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=-formula_anonymous&page=527",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=525",
"results": [
{
"id": "jvasp-36976",
"created_at": "2022-09-04T14:38:17.155869Z",
"updated_at": "2022-09-04T14:38:17.155884Z",
"structure_string": "Rb2 Sn2 F6\n1.0\n5.748575 -0.067522 3.062546\n1.808328 5.457163 3.062546\n-0.094674 -0.067523 6.512783\nRb Sn F\n2 2 6\ndirect\n0.876299 0.876300 0.876297 Rb\n0.123700 0.123701 0.123702 Rb\n0.636683 0.636683 0.636682 Sn\n0.363318 0.363319 0.363318 Sn\n0.955716 0.746168 0.473114 F\n0.746169 0.473114 0.955713 F\n0.473114 0.955714 0.746167 F\n0.044286 0.253834 0.526887 F\n0.526887 0.044286 0.253832 F\n0.253833 0.526885 0.044287 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Sn",
"F"
],
"chemical_system": "F-Rb-Sn",
"density": 4.179645420638044,
"density_atomic": 0.04818724013101481,
"volume": 207.5238169443053,
"volume_molar": 12.497376366910796,
"formula_full": "Rb2 Sn2 F6",
"formula_reduced": "RbSnF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-20955",
"created_at": "2022-09-04T14:38:07.150320Z",
"updated_at": "2022-09-04T14:38:07.150348Z",
"structure_string": "Ca8 Ti8 O24\n1.0\n0.000000 7.692849 0.002511\n7.666889 0.000000 0.000000\n0.000000 -0.142989 -7.691546\nCa Ti O\n8 8 24\ndirect\n0.723131 0.250000 0.767503 Ca\n0.276869 0.750000 0.232497 Ca\n0.232499 0.250000 0.776867 Ca\n0.767501 0.750000 0.223133 Ca\n0.732498 0.250000 0.276871 Ca\n0.267502 0.750000 0.723130 Ca\n0.223131 0.250000 0.267502 Ca\n0.776869 0.750000 0.732499 Ca\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n-0.000000 0.500000 0.500000 Ti\n-0.000000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.541643 0.958251 0.250423 O\n0.250419 0.041749 0.041641 O\n0.749581 0.541749 0.958360 O\n0.549832 0.250000 0.029742 O\n0.450168 0.750000 0.970258 O\n0.970259 0.250000 0.950170 O\n0.029741 0.750000 0.049830 O\n0.541643 0.541750 0.250423 O\n0.458357 0.041750 0.749578 O\n0.458357 0.458251 0.749578 O\n0.750423 0.458251 0.541641 O\n0.950169 0.750000 0.470260 O\n0.249577 0.541750 0.458359 O\n0.750423 0.041749 0.541641 O\n0.958357 0.458251 0.249577 O\n0.041642 0.958252 0.750424 O\n0.041642 0.541749 0.750424 O\n0.958357 0.041749 0.249577 O\n0.250419 0.458251 0.041641 O\n0.049831 0.250000 0.529741 O\n0.529743 0.750000 0.549831 O\n0.470257 0.250000 0.450169 O\n0.249577 0.958251 0.458359 O\n0.749581 0.958251 0.958360 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Ca",
"Ti",
"O"
],
"chemical_system": "Ca-O-Ti",
"density": 3.980880887125402,
"density_atomic": 0.0881744179162604,
"volume": 453.6463176653818,
"volume_molar": 6.82980495059151,
"formula_full": "Ca8 Ti8 O24",
"formula_reduced": "CaTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5786858506666666,
"spacegroup": 62
},
{
"id": "jvasp-109908",
"created_at": "2022-09-04T14:38:07.165001Z",
"updated_at": "2022-09-04T14:38:07.165023Z",
"structure_string": "Li2 Mn2 F6\n1.0\n4.993537 -0.004078 0.000000\n-4.101838 2.847868 0.000000\n-0.000000 -0.000000 7.058335\nLi Mn F\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.747886 0.252114 0.250000 Mn\n0.252114 0.747886 0.749999 Mn\n0.642086 0.357914 0.567610 F\n0.911275 0.088725 0.749999 F\n0.642086 0.357914 0.932389 F\n0.357914 0.642087 0.432389 F\n0.357914 0.642087 0.067610 F\n0.088726 0.911275 0.250000 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.9377454859787635,
"density_atomic": 0.09974261324122596,
"volume": 100.25805094774442,
"volume_molar": 6.037680951305683,
"formula_full": "Li2 Mn2 F6",
"formula_reduced": "LiMnF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.4177316177758621,
"spacegroup": 63
},
{
"id": "jvasp-46266",
"created_at": "2022-09-04T14:38:04.508378Z",
"updated_at": "2022-09-04T14:38:04.508388Z",
