500000 0.750000 K\n0.500000 0.000000 0.750000 K\n0.500000 0.000000 0.250000 K\n0.000000 0.500000 0.250000 K\n0.749234 0.749234 0.000000 P\n0.250766 0.250766 0.000000 P\n0.249234 0.750767 0.500000 P\n0.750767 0.249234 0.500000 P\n0.000000 0.000000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.228838 0.512581 0.500000 S\n0.771162 0.487419 0.500000 S\n0.012581 0.271162 0.000000 S\n0.987419 0.728838 0.000000 S\n0.487419 0.771162 0.500000 S\n0.512581 0.228838 0.500000 S\n0.857219 0.142781 0.653096 S\n0.642781 0.642781 0.153096 S\n0.357219 0.357219 0.846905 S\n0.642781 0.642781 0.846905 S\n0.857219 0.142781 0.346905 S\n0.142781 0.857219 0.346905 S\n0.271162 0.012581 0.000000 S\n0.357219 0.357219 0.153096 S\n0.142781 0.857219 0.653096 S\n0.728838 0.987419 0.000000 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"K",
"P",
"Pd",
"S"
],
"chemical_system": "K-P-Pd-S",
"density": 2.6109308372691884,
"density_atomic": 0.03611583476493544,
"volume": 775.2832014611209,
"volume_molar": 16.674516314508242,
"formula_full": "K4 P4 Pd4 S16",
"formula_reduced": "KPPdS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.747599885714286,
"spacegroup": 136
},
{
"id": "jvasp-26381",
"created_at": "2022-09-04T14:37:51.307419Z",
"updated_at": "2022-09-04T14:37:51.307451Z",
"structure_string": "Sm2 Zn2 P2 O2\n1.0\n3.894797 0.004055 9.811714\n1.879494 3.411298 9.811714\n0.006856 0.004055 10.556473\nSm Zn P O\n2 2 2 2\ndirect\n0.380632 0.380634 0.380631 Sm\n0.619367 0.619370 0.619366 Sm\n0.196542 0.196543 0.196542 Zn\n0.803457 0.803460 0.803455 Zn\n0.112938 0.112939 0.112938 P\n0.887061 0.887065 0.887059 P\n0.694756 0.694759 0.694754 O\n0.305244 0.305245 0.305243 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Sm",
"Zn",
"P",
"O"
],
"chemical_system": "O-P-Sm-Zn",
"density": 6.2387031644833755,
"density_atomic": 0.0571972893019885,
"volume": 139.86676812185704,
"volume_molar": 10.528717065951298,
"formula_full": "Sm2 Zn2 P2 O2",
"formula_reduced": "SmZnPO",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.83873206875,
"spacegroup": 166
}
]
}