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=709",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=707",
"results": [
{
"id": "jvasp-91248",
"created_at": "2022-09-04T14:35:42.639753Z",
"updated_at": "2022-09-04T14:35:42.639786Z",
"structure_string": "Li4 Nb4 Zn4 O16\n1.0\n6.140072 -0.000000 -0.000000\n-0.000000 6.140072 0.000000\n-0.000000 0.000000 8.450348\nLi Nb Zn O\n4 4 4 16\ndirect\n0.212550 0.000000 0.250000 Li\n0.000000 0.212550 0.000000 Li\n0.000000 0.787450 0.500000 Li\n0.787450 0.000000 0.750000 Li\n0.212412 0.500000 0.250000 Nb\n0.787588 0.500000 0.750000 Nb\n0.500000 0.787588 0.500000 Nb\n0.500000 0.212412 0.000000 Nb\n0.741445 0.258554 0.375000 Zn\n0.741445 0.741445 0.125000 Zn\n0.258554 0.741445 0.875000 Zn\n0.258554 0.258554 0.625000 Zn\n0.734828 0.481573 0.985192 O\n0.265171 0.518426 0.485192 O\n0.518426 0.734828 0.735192 O\n0.265171 0.481573 0.014808 O\n0.015222 0.260508 0.251167 O\n0.739491 0.984777 0.498833 O\n0.984777 0.739491 0.751167 O\n0.260508 0.984777 0.501167 O\n0.739491 0.015222 0.001167 O\n0.481573 0.265171 0.235192 O\n0.260508 0.015222 0.998833 O\n0.518426 0.265171 0.764808 O\n0.481573 0.734828 0.264808 O\n0.015222 0.739491 0.248833 O\n0.734828 0.518426 0.514808 O\n0.984777 0.260508 0.748833 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Nb",
"Zn",
"O"
],
"chemical_system": "Li-Nb-O-Zn",
"density": 4.779741954973137,
"density_atomic": 0.0878894019702128,
"volume": 318.5822109642943,
"volume_molar": 6.851953278782127,
"formula_full": "Li4 Nb4 Zn4 O16",
"formula_reduced": "LiNbZnO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.9842291142857145,
"spacegroup": 95
},
{
"id": "jvasp-99749",
"created_at": "2022-09-04T14:36:52.698674Z",
"updated_at": "2022-09-04T14:36:52.698698Z",
"structure_string": "Al2 Ni6\n1.0\n5.076572 0.000000 0.000000\n-2.538286 4.396440 0.000000\n-0.000000 0.000000 4.078420\nAl Ni\n2 6\ndirect\n0.333332 0.666667 0.750000 Al\n0.666666 0.333333 0.250000 Al\n0.164776 0.329553 0.250000 Ni\n0.670446 0.835224 0.250000 Ni\n0.164776 0.835224 0.250000 Ni\n0.835223 0.670447 0.750000 Ni\n0.329552 0.164776 0.750000 Ni\n0.835223 0.164776 0.750000 Ni\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Al",
"Ni"
],
"chemical_system": "Al-Ni",
"density": 7.408726196843488,
"density_atomic": 0.08788734368712714,
"volume": 91.02562057717259,
"volume_molar": 6.852113748526072,
"formula_full": "Al2 Ni6",
"formula_reduced": "AlNi3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.090075,
"spacegroup": 194
},
{
"id": "jvasp-9398",
"created_at": "2022-09-04T14:36:30.764995Z",
"updated_at": "2022-09-04T14:36:30.765028Z",
"structure_string": "Mg2 Rh4 O8\n1.0\n5.269515 0.000000 3.042356\n1.756505 4.968147 3.042356\n0.000000 0.000000 6.084713\nMg Rh O\n2 4 8\ndirect\n0.875001 0.875001 0.875000 Mg\n0.125000 0.125000 0.125000 Mg\n0.500001 0.500000 0.000000 Rh\n0.500001 0.500000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n0.500000 -0.000000 0.500000 Rh\n0.739878 0.739877 0.739877 O\n0.260124 0.260123 0.719631 O\n0.260124 0.719632 0.260123 O\n0.719632 0.260123 0.260123 O\n0.739878 0.280369 0.739877 O\n0.280370 0.739877 0.739876 O\n0.260124 0.260123 0.260123 O\n0.739878 0.739877 0.280369 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Rh",