"structure_string": "Sc4 V4 O12\n1.0\n5.048247 0.000000 0.000000\n0.000000 5.434162 0.000000\n0.000000 0.000000 7.506109\nSc V O\n4 4 12\ndirect\n0.975253 0.072393 0.250000 Sc\n0.475253 0.427607 0.750000 Sc\n0.524748 0.572393 0.250000 Sc\n0.024747 0.927606 0.750000 Sc\n0.500000 0.000000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.000000 V\n0.000000 0.500000 0.500000 V\n0.817054 0.809758 0.070735 O\n0.317054 0.690242 0.929265 O\n0.317054 0.690242 0.570735 O\n0.857792 0.563516 0.750000 O\n0.142209 0.436483 0.250000 O\n0.182946 0.190242 0.570735 O\n0.682946 0.309758 0.070735 O\n0.182946 0.190242 0.929265 O\n0.817054 0.809758 0.429265 O\n0.642209 0.063517 0.750000 O\n0.682946 0.309758 0.429265 O\n0.357792 0.936483 0.250000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sc",
"V",
"O"
],
"chemical_system": "O-Sc-V",
"density": 4.641609449590327,
"density_atomic": 0.09712744217675949,
"volume": 205.9150282533186,
"volume_molar": 6.200246423704308,
"formula_full": "Sc4 V4 O12",
"formula_reduced": "ScVO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.40285799,
"spacegroup": 62
},
{
"id": "jvasp-17328",
"created_at": "2022-09-04T14:38:12.474137Z",
"updated_at": "2022-09-04T14:38:12.474162Z",
"structure_string": "Mn3 Zn1 N1\n1.0\n3.786270 -0.000000 0.000000\n-0.000000 3.786270 0.000000\n0.000000 -0.000000 3.786270\nMn Zn N\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mn",
"Zn",
"N"
],
"chemical_system": "Mn-N-Zn",
"density": 7.47159069095792,
"density_atomic": 0.09211604073188592,
"volume": 54.27936285877789,
"volume_molar": 6.537559269973529,
"formula_full": "Mn3 Zn1 N1",
"formula_reduced": "Mn3ZnN",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.423503074827586,
"spacegroup": 221
},
{
"id": "jvasp-37883",
"created_at": "2022-09-04T14:38:07.370693Z",
"updated_at": "2022-09-04T14:38:07.370709Z",
"structure_string": "Ca1 B1 O3\n1.0\n3.468591 0.000000 -0.000000\n0.000000 3.468591 -0.000000\n0.000000 0.000000 3.468591\nCa B O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 B\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"B",
"O"
],
"chemical_system": "B-Ca-O",
"density": 3.9348655607328804,
"density_atomic": 0.11981487132105405,
"volume": 41.731046779677946,
"volume_molar": 5.0262047553873055,
"formula_full": "Ca1 B1 O3",
"formula_reduced": "CaBO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.0300247006666665,
"spacegroup": 221
},
{
"id": "jvasp-34705",
"created_at": "2022-09-04T14:38:12.043868Z",
"updated_at": "2022-09-04T14:38:12.043898Z",
"structure_string": "Cr2 Bi2 O6\n1.0\n4.803776 -0.004225 2.725422\n1.585265 4.534690 2.725425\n-0.005963 -0.004227 5.523103\nCr Bi O\n2 2 6\ndirect\n0.229658 0.229656 0.229661 Cr\n0.729659 0.729657 0.729657 Cr\n0.500312 0.500307 0.500308 Bi\n0.000307 0.000306 0.000314 Bi\n0.404883 0.547336 0.950814 O\n0.047336 0.904879 0.450817 O\n0.904884 0.450812 0.047333 O\n0.450821 0.047333 0.904885 O\n0.950813 0.404883 0.547332 O\n0.547333 0.950821 0.404883 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cr",
"Bi",
"O"
],
"chemical_system": "Bi-Cr-O",
"density": 8.518344572137979,
"density_atomic": 0.08301435372107265,
"volume": 120.46109560281461,
"volume_molar": 7.254336738239666,
"formula_full": "Cr2 Bi2 O6",
"formula_reduced": "CrBiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.40375044,
"spacegroup": 161
},
{
"id": "jvasp-44226",
"created_at": "2022-09-04T14:38:11.200326Z",
"updated_at": "2022-09-04T14:38:11.200346Z",
"structure_string": "V2 O2 F6\n1.0\n0.000000 4.921653 0.350057\n5.545491 0.000000 0.000000\n0.000000 -2.796767 -4.804546\nV O F\n2 2 6\ndirect\n0.000014 0.275468 0.058115 V\n0.000014 0.724532 0.558116 V\n0.000111 0.522200 0.771154 O\n0.000111 0.477800 0.271154 O\n-0.000140 0.000746 0.722351 F\n0.583951 0.252546 0.766224 F\n-0.000140 0.999254 0.222351 F\n0.416065 0.747722 0.682156 F\n0.583951 0.747454 0.266224 F\n0.416065 0.252277 0.182155 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.2744437273853855,
