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=nsites&page=3586",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3584",
"results": [
{
"id": "jvasp-59907",
"created_at": "2022-09-04T14:37:08.975200Z",
"updated_at": "2022-09-04T14:37:08.975210Z",
"structure_string": "Ca2 Fe4 S8\n1.0\n6.882369 0.019978 0.012223\n3.423647 6.135918 0.017815\n3.425714 1.857738 5.846611\nCa Fe S\n2 4 8\ndirect\n0.999992 0.000015 0.000000 Ca\n0.000006 0.500004 0.499981 Ca\n0.499985 -0.000006 0.499999 Fe\n0.500006 0.000004 0.999980 Fe\n0.000026 0.999992 0.499998 Fe\n0.499995 0.500009 0.499999 Fe\n0.270483 0.760133 0.698910 S\n0.698947 0.761967 0.261951 S\n0.270492 0.198876 0.260143 S\n0.722910 0.238014 0.737998 S\n0.729526 0.801133 0.739819 S\n0.301048 0.238042 0.738028 S\n0.277109 0.761990 0.261978 S\n0.729512 0.239840 0.301134 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Fe",
"S"
],
"chemical_system": "Ca-Fe-S",
"density": 3.779012010745043,
"density_atomic": 0.05688866680907376,
"volume": 246.09471069142714,
"volume_molar": 10.585835629108939,
"formula_full": "Ca2 Fe4 S8",
"formula_reduced": "Ca(FeS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.1622359171428567,
"spacegroup": 74
},
{
"id": "jvasp-47449",
"created_at": "2022-09-04T14:37:01.290268Z",
"updated_at": "2022-09-04T14:37:01.290299Z",
"structure_string": "Li2 Mn2 Si2 O8\n1.0\n-4.316848 3.932867 0.090502\n4.316848 0.090502 3.932867\n4.316848 3.932867 0.090502\nLi Mn Si O\n2 2 2 8\ndirect\n0.991897 -0.000001 0.008104 Li\n0.258103 0.500000 0.241897 Li\n0.625000 0.249999 0.625001 Mn\n0.125000 0.750000 0.625000 Mn\n0.625000 0.250000 0.125000 Si\n0.625000 0.750000 0.625001 Si\n0.838297 0.211121 0.372825 O\n0.838149 0.736387 0.425465 O\n0.411852 0.236386 0.351761 O\n0.838149 0.263613 0.898240 O\n0.411703 0.288878 0.877176 O\n0.833947 0.711121 0.877176 O\n0.416053 0.788879 0.372825 O\n0.411851 0.763613 0.824536 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Si",
"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 3.8309617026332745,
"density_atomic": 0.10489210473899076,
"volume": 133.47048412115507,
"volume_molar": 5.741271733449577,
"formula_full": "Li2 Mn2 Si2 O8",
"formula_reduced": "LiMnSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.5528699773399017,
"spacegroup": 74
},
{
"id": "jvasp-10094",
"created_at": "2022-09-04T14:37:10.606530Z",
"updated_at": "2022-09-04T14:37:10.606554Z",
"structure_string": "Sr6 Ga2 N6\n1.0\n3.790506 -6.565349 0.000000\n3.790506 6.565349 -0.000000\n-0.000000 -0.000000 5.418132\nSr Ga N\n6 2 6\ndirect\n0.284492 0.357452 0.250000 Sr\n0.357451 0.072961 0.750000 Sr\n0.927040 0.284492 0.750000 Sr\n0.072961 0.715509 0.250000 Sr\n0.642550 0.927040 0.250000 Sr\n0.715509 0.642550 0.750000 Sr\n0.333334 0.666668 0.750000 Ga\n0.666668 0.333334 0.250000 Ga\n0.400142 0.092992 0.250000 N\n0.092992 0.692851 0.750000 N\n0.307150 0.400142 0.750000 N\n0.692851 0.599859 0.250000 N\n0.907009 0.307151 0.250000 N\n0.599859 0.907009 0.750000 N\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sr",
"Ga",
"N"
],
"chemical_system": "Ga-N-Sr",
"density": 4.613344402837809,
"density_atomic": 0.05191507108321809,
"volume": 269.6712093017936,
"volume_molar": 11.599985580963017,
