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=density&page=613",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=611",
"results": [
{
"id": "jvasp-48310",
"created_at": "2022-09-04T14:35:45.019622Z",
"updated_at": "2022-09-04T14:35:45.019641Z",
"structure_string": "Fe2 P6 O18\n1.0\n6.930410 0.115980 -0.415949\n1.796422 7.065653 -0.241161\n0.291284 0.509255 6.498693\nFe P O\n2 6 18\ndirect\n0.604863 0.136724 0.145880 Fe\n0.395136 0.863276 0.854119 Fe\n0.257441 0.541683 0.129859 P\n0.904470 0.758408 0.337563 P\n0.479907 0.772357 0.353593 P\n0.520092 0.227643 0.646406 P\n0.095529 0.241592 0.662436 P\n0.742558 0.458317 0.870141 P\n0.161925 0.074305 0.821844 O\n0.564950 0.081529 0.829876 O\n0.961082 0.416336 0.787888 O\n0.611704 0.400098 0.689606 O\n0.288091 0.329272 0.631759 O\n0.408432 0.846967 0.555721 O\n0.000212 0.777094 0.533438 O\n-0.000212 0.222906 0.466562 O\n0.038917 0.583664 0.212111 O\n0.711908 0.670728 0.368241 O\n0.388295 0.599902 0.310393 O\n0.665766 0.668176 0.890315 O\n0.435049 0.918472 0.170124 O\n0.838074 0.925696 0.178156 O\n0.334233 0.331825 0.109685 O\n0.737337 0.329382 0.058134 O\n0.591567 0.153033 0.444279 O\n0.262662 0.670619 0.941865 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Fe",
"P",
"O"
],
"chemical_system": "Fe-O-P",
"density": 3.055647736685316,
"density_atomic": 0.0817117455593082,
"volume": 318.1917094296881,
"volume_molar": 7.36998178019462,
"formula_full": "Fe2 P6 O18",
"formula_reduced": "Fe(PO3)3",
"formula_anonymous": "AB3C9",
"energy_above_hull": 3.066621038461538,
"spacegroup": 2
},
{
"id": "jvasp-71222",
"created_at": "2022-09-04T14:36:15.864411Z",
"updated_at": "2022-09-04T14:36:15.864423Z",
"structure_string": "Y1 Mg1 Be2\n1.0\n4.583635 -0.000000 -0.000000\n0.000000 4.583635 0.000000\n0.000000 0.000000 3.394445\nY Mg Be\n1 1 2\ndirect\n0.000000 0.000000 0.500001 Y\n0.500001 0.500001 0.500001 Mg\n0.500001 0.000000 0.000000 Be\n0.000000 0.500001 0.000000 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Be"
],
"chemical_system": "Be-Mg-Y",
"density": 3.055699555826288,
"density_atomic": 0.05608815588722909,
"volume": 71.31630442695254,
"volume_molar": 10.736920593552984,
"formula_full": "Y1 Mg1 Be2",
"formula_reduced": "YMgBe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4850741749999998,
"spacegroup": 123
},
{
"id": "jvasp-56689",
"created_at": "2022-09-04T14:37:06.968210Z",
"updated_at": "2022-09-04T14:37:06.968238Z",
"structure_string": "K2 Mo2 P2 Cl2 O10\n1.0\n6.486858 0.000000 0.000000\n0.000000 6.486858 -0.000000\n0.000000 0.000000 7.269173\nK Mo P Cl O\n2 2 2 2 10\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.500000 K\n0.000000 0.500000 0.098244 Mo\n0.500000 0.000000 0.901755 Mo\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.000000 P\n0.500000 0.000000 0.545870 Cl\n0.000000 0.500000 0.454129 Cl\n0.812294 0.000000 0.869159 O\n0.500000 0.687706 0.869159 O\n0.687706 0.500000 0.130841 O\n0.312294 0.500000 0.130841 O\n0.000000 0.812294 0.130841 O\n0.187706 0.000000 0.869159 O\n0.500000 0.312294 0.869159 O\n0.000000 0.500000 0.868522 O\n0.500000 0.000000 0.131478 O\n0.000000 0.187706 0.130841 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"K",
