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=383",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=381",
"results": [
{
"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-37034",
"created_at": "2022-09-04T14:35:53.656759Z",
"updated_at": "2022-09-04T14:35:53.656770Z",
"structure_string": "Ti1 Fe1 Co1 Sb1\n1.0\n3.037963 3.037963 0.000000\n3.037963 -0.000000 -3.037963\n0.000000 3.037963 -3.037963\nTi Fe Co Sb\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.749999 0.749999 0.749999 Fe\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Ti",
"Fe",
"Co",
"Sb"
],
"chemical_system": "Co-Fe-Sb-Ti",
"density": 8.421882660912601,
"density_atomic": 0.07133169682887969,
"volume": 56.076052832386026,
"volume_molar": 8.442447085545634,
"formula_full": "Ti1 Fe1 Co1 Sb1",
"formula_reduced": "TiFeCoSb",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.967005208333333,
"spacegroup": 216
},
{
"id": "jvasp-97842",
"created_at": "2022-09-04T14:35:58.711935Z",
"updated_at": "2022-09-04T14:35:58.711959Z",
"structure_string": "Sr1 V2 P4 O14\n1.0\n4.812940 0.040190 0.182164\n2.094967 6.854603 0.005715\n-0.026599 0.002216 7.821208\nSr V P O\n1 2 4 14\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 V\n-0.000000 0.000000 0.500000 V\n0.618124 0.769524 0.299719 P\n0.381876 0.230476 0.700281 P\n0.042648 0.378675 0.245323 P\n0.957352 0.621326 0.754678 P\n0.814204 0.552312 0.351423 O\n0.619053 0.182834 0.561557 O\n0.380947 0.817167 0.438444 O\n0.099383 0.190615 0.343722 O\n0.492794 0.238113 0.883527 O\n0.507207 0.761888 0.116473 O\n0.185796 0.447688 0.648578 O\n0.893316 0.352875 0.078078 O\n0.106684 0.647125 0.921922 O\n0.680373 0.565234 0.788691 O\n0.319628 0.434766 0.211310 O\n0.900617 0.809385 0.656279 O\n0.817987 0.902330 0.294446 O\n0.182013 0.097671 0.705554 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Sr",
"V",
"P",
"O"
],
"chemical_system": "O-P-Sr-V",
"density": 3.4667636970835964,
"density_atomic": 0.08158402754102062,
"volume": 257.4033255399307,
"volume_molar": 7.381519326159836,
"formula_full": "Sr1 V2 P4 O14",
"formula_reduced": "SrV2(P2O7)2",
"formula_anonymous": "AB2C4D14",
"energy_above_hull": 3.1286202719047616,
"spacegroup": 2
},
{
"id": "jvasp-91738",
"created_at": "2022-09-04T14:36:03.109825Z",
"updated_at": "2022-09-04T14:36:03.109854Z",
"structure_string": "Ca2 Fe2 S2 O2\n1.0\n-1.881971 -3.259671 0.000000\n-1.881971 3.259671 0.000000\n0.000000 0.000000 -11.091922\nCa Fe S O\n2 2 2 2\ndirect\n0.333333 0.666667 0.792387 Ca\n0.666667 0.333333 0.292388 Ca\n0.000000 0.000000 0.056069 Fe\n0.000000 0.000000 0.556069 Fe\n0.666667 0.333333 0.975991 S\n0.333333 0.666667 0.475991 S\n0.000000 0.000000 0.224513 O\n0.000000 0.000000 0.724513 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ca",
"Fe",
"S",
"O"
],
"chemical_system": "Ca-Fe-O-S",
"density": 3.5138246451325905,
"density_atomic": 0.05878499542670597,
"volume": 136.08914897296407,
"volume_molar": 10.244350137797488,
"formula_full": "Ca2 Fe2 S2 O2",
"formula_reduced": "CaFeSO",
"formula_anonymous": "ABCD",
"energy_above_hull": 1.3823298549999996,
"spacegroup": 186
},
{
"id": "jvasp-96785",
"created_at": "2022-09-04T14:36:03.295033Z",
"updated_at": "2022-09-04T14:36:03.295050Z",