"formula_full": "Sr6 Ga2 N6",
"formula_reduced": "Sr3GaN3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.0550701435714287,
"spacegroup": 176
},
{
"id": "jvasp-10035",
"created_at": "2022-09-04T14:37:10.608990Z",
"updated_at": "2022-09-04T14:37:10.609016Z",
"structure_string": "Ca2 Sn4 O8\n1.0\n6.725559 -0.445791 -0.079236\n2.976713 6.047399 -0.079236\n3.169394 1.829851 5.175599\nCa Sn O\n2 4 8\ndirect\n0.125000 0.625000 0.625000 Ca\n0.625000 0.125000 0.625000 Ca\n0.004883 0.004884 0.995116 Sn\n0.245116 0.245116 0.254884 Sn\n0.625000 0.625001 0.124999 Sn\n0.625000 0.625000 0.624999 Sn\n0.394568 0.394568 0.363732 O\n0.437536 0.808724 0.376869 O\n0.394567 0.394568 0.847134 O\n0.808724 0.437537 0.376869 O\n0.441276 0.812464 0.873129 O\n0.812463 0.441277 0.873129 O\n0.855432 0.855433 0.402865 O\n0.855432 0.855433 0.886266 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"O"
],
"chemical_system": "Ca-O-Sn",
"density": 5.165840256472336,
"density_atomic": 0.0637682945994946,
"volume": 219.54483945240963,
"volume_molar": 9.443785187957229,
"formula_full": "Ca2 Sn4 O8",
"formula_reduced": "Ca(SnO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.346576523809524,
"spacegroup": 74
},
{
"id": "jvasp-34560",
"created_at": "2022-09-04T14:37:01.233985Z",
"updated_at": "2022-09-04T14:37:01.234010Z",
"structure_string": "Zn4 Si2 O8\n1.0\n5.705440 -0.008154 -1.779644\n-3.089279 4.796714 -1.779644\n0.004455 0.008154 5.976551\nZn Si O\n4 2 8\ndirect\n0.375000 0.278969 0.403970 Zn\n0.875000 0.971030 0.596032 Zn\n0.721031 0.125000 0.096032 Zn\n0.028969 0.624999 0.903969 Zn\n0.500000 0.500000 0.000001 Si\n0.250000 0.749999 0.500000 Si\n0.091385 0.800761 0.676283 O\n0.584898 0.908614 0.709378 O\n0.658615 0.834897 0.209378 O\n0.550762 0.341385 0.176283 O\n0.165103 0.374478 0.823717 O\n0.199238 0.875520 0.290623 O\n0.124479 0.415102 0.323718 O\n0.625521 0.449238 0.790624 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Si",
"O"
],
"chemical_system": "O-Si-Zn",
"density": 4.525509039867051,
"density_atomic": 0.08558628342661828,
"volume": 163.57761360210958,
"volume_molar": 7.036338673548532,
"formula_full": "Zn4 Si2 O8",
"formula_reduced": "Zn2SiO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.257081914285714,
"spacegroup": 122
},
{
"id": "jvasp-9191",
"created_at": "2022-09-04T14:37:08.299888Z",
"updated_at": "2022-09-04T14:37:08.299918Z",
"structure_string": "Ba2 Mn3 Al1 O8\n1.0\n3.850171 -0.000000 -0.000000\n0.000000 3.850171 0.000000\n-0.000000 -0.000000 11.539298\nBa Mn Al O\n2 3 1 8\ndirect\n0.500000 0.500000 0.171374 Ba\n0.500000 0.500000 0.828606 Ba\n0.000000 0.000000 0.353741 Mn\n0.000000 0.000000 -0.000015 Mn\n0.000000 0.000000 0.646264 Mn\n0.500000 0.500000 0.499994 Al\n0.000000 0.500000 0.392869 O\n0.500000 0.000000 0.392869 O\n0.500000 0.000000 -0.000006 O\n0.000000 0.000000 0.183316 O\n0.000000 0.500000 0.607156 O\n0.500000 0.000000 0.607156 O\n0.000000 0.000000 0.816686 O\n0.000000 0.500000 -0.000006 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Mn",
"Al",
"O"
],
"chemical_system": "Al-Ba-Mn-O",
"density": 5.7706038009816005,
"density_atomic": 0.08184433221832092,
"volume": 171.05643873609722,
"volume_molar": 7.358042514093529,