"Mo",
"P",
"Cl",
"O"
],
"chemical_system": "Cl-K-Mo-O-P",
"density": 3.0559424481733086,
"density_atomic": 0.05884623990762427,
"volume": 305.8819055942413,
"volume_molar": 10.233688285697516,
"formula_full": "K2 Mo2 P2 Cl2 O10",
"formula_reduced": "KMoPClO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.4153867741666666,
"spacegroup": 129
},
{
"id": "jvasp-55696",
"created_at": "2022-09-04T14:38:04.853837Z",
"updated_at": "2022-09-04T14:38:04.853855Z",
"structure_string": "Li4 H4 Se4 O12\n1.0\n4.952831 0.000000 0.000000\n0.000000 5.295842 0.000000\n0.000000 0.000000 11.178928\nLi H Se O\n4 4 4 12\ndirect\n0.490784 0.939803 0.669377 Li\n0.990784 0.560197 0.330623 Li\n0.509216 0.439803 0.830623 Li\n0.009216 0.060197 0.169377 Li\n0.486284 0.934476 0.079522 H\n0.986284 0.565524 0.920479 H\n0.513716 0.434476 0.420479 H\n0.013716 0.065524 0.579522 H\n0.606903 0.007707 0.398479 Se\n0.106903 0.492293 0.601521 Se\n0.393097 0.507707 0.101521 Se\n0.893097 0.992293 0.898479 Se\n0.846361 0.899250 0.304171 O\n0.261046 0.445568 0.964171 O\n0.346361 0.600750 0.695829 O\n0.653639 0.100750 0.804172 O\n0.153639 0.399250 0.195829 O\n0.182725 0.152281 0.613675 O\n0.682725 0.347718 0.386325 O\n0.817275 0.652281 0.886326 O\n0.317275 0.847718 0.113675 O\n0.738954 0.945567 0.535830 O\n0.238954 0.554432 0.464171 O\n0.761046 0.054432 0.035830 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"H",
"Se",
"O"
],
"chemical_system": "H-Li-O-Se",
"density": 3.056013978266828,
"density_atomic": 0.08185072938916516,
"volume": 293.2166906649088,
"volume_molar": 7.357467434856079,
"formula_full": "Li4 H4 Se4 O12",
"formula_reduced": "LiHSeO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.9792656444444443,
"spacegroup": 19
},
{
"id": "jvasp-114180",
"created_at": "2022-09-04T14:38:40.744399Z",
"updated_at": "2022-09-04T14:38:40.744424Z",
"structure_string": "Ca1 Sn1 S3\n1.0\n5.174451 -0.000000 0.000000\n-0.000000 5.174451 -0.000000\n-0.000000 -0.000000 5.174451\nCa Sn S\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.000000 S\n0.000000 0.500000 0.500000 S\n0.500000 0.000000 0.500000 S\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 3.056099486127263,
"density_atomic": 0.036089192786150776,
"volume": 138.5456313647101,
"volume_molar": 16.6868258752271,
"formula_full": "Ca1 Sn1 S3",
"formula_reduced": "CaSnS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.149746424,
"spacegroup": 221
},
{
"id": "jvasp-22529",
"created_at": "2022-09-04T14:36:07.443937Z",
"updated_at": "2022-09-04T14:36:07.443962Z",
