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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=1239",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=1237",
"results": [
{
"id": "jvasp-116806",
"created_at": "2022-09-04T14:38:44.932045Z",
"updated_at": "2022-09-04T14:38:44.932069Z",
"structure_string": "Ba6 Fe4 Cl4 O10\n1.0\n8.217774 0.007783 -2.914144\n-4.117529 7.118985 -2.896014\n0.008255 -0.007803 8.718871\nBa Fe Cl O\n6 4 4 10\ndirect\n0.402349 0.250001 0.652349 Ba\n0.652348 0.402332 0.250005 Ba\n0.749988 0.847642 0.097646 Ba\n0.097665 0.750013 0.847670 Ba\n0.249998 0.652357 0.402357 Ba\n0.847660 0.097659 0.750005 Ba\n0.314007 0.499994 0.000003 Fe\n0.500005 0.000003 0.314005 Fe\n0.185992 0.185997 0.185998 Fe\n0.000006 0.314009 0.500002 Fe\n0.000006 0.885551 0.499992 Cl\n0.885553 0.500011 0.000005 Cl\n0.499994 -0.000015 0.885534 Cl\n0.614440 0.614452 0.614451 Cl\n0.524121 0.499980 0.000005 O\n0.500012 0.000020 0.524137 O\n-0.000003 0.524136 0.500019 O\n0.975871 0.975867 0.975871 O\n0.138299 0.250019 0.388295 O\n0.249969 0.388276 0.138275 O\n0.361729 0.750000 0.111710 O\n0.388266 0.138269 0.249976 O\n0.750000 0.111726 0.361699 O\n0.111722 0.361707 0.749996 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Fe",
"Cl",
"O"
],
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"density": 4.390666680350061,
"density_atomic": 0.0470362856352854,
"volume": 510.2443714644811,
"volume_molar": 12.80318094565347,
"formula_full": "Ba6 Fe4 Cl4 O10",
"formula_reduced": "Ba3Fe2Cl2O5",
"formula_anonymous": "A2B2C3D5",
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"spacegroup": 199
},
{
"id": "jvasp-121795",
"created_at": "2022-09-04T14:38:55.559104Z",
"updated_at": "2022-09-04T14:38:55.559131Z",
"structure_string": "Ba4 Si4 Pd4\n1.0\n6.730247 -0.000000 0.000000\n0.000000 6.730247 0.000000\n-0.000000 -0.000000 6.730247\nBa Si Pd\n4 4 4\ndirect\n0.366497 0.866498 0.633503 Ba\n0.866498 0.633503 0.366497 Ba\n0.633503 0.366497 0.866498 Ba\n0.133503 0.133503 0.133503 Ba\n0.657291 0.157290 0.342710 Si\n0.157290 0.342710 0.657291 Si\n0.342710 0.657291 0.157290 Si\n0.842710 0.842710 0.842710 Si\n0.092978 0.592978 0.907022 Pd\n0.592978 0.907022 0.092978 Pd\n0.907022 0.092978 0.592978 Pd\n0.407022 0.407022 0.407022 Pd\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Si",
"Pd"
],
"chemical_system": "Ba-Pd-Si",
"density": 5.92266895629122,
"density_atomic": 0.03936300421251376,
"volume": 304.8547802706868,
"volume_molar": 15.298986651241224,
"formula_full": "Ba4 Si4 Pd4",
"formula_reduced": "BaSiPd",
"formula_anonymous": "ABC",
"energy_above_hull": null,
"spacegroup": 198
},
{
"id": "jvasp-122045",
"created_at": "2022-09-04T14:38:54.985310Z",
"updated_at": "2022-09-04T14:38:54.985329Z",