"formula_full": "Ba2 Mn3 Al1 O8",
"formula_reduced": "Ba2Mn3AlO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.771289604581281,
"spacegroup": 123
},
{
"id": "jvasp-11793",
"created_at": "2022-09-04T14:37:04.205931Z",
"updated_at": "2022-09-04T14:37:04.205962Z",
"structure_string": "K4 Mn4 O6\n1.0\n0.000000 6.013595 -0.001336\n6.418357 0.000000 0.000000\n0.000000 -2.733185 -5.856814\nK Mn O\n4 4 6\ndirect\n0.816592 0.361418 0.072760 K\n0.816592 0.138582 0.572760 K\n0.183408 0.638582 0.927240 K\n0.183408 0.861418 0.427240 K\n0.331222 0.119552 0.071595 Mn\n0.331222 0.380448 0.571594 Mn\n0.668778 0.880448 0.928405 Mn\n0.668778 0.619553 0.428406 Mn\n0.000000 0.500000 0.500000 O\n0.588406 0.627488 0.713994 O\n0.411595 0.127488 0.786006 O\n0.411594 0.372512 0.286006 O\n0.000000 0.000000 0.000000 O\n0.588405 0.872512 0.213994 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"K",
"Mn",
"O"
],
"chemical_system": "K-Mn-O",
"density": 3.46782384865378,
"density_atomic": 0.06192464622930203,
"volume": 226.08122698285777,
"volume_molar": 9.724949800601996,
"formula_full": "K4 Mn4 O6",
"formula_reduced": "K2Mn2O3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 2.0525687118226603,
"spacegroup": 14
},
{
"id": "jvasp-9311",
"created_at": "2022-09-04T14:37:08.453070Z",
"updated_at": "2022-09-04T14:37:08.453081Z",
"structure_string": "Ba1 Ca1 Sn4 O8\n1.0\n3.051928 -5.286094 -0.000000\n3.051928 5.286094 -0.000000\n-0.000000 0.000000 7.036662\nBa Ca Sn O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.333333 0.666667 0.713297 Sn\n0.666667 0.333333 0.713297 Sn\n0.333333 0.666667 0.286703 Sn\n0.666667 0.333333 0.286703 Sn\n0.304074 0.304074 0.707072 O\n0.695926 0.000000 0.707072 O\n0.000000 0.695926 0.707072 O\n0.695926 0.695926 0.292927 O\n0.000000 0.304074 0.292927 O\n0.304074 0.000000 0.292927 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Ca",
"Sn",
"O"
],
"chemical_system": "Ba-Ca-O-Sn",
"density": 5.706522952101224,
"density_atomic": 0.061662649875564475,
"volume": 227.04181588452764,
"volume_molar": 9.766269811875926,
"formula_full": "Ba1 Ca1 Sn4 O8",
"formula_reduced": "BaCa(SnO2)4",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 1.651950799285714,
"spacegroup": 162
},
{
"id": "jvasp-50439",
"created_at": "2022-09-04T14:37:08.460116Z",
"updated_at": "2022-09-04T14:37:08.460143Z",
"structure_string": "Al4 Hg2 O8\n1.0\n0.000000 4.270181 4.270181\n-4.270289 4.270181 0.000000\n-0.000000 -4.270181 4.270181\nAl Hg O\n4 2 8\ndirect\n0.375000 0.750000 0.375000 Al\n0.875000 0.750000 0.375000 Al\n0.375000 0.250000 0.875000 Al\n0.375000 0.250000 0.375000 Al\n0.750000 0.500000 0.750000 Hg\n0.000000 0.000000 0.000000 Hg\n0.602491 0.795018 0.602497 O\n0.602491 0.795018 0.192521 O\n0.147509 0.704982 0.147503 O\n0.147509 0.704982 0.557480 O\n0.557479 0.295018 0.147509 O\n0.147503 0.295018 0.147509 O\n0.602497 0.204982 0.602491 O\n0.192520 0.204982 0.602491 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"Hg",
"O"
],
"chemical_system": "Al-Hg-O",
"density": 6.79325308574738,
"density_atomic": 0.08989762216825972,
"volume": 155.7327064090356,
"volume_molar": 6.69888770664976,
"formula_full": "Al4 Hg2 O8",
"formula_reduced": "Al2HgO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.5123020285714286,