"structure_string": "Ca2 Cl2 F2\n1.0\n3.882969 0.000000 -0.000000\n-0.000000 3.882969 -0.000000\n-0.000000 -0.000000 6.813180\nCa Cl F\n2 2 2\ndirect\n0.750000 0.750000 0.803310 Ca\n0.250000 0.250000 0.196690 Ca\n0.250000 0.250000 0.643550 Cl\n0.750000 0.750000 0.356450 Cl\n0.250000 0.750000 0.000000 F\n0.750000 0.250000 0.000000 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Cl",
"F"
],
"chemical_system": "Ca-Cl-F",
"density": 3.0561051984371423,
"density_atomic": 0.05840816211367872,
"volume": 102.7253689017352,
"volume_molar": 10.310443852486266,
"formula_full": "Ca2 Cl2 F2",
"formula_reduced": "CaClF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-112496",
"created_at": "2022-09-04T14:38:41.851664Z",
"updated_at": "2022-09-04T14:38:41.851698Z",
"structure_string": "Na4 Ti4 F16\n1.0\n5.374751 -0.000000 0.000000\n0.000000 7.519429 1.437541\n-0.000000 -0.054230 7.886615\nNa Ti F\n4 4 16\ndirect\n0.221830 0.378578 0.855002 Na\n0.721830 0.121422 0.144998 Na\n0.778170 0.621422 0.144997 Na\n0.278170 0.878579 0.855002 Na\n0.740015 0.195709 0.673231 Ti\n0.240015 0.304291 0.326768 Ti\n0.259985 0.804291 0.326768 Ti\n0.759985 0.695710 0.673231 Ti\n0.925698 0.207069 0.451367 F\n0.425698 0.292931 0.548632 F\n0.635690 0.944331 0.672809 F\n0.135690 0.555669 0.327190 F\n0.364310 0.055669 0.327190 F\n0.864310 0.444331 0.672809 F\n0.548943 0.186523 0.882642 F\n0.032597 0.115459 0.803443 F\n0.451057 0.813478 0.117357 F\n0.951057 0.686523 0.882642 F\n0.574301 0.707069 0.451367 F\n0.532597 0.384541 0.196556 F\n0.967403 0.884541 0.196556 F\n0.467403 0.615460 0.803443 F\n0.048943 0.313478 0.117357 F\n0.074302 0.792931 0.548632 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Na",
"Ti",
"F"
],
"chemical_system": "F-Na-Ti",
"density": 3.0561859906440096,
"density_atomic": 0.07519809742435192,
"volume": 319.1570109090009,
"volume_molar": 8.008368517645247,
"formula_full": "Na4 Ti4 F16",
"formula_reduced": "NaTiF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0421457415277777,
"spacegroup": 14
},
{
"id": "jvasp-18520",
"created_at": "2022-09-04T14:35:49.750876Z",
"updated_at": "2022-09-04T14:35:49.750896Z",
"structure_string": "Li4 Ga2\n1.0\n4.333522 -0.000000 0.000000\n-0.000000 4.031864 -1.927621\n0.000000 0.007416 5.195899\nLi Ga\n4 2\ndirect\n0.250000 0.586062 0.172124 Li\n0.750000 0.413938 0.827877 Li\n0.750000 0.759041 0.518083 Li\n0.250000 0.240959 0.481917 Li\n0.250000 0.920017 0.840033 Ga\n0.750000 0.079983 0.159967 Ga\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Li",
"Ga"
],
"chemical_system": "Ga-Li",
"density": 3.056381146269491,
"density_atomic": 0.06604613654233263,
"volume": 90.8455863448465,
"volume_molar": 9.118081806556658,
"formula_full": "Li4 Ga2",
"formula_reduced": "Li2Ga",
"formula_anonymous": "AB2",
"energy_above_hull": 0.26446,
"spacegroup": 63
},
{
"id": "jvasp-100196",
"created_at": "2022-09-04T14:36:38.028389Z",
"updated_at": "2022-09-04T14:36:38.028419Z",