"structure_string": "In4 H4 O8\n1.0\n5.392018 -0.000000 0.000000\n0.000000 5.392018 0.000000\n-0.000000 -0.000000 5.392018\nIn H O\n4 4 8\ndirect\n0.489819 0.989819 0.510181 In\n0.989819 0.510181 0.489819 In\n0.510181 0.489819 0.989819 In\n0.010181 0.010181 0.010181 In\n0.023614 0.523614 0.976386 H\n0.523614 0.976386 0.023614 H\n0.976386 0.023614 0.523614 H\n0.476386 0.476386 0.476386 H\n0.136088 0.636089 0.863912 O\n0.636089 0.863912 0.136088 O\n0.863912 0.136088 0.636089 O\n0.363912 0.363912 0.363912 O\n0.865553 0.365553 0.134447 O\n0.365553 0.134447 0.865553 O\n0.134447 0.865553 0.365553 O\n0.634447 0.634447 0.634447 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"In",
"H",
"O"
],
"chemical_system": "H-In-O",
"density": 6.263285557743739,
"density_atomic": 0.10206244844223661,
"volume": 156.76676627109705,
"volume_molar": 5.900447081091043,
"formula_full": "In4 H4 O8",
"formula_reduced": "InHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3587717425,
"spacegroup": 198
},
{
"id": "jvasp-120505",
"created_at": "2022-09-04T14:38:53.107780Z",
"updated_at": "2022-09-04T14:38:53.107811Z",
"structure_string": "Sb4 Te4 Rh4\n1.0\n6.496760 0.000000 0.000000\n0.000000 6.496760 0.000000\n-0.000000 0.000000 6.496760\nSb Te Rh\n4 4 4\ndirect\n0.127533 0.872467 0.372467 Sb\n0.872467 0.372467 0.127533 Sb\n0.372467 0.127533 0.872467 Sb\n0.627533 0.627533 0.627533 Sb\n0.872997 0.127003 0.627003 Te\n0.127003 0.627003 0.872997 Te\n0.627003 0.872997 0.127003 Te\n0.372997 0.372997 0.372997 Te\n0.502306 0.497694 0.997694 Rh\n0.497694 0.997694 0.502306 Rh\n0.997694 0.502306 0.497694 Rh\n0.002306 0.002306 0.002306 Rh\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sb",
"Te",
"Rh"
],
"chemical_system": "Rh-Sb-Te",
"density": 8.532744265668722,
"density_atomic": 0.04376135646666866,
"volume": 274.2145346691878,
"volume_molar": 13.761321051797909,
"formula_full": "Sb4 Te4 Rh4",
"formula_reduced": "SbTeRh",
"formula_anonymous": "ABC",
"energy_above_hull": 1.4454456222222225,
"spacegroup": 198
},
{
"id": "jvasp-120506",
"created_at": "2022-09-04T14:38:52.924678Z",
"updated_at": "2022-09-04T14:38:52.924713Z",
"structure_string": "Sb4 Te4 Pt4\n1.0\n6.662989 -0.000000 0.000000\n0.000000 6.662989 0.000000\n0.000000 0.000000 6.662989\nSb Te Pt\n4 4 4\ndirect\n0.127157 0.872843 0.372843 Sb\n0.872843 0.372843 0.127157 Sb\n0.372843 0.127157 0.872843 Sb\n0.627157 0.627157 0.627157 Sb\n0.872690 0.127310 0.627310 Te\n0.127310 0.627310 0.872690 Te\n0.627310 0.872690 0.127310 Te\n0.372690 0.372690 0.372690 Te\n0.506073 0.493927 0.993927 Pt\n0.493927 0.993927 0.506073 Pt\n0.993927 0.506073 0.493927 Pt\n0.006073 0.006073 0.006073 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sb",
"Te",
"Pt"
],
"chemical_system": "Pt-Sb-Te",
"density": 9.979731283300982,
"density_atomic": 0.04056709949225301,
"volume": 295.8062111956416,
"volume_molar": 14.844888679187015,
"formula_full": "Sb4 Te4 Pt4",
"formula_reduced": "SbTePt",
"formula_anonymous": "ABC",
"energy_above_hull": 1.3931050888888894,
"spacegroup": 198