"O"
],
"chemical_system": "Mg-O-Rh",
"density": 6.131814655089931,
"density_atomic": 0.08788663865241333,
"volume": 159.29611388790514,
"volume_molar": 6.852168716813969,
"formula_full": "Mg2 Rh4 O8",
"formula_reduced": "Mg(RhO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.165959864285714,
"spacegroup": 227
},
{
"id": "jvasp-49248",
"created_at": "2022-09-04T14:38:32.279149Z",
"updated_at": "2022-09-04T14:38:32.279174Z",
"structure_string": "Sc8 C12\n1.0\n6.280595 -0.000000 -2.220526\n-3.140297 5.439155 -2.220526\n0.000000 -0.000000 6.661577\nSc C\n8 12\ndirect\n0.100372 0.100372 0.100372 Sc\n-0.000001 0.899628 0.499999 Sc\n0.500000 0.000000 0.899629 Sc\n-0.000000 0.399628 0.500000 Sc\n0.500000 0.000000 0.399628 Sc\n0.399628 0.500000 -0.000001 Sc\n0.600372 0.600371 0.600371 Sc\n0.899629 0.500000 -0.000001 Sc\n0.788698 0.038698 0.750000 C\n0.038697 0.749999 0.788697 C\n0.750000 0.788697 0.038696 C\n0.711302 0.461302 0.249999 C\n0.250000 0.711302 0.461302 C\n0.961303 0.211302 0.750000 C\n0.211302 0.749999 0.961302 C\n0.538698 0.288697 0.250000 C\n0.288698 0.250000 0.538697 C\n0.750000 0.961301 0.211301 C\n0.250000 0.538697 0.288697 C\n0.461302 0.250000 0.711302 C\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sc",
"C"
],
"chemical_system": "C-Sc",
"density": 3.6760129506396395,
"density_atomic": 0.08788620653103155,
"volume": 227.56699588505103,
"volume_molar": 6.852202407750591,
"formula_full": "Sc8 C12",
"formula_reduced": "Sc2C3",
"formula_anonymous": "A2B3",
"energy_above_hull": 4.8814841,
"spacegroup": 220
},
{
"id": "jvasp-12444",
"created_at": "2022-09-04T14:37:16.546903Z",
"updated_at": "2022-09-04T14:37:16.546923Z",
"structure_string": "Mn4 Co6 Ge2\n1.0\n2.344958 -4.061586 0.000000\n2.344958 4.061586 0.000000\n0.000000 -0.000000 7.168102\nMn Co Ge\n4 6 2\ndirect\n0.333333 0.666668 0.082623 Mn\n0.333333 0.666668 0.417376 Mn\n0.666668 0.333333 0.917376 Mn\n0.666668 0.333333 0.582623 Mn\n0.823945 0.647888 0.250000 Co\n0.176056 0.352113 0.750000 Co\n0.647888 0.823945 0.750000 Co\n0.352113 0.176056 0.250000 Co\n0.176056 0.823945 0.750000 Co\n0.823945 0.176056 0.250000 Co\n0.000000 0.000000 0.000000 Ge\n0.000000 0.000000 0.500000 Ge\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mn",
"Co",
"Ge"
],
"chemical_system": "Co-Ge-Mn",
"density": 8.739575981008842,
"density_atomic": 0.08788532271831194,
"volume": 136.5415706381614,
"volume_molar": 6.852271316454092,
"formula_full": "Mn4 Co6 Ge2",
"formula_reduced": "Mn2Co3Ge",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.564892188793103,
"spacegroup": 194
},
{
"id": "jvasp-12806",
"created_at": "2022-09-04T14:38:11.594008Z",
"updated_at": "2022-09-04T14:38:11.594034Z",
"structure_string": "Na8 B4 O10\n1.0\n5.993600 0.026774 1.744174\n1.389515 6.266186 1.855726\n0.013151 0.023448 6.681230\nNa B O\n8 4 10\ndirect\n0.921906 0.403252 0.330705 Na\n0.078095 0.596748 0.669295 Na\n0.421906 0.330705 0.403252 Na\n0.271338 0.684606 0.032678 Na\n0.228664 0.967322 0.315394 Na\n0.728663 0.315394 0.967322 Na\n0.771337 0.032678 0.684606 Na\n0.578095 0.669295 0.596748 Na\n0.832950 0.928981 0.253765 B\n0.332949 0.253766 0.928981 B\n0.167050 0.071019 0.746235 B\n0.667051 0.746235 0.071019 B\n0.716195 0.685351 0.881519 O\n0.039330 0.257763 0.651866 O\n0.283805 0.314650 0.118481 O\n0.960670 0.742237 0.348133 O\n0.539331 0.651867 0.257763 O\n0.460670 0.348134 0.742237 O\n0.750001 0.927374 0.072626 O\n0.250000 0.072627 0.927373 O\n0.783805 0.118481 0.314649 O\n0.216195 0.881519 0.685351 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Na",