"structure_string": "Li6 Eu2\n1.0\n6.535972 -0.000000 -0.000000\n-3.267986 5.660319 0.000000\n0.000000 -0.000000 5.074834\nLi Eu\n6 2\ndirect\n0.150325 0.300650 0.250000 Li\n0.699349 0.849675 0.250000 Li\n0.150325 0.849675 0.250000 Li\n0.849674 0.699350 0.749999 Li\n0.300650 0.150326 0.749999 Li\n0.849674 0.150326 0.749999 Li\n0.333333 0.666667 0.749999 Eu\n0.666667 0.333333 0.250000 Eu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Li",
"Eu"
],
"chemical_system": "Eu-Li",
"density": 3.056449510193105,
"density_atomic": 0.042610541724960274,
"volume": 187.7469676785119,
"volume_molar": 14.132983332789616,
"formula_full": "Li6 Eu2",
"formula_reduced": "Li3Eu",
"formula_anonymous": "AB3",
"energy_above_hull": 0.952885,
"spacegroup": 194
},
{
"id": "jvasp-59024",
"created_at": "2022-09-04T14:38:05.940862Z",
"updated_at": "2022-09-04T14:38:05.940889Z",
"structure_string": "Ca12 Al4 N12\n1.0\n0.000000 6.875554 -0.004313\n6.113921 0.000000 0.000000\n0.000000 -0.642611 -9.782256\nCa Al N\n12 4 12\ndirect\n0.646186 0.782382 0.694557 Ca\n0.353813 0.282382 0.805443 Ca\n0.353813 0.217618 0.305443 Ca\n0.646186 0.717618 0.194557 Ca\n0.372726 0.793528 0.923549 Ca\n0.627273 0.293528 0.576452 Ca\n0.627273 0.206472 0.076451 Ca\n0.372726 0.706472 0.423548 Ca\n0.075924 0.640989 0.650090 Ca\n0.924075 0.140989 0.849910 Ca\n0.924075 0.359011 0.349910 Ca\n0.075924 0.859011 0.150090 Ca\n0.839853 0.591389 0.939264 Al\n0.160146 0.091390 0.560736 Al\n0.160146 0.408610 0.060736 Al\n0.839853 0.908610 0.439264 Al\n0.339358 0.568418 0.177252 N\n0.660641 0.068418 0.322748 N\n0.660641 0.431582 0.822748 N\n0.339359 0.931582 0.677252 N\n0.740761 0.622731 0.470932 N\n0.259239 0.122731 0.029068 N\n0.259239 0.377269 0.529068 N\n0.740761 0.877269 0.970932 N\n0.104143 0.538111 0.882213 N\n0.895856 0.038111 0.617787 N\n0.895856 0.461889 0.117787 N\n0.104143 0.961889 0.382213 N\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ca",
"Al",
"N"
],
"chemical_system": "Al-Ca-N",
"density": 3.0565223707496734,
"density_atomic": 0.06808847248170043,
"volume": 411.22966897994854,
"volume_molar": 8.844581968876629,
"formula_full": "Ca12 Al4 N12",
"formula_reduced": "Ca3AlN3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.402783401428571,
"spacegroup": 14
},
{
"id": "jvasp-112413",
"created_at": "2022-09-04T14:38:40.058557Z",
"updated_at": "2022-09-04T14:38:40.058575Z",
"structure_string": "Na6 Fe2 P2 C2 O14\n1.0\n6.571960 -0.000000 0.000000\n0.000000 5.134813 0.050044\n-0.000000 -0.009149 9.008351\nNa Fe P C O\n6 2 2 2 14\ndirect\n0.499873 0.248403 0.262696 Na\n-0.000127 0.751596 0.737304 Na\n0.500127 0.751596 0.737304 Na\n0.000127 0.248403 0.262696 Na\n0.750000 0.234228 0.917761 Na\n0.250000 0.765771 0.082238 Na\n0.250000 0.221353 0.645180 Fe\n0.750000 0.778646 0.354820 Fe\n0.250000 0.701141 0.412867 P\n0.750000 0.298858 0.587132 P\n0.250000 0.272226 0.941203 C\n0.750000 0.727773 0.058797 C\n0.250000 0.837408 0.564621 O\n0.750000 