"density_atomic": 0.07955373582191408,
"volume": 125.70119927976246,
"volume_molar": 7.569903157635403,
"formula_full": "V2 O2 F6",
"formula_reduced": "VOF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.8029637094999998,
"spacegroup": 39
},
{
"id": "jvasp-17978",
"created_at": "2022-09-04T14:38:12.056471Z",
"updated_at": "2022-09-04T14:38:12.056503Z",
"structure_string": "Pr3 In1 O1\n1.0\n5.015747 0.000000 0.000000\n-0.000000 5.015747 0.000000\n0.000000 -0.000000 5.015747\nPr In O\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n0.000000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pr",
"In",
"O"
],
"chemical_system": "In-O-Pr",
"density": 7.284361918442035,
"density_atomic": 0.03962444005644866,
"volume": 126.18474842488726,
"volume_molar": 15.198046335597189,
"formula_full": "Pr3 In1 O1",
"formula_reduced": "Pr3InO",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.1932026039999997,
"spacegroup": 221
},
{
"id": "jvasp-36905",
"created_at": "2022-09-04T14:38:07.262450Z",
"updated_at": "2022-09-04T14:38:07.262474Z",
"structure_string": "Rb2 Se2 Br6\n1.0\n0.000000 5.222755 0.037024\n8.601482 0.000000 0.000000\n0.000000 -0.891644 -7.603353\nRb Se Br\n2 2 6\ndirect\n0.214247 0.750000 0.659952 Rb\n0.785755 0.250000 0.340048 Rb\n0.000000 0.500000 0.000000 Se\n0.000000 0.000000 0.000000 Se\n0.283039 0.507079 0.307806 Br\n0.716963 0.007079 0.692194 Br\n0.283039 -0.007079 0.307806 Br\n0.716963 0.492920 0.692194 Br\n0.747202 0.750000 0.086755 Br\n0.252800 0.250000 0.913246 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Se",
"Br"
],
"chemical_system": "Br-Rb-Se",
"density": 3.9327271139616204,
"density_atomic": 0.02930104416730291,
"volume": 341.2847659251345,
"volume_molar": 20.552648996448116,
"formula_full": "Rb2 Se2 Br6",
"formula_reduced": "RbSeBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 11
},
{
"id": "jvasp-111395",
"created_at": "2022-09-04T14:38:26.268885Z",
"updated_at": "2022-09-04T14:38:26.268905Z",
"structure_string": "Sm1 Co1 O3\n1.0\n3.760178 0.000000 0.000000\n0.000000 3.760178 0.000000\n0.000000 -0.000000 3.760178\nSm Co O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 -0.000000 O\n-0.000000 0.500000 -0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sm",
"Co",
"O"
],
"chemical_system": "Co-O-Sm",
"density": 8.036170580149811,
"density_atomic": 0.09404696651778285,
"volume": 53.16492583580116,
"volume_molar": 6.403333337563104,
"formula_full": "Sm1 Co1 O3",
"formula_reduced": "SmCoO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.095140055,
"spacegroup": 221
},
{
"id": "jvasp-112297",
"created_at": "2022-09-04T14:38:26.860665Z",
"updated_at": "2022-09-04T14:38:26.860688Z",
"structure_string": "Nd4 B4 S12\n1.0\n6.022498 -0.000000 0.000000\n0.000000 7.536234 0.000000\n-0.000000 -0.000000 8.938830\nNd B S\n4 4 12\ndirect\n0.930713 0.385902 0.257670 Nd\n0.069287 0.614098 0.757670 Nd\n0.430713 0.114098 0.757670 Nd\n0.569287 0.885901 0.257670 Nd\n0.097350 0.854992 0.428586 B\n0.902651 0.145008 0.928586 B\n0.597350 0.645008 0.928586 B\n0.402651 0.354992 0.428586 B\n0.635654 0.204108 0.460052 S\n0.364346 0.795891 0.960051 S\n0.663387 0.174736 0.051796 S\n0.336613 0.825263 0.551796 S\n0.163387 0.325264 0.551796 S\n0.400099 0.501071 0.267976 S\n0.900099 0.998928 0.767976 S\n0.099901 0.001071 0.267976 S\n0.864346 0.704108 0.460052 S\n0.599901 0.498928 0.767976 S\n0.836613 0.674736 0.051796 S\n0.135654 0.295891 0.960051 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Nd",
"B",
"S"
],
"chemical_system": "B-Nd-S",
"density": 4.113390919240315,
"density_atomic": 0.04929674887985465,
"volume": 405.7062677448308,
"volume_molar": 12.216101257868095,
"formula_full": "Nd4 B4 S12",
"formula_reduced": "NdBS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.2333808166666667,
"spacegroup": 33
}
]
}