"B",
"O"
],
"chemical_system": "B-Na-O",
"density": 2.5681470665156008,
"density_atomic": 0.08788349227668435,
"volume": 250.3314266430971,
"volume_molar": 6.852414035892478,
"formula_full": "Na8 B4 O10",
"formula_reduced": "Na4B2O5",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 1.79352896969697,
"spacegroup": 15
},
{
"id": "jvasp-112348",
"created_at": "2022-09-04T14:38:26.435606Z",
"updated_at": "2022-09-04T14:38:26.435629Z",
"structure_string": "Sr2 Nd1 Sm1 Mn4 O12\n1.0\n5.431010 0.003980 0.046999\n0.050797 5.430774 0.046999\n0.006683 0.006626 7.716175\nSr Nd Sm Mn O\n2 1 1 4 12\ndirect\n0.749736 0.749737 0.999739 Sr\n0.249791 0.249792 0.499846 Sr\n0.753474 0.753474 0.504655 Nd\n0.256769 0.256768 0.005670 Sm\n0.250586 0.750748 0.751274 Mn\n0.750382 0.250044 0.249610 Mn\n0.250044 0.750381 0.249610 Mn\n0.750748 0.250586 0.751274 Mn\n0.473859 0.473859 0.724456 O\n0.974559 0.974558 0.222965 O\n0.034387 0.464147 0.240001 O\n0.534230 0.965771 0.742726 O\n0.209040 0.776159 0.499674 O\n0.965771 0.534230 0.742726 O\n0.776159 0.209040 0.499674 O\n0.276501 0.703459 0.999588 O\n0.039815 0.039816 0.790601 O\n0.464147 0.034387 0.240001 O\n0.703458 0.276501 0.999588 O\n0.536543 0.536543 0.286329 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"Nd",
"Sm",
"Mn",
"O"
],
"chemical_system": "Mn-Nd-O-Sm-Sr",
"density": 6.432492531686071,
"density_atomic": 0.08788100631170638,
"volume": 227.58046180151507,
"volume_molar": 6.852607875972634,
"formula_full": "Sr2 Nd1 Sm1 Mn4 O12",
"formula_reduced": "Sr2NdSmMn4O12",
"formula_anonymous": "ABC2D4E12",
"energy_above_hull": 2.894211198025862,
"spacegroup": 8
},
{
"id": "jvasp-69869",
"created_at": "2022-09-04T14:36:01.196554Z",
"updated_at": "2022-09-04T14:36:01.196582Z",
"structure_string": "Be2 Pt1 Rh1\n1.0\n2.845388 0.000000 0.000000\n0.000000 2.845388 0.000000\n0.000000 0.000000 5.622074\nBe Pt Rh\n2 1 1\ndirect\n0.000000 0.000000 0.015973 Be\n0.500000 0.500000 0.225016 Be\n0.000000 0.000000 0.444662 Pt\n0.500000 0.500000 0.814348 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Pt",
"Rh"
],
"chemical_system": "Be-Pt-Rh",
"density": 11.528576473827874,
"density_atomic": 0.08787805627642756,
"volume": 45.517620319430776,
"volume_molar": 6.852837915596208,
"formula_full": "Be2 Pt1 Rh1",
"formula_reduced": "Be2PtRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.16151165,
"spacegroup": 99
},
{
"id": "jvasp-104768",
"created_at": "2022-09-04T14:37:00.616361Z",
"updated_at": "2022-09-04T14:37:00.616403Z",
"structure_string": "Al1 In1 Cu1 O4\n1.0\n3.290679 0.034401 8.024322\n1.609339 2.870502 8.024322\n0.058027 0.034401 8.672655\nAl In Cu O\n1 1 1 4\ndirect\n0.584790 0.584788 0.584787 Al\n0.799717 0.799714 0.799714 In\n0.012489 0.012489 0.012489 Cu\n0.511727 0.511726 0.511725 O\n0.091557 0.091556 0.091556 O\n0.659486 0.659484 0.659483 O\n0.919904 0.919901 0.919901 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Al",