0.162591 0.435379 O\n0.561387 0.222201 0.683239 O\n0.061387 0.777799 0.316760 O\n0.438613 0.777799 0.316760 O\n0.938613 0.222201 0.683239 O\n0.250000 0.047127 0.875297 O\n0.250000 0.283938 0.084829 O\n0.750000 0.516301 0.139293 O\n0.250000 0.483698 0.860707 O\n0.750000 0.952872 0.124703 O\n0.250000 0.399646 0.437217 O\n0.750000 0.716061 0.915170 O\n0.750000 0.600353 0.562782 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Na",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Na-O-P",
"density": 3.0566747742998666,
"density_atomic": 0.08552719051996469,
"volume": 303.99689083591255,
"volume_molar": 7.04120025852392,
"formula_full": "Na6 Fe2 P2 C2 O14",
"formula_reduced": "Na3FePCO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 2.41953403846154,
"spacegroup": 11
},
{
"id": "jvasp-88283",
"created_at": "2022-09-04T14:36:04.100034Z",
"updated_at": "2022-09-04T14:36:04.100064Z",
"structure_string": "Na8 Zn4 P8 O28\n1.0\n7.771738 0.000000 0.000000\n0.000000 7.771738 0.000000\n0.000000 0.000000 10.264515\nNa Zn P O\n8 4 8 28\ndirect\n0.356750 0.356750 0.500000 Na\n0.806126 0.193875 0.500000 Na\n0.643251 0.643251 0.500000 Na\n0.143250 0.856750 0.000000 Na\n0.193875 0.806126 0.500000 Na\n0.856750 0.143250 0.000000 Na\n0.693875 0.693875 0.000000 Na\n0.306126 0.306126 0.000000 Na\n0.500000 0.000000 0.750000 Zn\n0.500000 0.000000 0.250000 Zn\n0.000000 0.500000 0.250000 Zn\n0.000000 0.500000 0.750000 Zn\n0.638731 0.361269 0.791122 P\n0.361269 0.638731 0.791122 P\n0.361269 0.638731 0.208878 P\n0.861269 0.861269 0.291122 P\n0.138731 0.138731 0.708877 P\n0.138731 0.138731 0.291122 P\n0.638731 0.361269 0.208878 P\n0.861269 0.861269 0.708877 P\n0.136318 0.136318 0.143971 O\n0.636319 0.363682 0.356028 O\n0.636319 0.363682 0.643971 O\n0.363682 0.636319 0.643971 O\n0.080863 0.307750 0.355858 O\n0.500000 0.500000 0.848670 O\n0.919137 0.692250 0.355858 O\n0.307750 0.080863 0.644142 O\n0.807750 0.419137 0.855858 O\n0.192250 0.580863 0.855858 O\n0.419137 0.807750 0.144142 O\n0.580863 0.192250 0.144142 O\n0.692250 0.919137 0.644142 O\n0.919137 0.692250 0.644142 O\n0.080863 0.307750 0.644142 O\n0.500000 0.500000 0.151330 O\n0.692250 0.919137 0.355858 O\n0.807750 0.419137 0.144142 O\n0.580863 0.192250 0.855858 O\n0.419137 0.807750 0.855858 O\n0.307750 0.080863 0.355858 O\n0.863682 0.863682 0.856028 O\n0.136318 0.136318 0.856028 O\n0.863682 0.863682 0.143971 O\n0.363682 0.636319 0.356028 O\n0.000000 0.000000 0.348670 O\n0.192250 0.580863 0.144142 O\n0.000000 0.000000 0.651330 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Na",
"Zn",
"P",
"O"
],
"chemical_system": "Na-O-P-Zn",
"density": 3.0569238750884495,
"density_atomic": 0.07742237705770984,
"volume": 619.9757980076134,
"volume_molar": 7.778294840406616,
"formula_full": "Na8 Zn4 P8 O28",
"formula_reduced": "Na2ZnP2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 1.8289769916666665,
"spacegroup": 136
}
]
}