"structure_string": "Ba4 Li4 Al4 F24\n1.0\n5.403288 -0.011770 0.000000\n-0.070590 8.502301 0.000000\n0.000000 0.000000 10.074523\nBa Li Al F\n4 4 4 24\ndirect\n0.698433 0.500824 0.807897 Ba\n0.301567 0.499176 0.192103 Ba\n0.698433 0.000824 0.692102 Ba\n0.301567 -0.000824 0.307897 Ba\n0.234181 0.179797 0.915568 Li\n0.765820 0.320203 0.415568 Li\n0.765820 0.820203 0.084432 Li\n0.234181 0.679797 0.584432 Li\n0.234654 0.770170 0.915724 Al\n0.765346 0.729830 0.415724 Al\n0.765346 0.229830 0.084276 Al\n0.234654 0.270170 0.584276 Al\n0.675871 0.526465 0.403253 F\n0.378272 0.746253 0.750474 F\n0.621728 0.753746 0.250474 F\n0.621728 0.253746 0.249525 F\n0.525801 0.207832 0.507167 F\n0.474199 0.292168 0.007167 F\n0.474199 0.792168 0.492832 F\n0.525801 0.707832 0.992832 F\n0.927167 0.305936 0.646724 F\n0.324130 0.973535 0.903253 F\n0.072833 0.194064 0.146724 F\n0.927167 0.805936 0.853276 F\n0.166318 0.057641 0.589901 F\n0.833683 0.442359 0.089901 F\n0.378272 0.246253 0.749525 F\n0.166318 0.557641 0.910098 F\n0.113150 0.292269 0.413486 F\n0.886851 0.207731 0.913486 F\n0.886851 0.707731 0.586513 F\n0.113150 0.792269 0.086513 F\n0.324130 0.473535 0.596747 F\n0.675871 0.026465 0.096747 F\n0.072833 0.694064 0.353276 F\n0.833683 0.942359 0.410098 F\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Ba",
"Li",
"Al",
"F"
],
"chemical_system": "Al-Ba-F-Li",
"density": 4.093626559873309,
"density_atomic": 0.07778417864376744,
"volume": 462.8190543075761,
"volume_molar": 7.742115254028632,
"formula_full": "Ba4 Li4 Al4 F24",
"formula_reduced": "BaLiAlF6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-88680",
"created_at": "2022-09-04T14:36:03.288102Z",
"updated_at": "2022-09-04T14:36:03.288127Z",
"structure_string": "Ba2 La1 Nb1 O6\n1.0\n-3.095290 -3.067530 -4.309570\n3.095290 -3.067530 4.309570\n-3.127500 3.067530 4.366550\nBa La Nb O\n2 1 1 6\ndirect\n0.006979 0.752143 0.759122 Ba\n0.993021 0.247857 0.240878 Ba\n0.500000 0.000000 0.500000 La\n0.500000 0.500000 -0.000000 Nb\n0.427266 0.271950 0.699216 O\n0.572734 0.728050 0.300784 O\n0.040255 0.307289 0.813479 O\n0.493810 0.226775 0.186521 O\n0.959745 0.692711 0.186521 O\n0.506190 0.773225 0.813479 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"La",
"Nb",
"O"
],
"chemical_system": "Ba-La-Nb-O",
"density": 6.040796234076143,
"density_atomic": 0.060383078336702554,
"volume": 165.609311009931,
"volume_molar": 9.973225820684222,
"formula_full": "Ba2 La1 Nb1 O6",
"formula_reduced": "Ba2LaNbO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.235260734,
"spacegroup": 12
},
{
"id": "jvasp-85981",
"created_at": "2022-09-04T14:35:53.699546Z",
"updated_at": "2022-09-04T14:35:53.699572Z",
"structure_string": "Ba1 Bi4 Br2 O6\n1.0\n3.996916 0.000000 -0.499196\n-0.062347 3.996430 -0.499196\n0.039139 0.039754 16.564044\nBa Bi Br O\n1 4 2 6\ndirect\n0.500000 0.500000 -0.000000 Ba\n0.085906 0.085906 0.171810 Bi\n0.914095 0.914093 0.828189 Bi\n0.787588 0.787587 0.575176 Bi\n0.212413 0.212412 0.424823 Bi\n0.335775 0.335774 0.671549 Br\n0.664226 0.664225 0.328450 Br\n0.943323 0.443321 0.886644 O\n0.056678 0.556678 0.113356 O\n0.556678 0.056678 0.113356 O\n0.443322 0.943321 0.886644 O\n0.250000 0.750000 0.500000 O\n0.750001 0.250000 0.500000 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ba",