"spacegroup": 227
},
{
"id": "jvasp-12520",
"created_at": "2022-09-04T14:37:05.772700Z",
"updated_at": "2022-09-04T14:37:05.772719Z",
"structure_string": "Li5 Cr1 Cl8\n1.0\n6.186708 0.004839 0.000000\n-2.036026 5.842087 0.000000\n0.000000 0.000000 7.195000\nLi Cr Cl\n5 1 8\ndirect\n0.500000 0.000000 0.233235 Li\n-0.000000 0.500000 0.766765 Li\n0.500000 0.000000 0.766765 Li\n-0.000000 0.500000 0.233235 Li\n0.500000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Cr\n0.266774 0.266774 0.267883 Cl\n0.733226 0.733227 0.267883 Cl\n0.265434 0.734566 0.500000 Cl\n0.266774 0.266774 0.732117 Cl\n0.733226 0.733227 0.732117 Cl\n0.250471 0.749529 0.000000 Cl\n0.734566 0.265435 0.500000 Cl\n0.749529 0.250472 0.000000 Cl\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Cr",
"Cl"
],
"chemical_system": "Cl-Cr-Li",
"density": 2.364043374471263,
"density_atomic": 0.053820933974563646,
"volume": 260.12183301420504,
"volume_molar": 11.189216379719698,
"formula_full": "Li5 Cr1 Cl8",
"formula_reduced": "Li5CrCl8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 0.676523567142857,
"spacegroup": 65
},
{
"id": "jvasp-11599",
"created_at": "2022-09-04T14:37:06.333004Z",
"updated_at": "2022-09-04T14:37:06.333030Z",
"structure_string": "Al4 Cu2 O8\n1.0\n4.991425 0.000000 2.881800\n1.663808 4.705960 2.881800\n0.000000 0.000000 5.763602\nAl Cu O\n4 2 8\ndirect\n0.500000 -0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.125000 0.125000 0.125000 Cu\n0.874999 0.875000 0.875000 Cu\n0.735331 0.735331 0.735331 O\n0.264669 0.264669 0.705993 O\n0.264669 0.705993 0.264669 O\n0.705992 0.264669 0.264669 O\n0.735331 0.294007 0.735331 O\n0.294007 0.735331 0.735331 O\n0.264669 0.264669 0.264669 O\n0.735331 0.735331 0.294007 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"Cu",
"O"
],
"chemical_system": "Al-Cu-O",
"density": 4.452510320254815,
"density_atomic": 0.1034096982809808,
"volume": 135.38382020958755,
"volume_molar": 5.8235744423476365,
"formula_full": "Al4 Cu2 O8",
"formula_reduced": "Al2CuO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.6946100071428571,
"spacegroup": 227
},
{
"id": "jvasp-50619",
"created_at": "2022-09-04T14:37:03.454838Z",
"updated_at": "2022-09-04T14:37:03.454849Z",
"structure_string": "Li4 Fe4 S6\n1.0\n0.000000 6.071346 0.045892\n6.170311 0.000000 0.000000\n0.000000 -3.021808 -6.601425\nLi Fe S\n4 4 6\ndirect\n0.765607 0.395074 0.358744 Li\n0.734394 0.895074 0.641256 Li\n0.265606 0.104926 0.358744 Li\n0.234393 0.604926 0.641255 Li\n0.147742 0.640178 0.021732 Fe\n0.647743 0.859821 0.021732 Fe\n0.352258 0.140178 0.978268 Fe\n0.852258 0.359822 0.978268 Fe\n0.500000 0.500000 0.000000 S\n0.000000 0.000000 0.000000 S\n0.638991 0.020014 0.303199 S\n0.861010 0.520014 0.696801 S\n0.138990 0.479986 0.303198 S\n0.361009 0.979986 0.696801 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Fe",
"S"
],
"chemical_system": "Fe-Li-S",
"density": 2.9884883382746983,
"density_atomic": 0.05680722653618302,
"volume": 246.44751827626695,
"volume_molar": 10.60101175008823,
"formula_full": "Li4 Fe4 S6",
"formula_reduced": "Li2Fe2S3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 2.1744501428571423,
"spacegroup": 14
}
]
}