},
{
"id": "jvasp-119566",
"created_at": "2022-09-04T14:38:52.034316Z",
"updated_at": "2022-09-04T14:38:52.034341Z",
"structure_string": "Bi4 Pt4 Se4\n1.0\n6.563512 0.000000 0.000000\n0.000000 6.563512 0.000000\n0.000000 0.000000 6.563512\nBi Pt Se\n4 4 4\ndirect\n0.128906 0.628906 0.871094 Bi\n0.628906 0.871094 0.128906 Bi\n0.871094 0.128906 0.628906 Bi\n0.371094 0.371094 0.371094 Bi\n0.489118 0.989118 0.510882 Pt\n0.989118 0.510882 0.489118 Pt\n0.510882 0.489118 0.989118 Pt\n0.010882 0.010882 0.010882 Pt\n0.879370 0.379370 0.120630 Se\n0.379370 0.120630 0.879370 Se\n0.120630 0.879370 0.379370 Se\n0.620629 0.620629 0.620629 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Bi",
"Pt",
"Se"
],
"chemical_system": "Bi-Pt-Se",
"density": 11.34669308137615,
"density_atomic": 0.042439708793290266,
"volume": 282.75406078887147,
"volume_molar": 14.18987295443484,
"formula_full": "Bi4 Pt4 Se4",
"formula_reduced": "BiPtSe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.3342796888888886,
"spacegroup": 198
},
{
"id": "jvasp-90679",
"created_at": "2022-09-04T14:35:42.193066Z",
"updated_at": "2022-09-04T14:35:42.193094Z",
"structure_string": "Os4 C4\n1.0\n4.494072 0.000000 0.000000\n0.000000 4.494072 -0.000000\n-0.000000 -0.000000 4.494072\nOs C\n4 4\ndirect\n0.184855 0.684855 0.815144 Os\n0.684855 0.815144 0.184855 Os\n0.815144 0.184855 0.684855 Os\n0.315144 0.315144 0.315144 Os\n0.445481 0.945481 0.554518 C\n0.945481 0.554518 0.445481 C\n0.554518 0.445481 0.945481 C\n0.054519 0.054519 0.054519 C\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Os",
"C"
],
"chemical_system": "C-Os",
"density": 14.799858751168758,
"density_atomic": 0.08813936330170574,
"volume": 90.76534819766707,
"volume_molar": 6.832521287209542,
"formula_full": "Os4 C4",
"formula_reduced": "OsC",
"formula_anonymous": "AB",
"energy_above_hull": 4.362572500000001,
"spacegroup": 198
},
{
"id": "jvasp-97696",
"created_at": "2022-09-04T14:35:43.953804Z",
"updated_at": "2022-09-04T14:35:43.953822Z",
"structure_string": "K12 Bi4 Se12\n1.0\n9.725069 0.000000 0.000000\n0.000000 9.725069 0.000000\n0.000000 -0.000000 9.725069\nK Bi Se\n12 4 12\ndirect\n0.325285 0.325285 0.325285 K\n0.174715 0.674715 0.825285 K\n0.825285 0.174715 0.674715 K\n0.674715 0.825285 0.174715 K\n0.571606 0.571606 0.571606 K\n0.928394 0.428394 0.071606 K\n0.071606 0.928394 0.428394 K\n0.428394 0.071606 0.928394 K\n0.815397 0.815397 0.815397 K\n0.684603 0.184603 0.315397 K\n0.315397 0.684603 0.184603 K\n0.184603 0.315397 0.684603 K\n0.461169 0.961169 0.538831 Bi\n0.961169 0.538831 0.461169 Bi\n0.538831 0.461169 0.961169 Bi\n0.038831 0.038831 0.038831 Bi\n0.116014 -0.000530 0.772549 Se\n0.227452 0.616014 0.500531 Se\n0.500531 0.227452 0.616014 Se\n0.616014 0.500531 0.227452 Se\n0.883986 0.499470 0.727452 Se\n0.000530 0.272548 0.383986 Se\n0.383986 0.000530 0.272548 Se\n-0.000530 0.772549 0.116014 Se\n0.499470 0.727452 0.883986 Se\n0.772549 0.116014 -0.000530 Se\n0.272548 0.383986 0.000530 Se\n0.727452 0.883986 0.499470 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