"Bi",
"Br",
"O"
],
"chemical_system": "Ba-Bi-Br-O",
"density": 7.7089598984057845,
"density_atomic": 0.04910428934201349,
"volume": 264.74265637884383,
"volume_molar": 12.263981091459303,
"formula_full": "Ba1 Bi4 Br2 O6",
"formula_reduced": "BaBi4(BrO3)2",
"formula_anonymous": "AB2C4D6",
"energy_above_hull": 1.5527355676923078,
"spacegroup": 139
},
{
"id": "jvasp-85998",
"created_at": "2022-09-04T14:36:04.227753Z",
"updated_at": "2022-09-04T14:36:04.227780Z",
"structure_string": "Au2 C2 Cl2 O2\n1.0\n3.777337 -0.000000 -0.936399\n-0.000000 5.363890 -0.000000\n0.053040 0.000000 8.300848\nAu C Cl O\n2 2 2 2\ndirect\n0.762193 0.250000 0.524384 Au\n0.237808 0.750000 0.475616 Au\n0.880665 0.250000 0.761328 C\n0.119336 0.750000 0.238672 C\n0.378786 0.750000 0.757572 Cl\n0.621215 0.250000 0.242428 Cl\n0.951441 0.250000 0.902882 O\n0.048560 0.750000 0.097118 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Au",
"C",
"Cl",
"O"
],
"chemical_system": "Au-C-Cl-O",
"density": 5.134452200260955,
"density_atomic": 0.047491353815219274,
"volume": 168.45171504536657,
"volume_molar": 12.680499240832589,
"formula_full": "Au2 C2 Cl2 O2",
"formula_reduced": "AuCClO",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.1263437843749995,
"spacegroup": 63
},
{
"id": "jvasp-85664",
"created_at": "2022-09-04T14:35:58.522485Z",
"updated_at": "2022-09-04T14:35:58.522510Z",
"structure_string": "K2 H6 C4 O6\n1.0\n3.730971 0.012133 0.067720\n-0.240307 5.456405 -1.071359\n0.188542 -0.079984 9.698053\nK H C O\n2 6 4 6\ndirect\n0.880778 0.707030 0.874189 K\n0.119220 0.292971 0.125810 K\n0.016330 0.164739 0.602551 H\n0.983668 0.835262 0.397449 H\n0.158407 0.471605 0.584326 H\n0.841592 0.528396 0.415674 H\n0.439589 0.218073 0.518632 H\n0.560409 0.781928 0.481368 H\n0.754380 0.704999 0.397595 C\n0.245619 0.295002 0.602405 C\n0.495402 0.151262 0.797453 C\n0.504597 0.848739 0.202546 C\n0.662142 0.217272 0.911004 O\n0.408702 0.350146 0.738090 O\n0.591296 0.649855 0.261909 O\n0.404573 0.938740 0.735253 O\n0.595425 0.061261 0.264746 O\n0.337856 0.782730 0.088996 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"K",
"H",
"C",
"O"
],
"chemical_system": "C-H-K-O",
"density": 1.9235703605877268,
"density_atomic": 0.09133917317439927,
"volume": 197.0676914890782,
"volume_molar": 6.593163207752683,
"formula_full": "K2 H6 C4 O6",
"formula_reduced": "KH3C2O3",
"formula_anonymous": "AB2C3D3",
"energy_above_hull": 3.3149231666666665,
"spacegroup": 2
},
{
"id": "jvasp-63159",
"created_at": "2022-09-04T14:35:59.005612Z",
"updated_at": "2022-09-04T14:35:59.005637Z",
"structure_string": "La3 Si3 B3 O15\n1.0\n3.431347 -5.943267 0.000000\n3.431347 5.943267 -0.000000\n0.000000 -0.000000 6.834230\nLa Si B O\n3 3 3 15\ndirect\n0.600918 0.000000 0.833333 La\n0.399083 0.399083 0.500000 La\n0.000000 0.600918 0.166667 La\n0.581609 0.000000 0.333333 Si\n0.418392 0.418392 0.000000 Si\n0.000000 0.581609 0.666667 Si\n0.108653 0.000000 0.833333 B\n0.891348 0.891348 0.500000 B\n0.000000 0.108653 0.166667 B\n0.039199 0.000000 0.333333 O\n0.605716 0.469188 0.166331 O\n0.863471 0.394285 0.832998 O\n0.530813 0.136530 0.499664 O\n0.394285 0.863471 0.167002 O\n0.136530 0.530813 0.500336 O\n0.655471 0.846448 0.471281 O\n0.344530 0.190978 0.862052 O\n0.846448 0.655471 0.528719 O\n0.809023 0.153553 0.195385 O\n0.960802 0.960802 0.000000 O\n0.153553 0.809023 0.804615 O\n0.190978 0.344530 0.137948 O\n0.469188 0.605716 0.833669 O\n0.000000 0.039199 0.666667 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"La",