"In",
"Cu",
"O"
],
"chemical_system": "Al-Cu-In-O",
"density": 5.6148144840481224,
"density_atomic": 0.08787765059160405,
"volume": 79.65620328803817,
"volume_molar": 6.852869551539153,
"formula_full": "Al1 In1 Cu1 O4",
"formula_reduced": "AlInCuO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.4252981742857145,
"spacegroup": 160
},
{
"id": "jvasp-41398",
"created_at": "2022-09-04T14:38:28.313183Z",
"updated_at": "2022-09-04T14:38:28.313211Z",
"structure_string": "Fe6 Re2\n1.0\n2.546531 -4.410721 0.000000\n2.546531 4.410721 -0.000000\n0.000000 -0.000000 4.052505\nFe Re\n6 2\ndirect\n0.675796 0.837898 0.250000 Fe\n0.162101 0.837899 0.250000 Fe\n0.162101 0.324203 0.250000 Fe\n0.324203 0.162101 0.749999 Fe\n0.837899 0.162101 0.749999 Fe\n0.837898 0.675796 0.749999 Fe\n0.333333 0.666667 0.749999 Re\n0.666667 0.333333 0.250000 Re\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Fe",
"Re"
],
"chemical_system": "Fe-Re",
"density": 12.904869296575283,
"density_atomic": 0.08787753721100143,
"volume": 91.03577835586493,
"volume_molar": 6.85287839318975,
"formula_full": "Fe6 Re2",
"formula_reduced": "Fe3Re",
"formula_anonymous": "AB3",
"energy_above_hull": 4.285138625,
"spacegroup": 194
},
{
"id": "jvasp-44514",
"created_at": "2022-09-04T14:38:08.313995Z",
"updated_at": "2022-09-04T14:38:08.314011Z",
"structure_string": "Li2 Cr2 P2 O8\n1.0\n5.137466 0.117647 0.628830\n2.577566 4.211218 0.335613\n0.828927 0.040749 7.569978\nLi Cr P O\n2 2 2 8\ndirect\n0.342552 0.315678 0.834727 Li\n0.661514 0.667211 0.313214 Li\n0.046857 -0.039859 0.533113 Cr\n-0.017034 -0.024772 -0.020719 Cr\n0.298868 0.368322 0.239716 P\n0.681839 0.659794 0.727773 P\n0.767052 0.297890 0.763312 O\n0.064638 0.281182 0.351488 O\n0.173625 0.524848 0.062514 O\n0.627489 0.062568 0.186282 O\n-0.008238 0.649703 0.718422 O\n0.428206 0.879186 0.886115 O\n0.549596 0.798580 0.556747 O\n0.314476 0.609326 0.339795 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P",
"density": 3.2083885500633236,
"density_atomic": 0.0878766316796245,
"volume": 159.31425377158723,
"volume_molar": 6.852949009191851,
"formula_full": "Li2 Cr2 P2 O8",
"formula_reduced": "LiCrPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.644023842857144,
"spacegroup": 1
},
{
"id": "jvasp-9409",
"created_at": "2022-09-04T14:37:12.834370Z",
"updated_at": "2022-09-04T14:37:12.834381Z",
"structure_string": "Ca2 Ti2 O6\n1.0\n4.667980 -0.000000 -2.694622\n-1.555487 4.401194 -2.694622\n0.042869 0.060619 5.464822\nCa Ti O\n2 2 6\ndirect\n0.249999 0.749999 0.500000 Ca\n0.750000 0.250000 0.500000 Ca\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 -0.000000 Ti\n0.810749 0.310749 0.000000 O\n0.689250 0.810748 -0.000000 O\n0.310749 0.189251 -0.000000 O\n0.189250 0.689250 -0.000000 O\n0.250000 0.250000 0.500000 O\n0.749999 0.749999 0.500000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Ti",
"O"
],
"chemical_system": "Ca-O-Ti",
"density": 3.9673620464195376,
"density_atomic": 0.08787498270482333,
"volume": 113.79803093208592,
"volume_molar": 6.853077604838554,
"formula_full": "Ca2 Ti2 O6",
"formula_reduced": "CaTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5828518506666664,
"spacegroup": 140
}
]
}