"K",
"Bi",
"Se"
],
"chemical_system": "Bi-K-Se",
"density": 4.066859702201377,
"density_atomic": 0.030442474945018557,
"volume": 919.7675304182773,
"volume_molar": 19.78203405234446,
"formula_full": "K12 Bi4 Se12",
"formula_reduced": "K3BiSe3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.2235054857142856,
"spacegroup": 198
},
{
"id": "jvasp-48024",
"created_at": "2022-09-04T14:35:45.189678Z",
"updated_at": "2022-09-04T14:35:45.189704Z",
"structure_string": "Li4 Mn4 F12\n1.0\n6.134569 -0.000000 0.000000\n0.000000 6.134569 -0.000000\n0.000000 0.000000 6.134569\nLi Mn F\n4 4 12\ndirect\n0.624987 0.624987 0.624987 Li\n0.375013 0.124987 0.875013 Li\n0.875013 0.375013 0.124987 Li\n0.124987 0.875013 0.375013 Li\n0.336311 0.336311 0.336311 Mn\n0.163689 0.663689 0.836311 Mn\n0.836311 0.163689 0.663689 Mn\n0.663689 0.836311 0.163689 Mn\n0.766465 0.870705 0.493738 F\n0.733536 0.129295 0.993738 F\n0.506262 0.266465 0.629295 F\n0.629295 0.506262 0.266465 F\n0.370705 0.006262 0.233535 F\n0.006262 0.233535 0.370705 F\n0.266465 0.629295 0.506262 F\n0.233535 0.370705 0.006262 F\n0.993738 0.733536 0.129295 F\n0.129295 0.993738 0.733536 F\n0.493738 0.766465 0.870705 F\n0.870705 0.493738 0.766465 F\n",
"nsites": 20,
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"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.420146652292911,
"density_atomic": 0.08663189786709473,
"volume": 230.86184756892612,
"volume_molar": 6.951412710868686,
"formula_full": "Li4 Mn4 F12",
"formula_reduced": "LiMnF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.419411617775862,
"spacegroup": 198
},
{
"id": "jvasp-90627",
"created_at": "2022-09-04T14:35:46.331693Z",
"updated_at": "2022-09-04T14:35:46.331727Z",
"structure_string": "Si4 Ni4\n1.0\n4.539732 -0.000000 -0.000000\n-0.000000 4.539732 -0.000000\n0.000000 -0.000000 4.539732\nSi Ni\n4 4\ndirect\n0.654191 0.154191 0.345809 Si\n0.154191 0.345809 0.654191 Si\n0.345809 0.654191 0.154191 Si\n0.845809 0.845809 0.845809 Si\n0.351072 0.851072 0.648928 Ni\n0.851072 0.648928 0.351072 Ni\n0.648928 0.351072 0.851072 Ni\n0.148928 0.148928 0.148928 Ni\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"Ni"
],
"chemical_system": "Ni-Si",
"density": 6.160735783737197,
"density_atomic": 0.0855065415386818,
"volume": 93.56009325182363,
"volume_molar": 7.042900638515101,
"formula_full": "Si4 Ni4",
"formula_reduced": "SiNi",
"formula_anonymous": "AB",
"energy_above_hull": 1.2469904999999997,
"spacegroup": 198
},
{
"id": "jvasp-88650",
"created_at": "2022-09-04T14:35:47.240450Z",
"updated_at": "2022-09-04T14:35:47.240481Z",