"Si",
"B",
"O"
],
"chemical_system": "B-La-O-Si",
"density": 4.607253022729184,
"density_atomic": 0.08609972717702909,
"volume": 278.7465278566302,
"volume_molar": 6.994378446307868,
"formula_full": "La3 Si3 B3 O15",
"formula_reduced": "LaSiBO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.7374867104166665,
"spacegroup": 152
},
{
"id": "jvasp-45016",
"created_at": "2022-09-04T14:35:50.829148Z",
"updated_at": "2022-09-04T14:35:50.829176Z",
"structure_string": "Li2 Fe2 Sn2 O8\n1.0\n6.291579 0.000000 0.000000\n3.145788 5.144226 0.128103\n3.145788 1.835518 4.807321\nLi Fe Sn O\n2 2 2 8\ndirect\n0.126481 0.123520 0.123519 Li\n0.873520 0.876482 0.876480 Li\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500001 -0.000000 Fe\n0.000000 0.500001 0.500000 Sn\n0.500000 0.500001 0.500000 Sn\n0.280086 0.256516 0.256515 O\n0.268737 0.238830 0.723696 O\n0.268737 0.723697 0.238829 O\n0.706885 0.256516 0.256515 O\n0.293115 0.743486 0.743484 O\n0.731264 0.761172 0.276303 O\n0.731264 0.276304 0.761170 O\n0.719914 0.743486 0.743484 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Sn",
"O"
],
"chemical_system": "Fe-Li-O-Sn",
"density": 5.290363737176887,
"density_atomic": 0.09084359256421401,
"volume": 154.11103419433695,
"volume_molar": 6.629131004196216,
"formula_full": "Li2 Fe2 Sn2 O8",
"formula_reduced": "LiFeSnO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.0663816,
"spacegroup": 74
},
{
"id": "jvasp-88036",
"created_at": "2022-09-04T14:36:03.285545Z",
"updated_at": "2022-09-04T14:36:03.285579Z",
"structure_string": "Rb2 Nb2 Ge6 O18\n1.0\n7.124373 -0.000000 0.000000\n-3.562186 6.169889 -0.000000\n-0.000000 -0.000000 10.350850\nRb Nb Ge O\n2 2 6 18\ndirect\n0.666667 0.333333 0.000000 Rb\n0.666667 0.333333 0.500000 Rb\n0.333333 0.666667 0.000000 Nb\n0.333333 0.666667 0.500000 Nb\n0.073846 0.784597 0.750000 Ge\n0.710750 0.926154 0.750000 Ge\n0.215403 0.289249 0.750000 Ge\n0.215403 0.926154 0.250000 Ge\n0.073846 0.289249 0.250000 Ge\n0.710750 0.784597 0.250000 Ge\n0.560945 0.659002 0.110170 O\n0.098057 0.659002 0.610170 O\n0.340998 0.439055 0.610170 O\n0.098057 0.659002 0.889830 O\n0.340998 0.439055 0.889830 O\n0.560945 0.901943 0.889830 O\n0.340998 0.901943 0.110170 O\n0.560945 0.659002 0.389830 O\n0.801034 0.733271 0.750000 O\n0.098057 0.439055 0.110170 O\n0.266730 0.067764 0.750000 O\n0.932235 0.198966 0.750000 O\n0.098057 0.439055 0.389830 O\n0.801034 0.067764 0.250000 O\n0.932235 0.733271 0.250000 O\n0.266729 0.198966 0.250000 O\n0.340998 0.901943 0.389830 O\n0.560945 0.901943 0.610170 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Rb",
"Nb",
"Ge",
"O"
],
"chemical_system": "Ge-Nb-O-Rb",
"density": 3.94371050160231,
"density_atomic": 0.06154007431315775,
"volume": 454.98807585959287,
"volume_molar": 9.78572227481438,
"formula_full": "Rb2 Nb2 Ge6 O18",
"formula_reduced": "RbNb(GeO3)3",
"formula_anonymous": "ABC3D9",
"energy_above_hull": 2.3835734821428574,
"spacegroup": 188
}
]
}