"structure_string": "Hg12 Cl16 O4\n1.0\n9.316908 -0.000000 -0.000000\n0.000000 9.316908 -0.000000\n0.000000 -0.000000 9.316908\nHg Cl O\n12 16 4\ndirect\n0.229864 0.176338 0.515717 Hg\n0.176338 0.515717 0.229864 Hg\n0.323662 0.484283 0.729864 Hg\n0.015717 0.270136 0.823662 Hg\n0.823662 0.015717 0.270136 Hg\n0.984283 0.770136 0.676338 Hg\n0.484283 0.729864 0.323662 Hg\n0.676338 0.984283 0.770136 Hg\n0.729864 0.323662 0.484283 Hg\n0.770136 0.676338 0.984283 Hg\n0.270136 0.823662 0.015717 Hg\n0.515717 0.229864 0.176338 Hg\n0.479028 0.666968 0.804032 Cl\n0.020972 0.333032 0.304032 Cl\n0.333032 0.304032 0.020972 Cl\n0.304032 0.020972 0.333032 Cl\n0.927755 0.072245 0.572245 Cl\n0.427755 0.427755 0.427755 Cl\n0.572245 0.927755 0.072245 Cl\n0.833032 0.195968 0.979029 Cl\n0.979029 0.833032 0.195968 Cl\n0.166968 0.695969 0.520972 Cl\n0.666968 0.804032 0.479028 Cl\n0.520972 0.166968 0.695969 Cl\n0.804032 0.479028 0.666968 Cl\n0.695969 0.520972 0.166968 Cl\n0.195968 0.979029 0.833032 Cl\n0.072245 0.572245 0.927755 Cl\n0.674257 0.174257 0.325743 O\n0.325743 0.674257 0.174257 O\n0.174257 0.325743 0.674257 O\n0.825744 0.825744 0.825744 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Hg",
"Cl",
"O"
],
"chemical_system": "Cl-Hg-O",
"density": 6.238324893351833,
"density_atomic": 0.039567130661555906,
"volume": 808.7520996586125,
"volume_molar": 15.220059325280351,
"formula_full": "Hg12 Cl16 O4",
"formula_reduced": "Hg3Cl4O",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.0,
"spacegroup": 198
},
{
"id": "jvasp-50820",
"created_at": "2022-09-04T14:35:48.906618Z",
"updated_at": "2022-09-04T14:35:48.906647Z",
"structure_string": "Li12 Bi4 O12\n1.0\n7.074850 -0.000000 0.000000\n0.000000 7.074850 0.000000\n-0.000000 0.000000 7.074850\nLi Bi O\n12 4 12\ndirect\n0.979388 0.979388 0.979388 Li\n0.243236 0.256764 0.743236 Li\n0.243686 0.743686 0.756314 Li\n0.256314 0.256314 0.256314 Li\n0.256764 0.743236 0.243236 Li\n0.520612 0.020612 0.479388 Li\n0.479388 0.520612 0.020612 Li\n0.743236 0.243236 0.256764 Li\n0.743686 0.756314 0.243686 Li\n0.756314 0.243686 0.743686 Li\n0.756764 0.756764 0.756764 Li\n0.020612 0.479388 0.520612 Li\n0.963043 0.463043 0.036957 Bi\n0.536957 0.536957 0.536957 Bi\n0.463043 0.036957 0.963043 Bi\n0.036957 0.963043 0.463043 Bi\n0.997424 0.256576 0.377442 O\n0.122558 0.002576 0.756576 O\n0.256576 0.377442 0.997424 O\n0.243424 0.622558 0.497424 O\n0.377442 0.997424 0.256576 O\n0.502576 0.743424 0.877442 O\n0.497424 0.243424 0.622558 O\n0.622558 0.497424 0.243424 O\n0.756576 0.122558 0.002576 O\n0.743424 0.877442 0.502576 O\n0.877442 0.502576 0.743424 O\n0.002576 0.756576 0.122558 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"Bi",
"O"
],
"chemical_system": "Bi-Li-O",
"density": 5.210652635532369,
"density_atomic": 0.07906901379775869,
"volume": 354.1210223213091,
"volume_molar": 7.6163094374786615,
"formula_full": "Li12 Bi4 O12",
"formula_reduced": "Li3BiO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 1.4169578285714284,
"spacegroup": 198
}
]
}