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&page=1572",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1570",
"results": [
{
"id": "jvasp-11052",
"created_at": "2022-09-04T14:37:34.696828Z",
"updated_at": "2022-09-04T14:37:34.696859Z",
"structure_string": "Ca1 Mn2 F10\n1.0\n5.053650 0.056367 -1.984187\n-2.035547 4.990701 -0.654987\n-0.269807 -0.056165 7.455273\nCa Mn F\n1 2 10\ndirect\n0.288789 0.538789 0.749999 Ca\n-0.000338 0.008406 0.007797 Mn\n0.500608 0.991865 0.492202 Mn\n0.331021 0.081022 0.250000 F\n0.669566 0.919567 0.749999 F\n0.549110 0.724334 0.374308 F\n0.850024 0.174803 0.125691 F\n0.786703 0.692707 0.022292 F\n0.170413 0.764411 0.477707 F\n0.186182 0.316504 0.965277 F\n0.851226 0.220905 0.534721 F\n0.150369 0.836251 0.876102 F\n0.460148 0.274266 0.623896 F\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"F"
],
"chemical_system": "Ca-F-Mn",
"density": 3.037908933146891,
"density_atomic": 0.06996311459040346,
"volume": 185.81219655682904,
"volume_molar": 8.607593866077014,
"formula_full": "Ca1 Mn2 F10",
"formula_reduced": "CaMn2F10",
"formula_anonymous": "AB2C10",
"energy_above_hull": 0.4081298252122015,
"spacegroup": 5
},
{
"id": "jvasp-92942",
"created_at": "2022-09-04T14:35:55.158304Z",
"updated_at": "2022-09-04T14:35:55.158329Z",
"structure_string": "Mg6 Ga1 Bi1\n1.0\n6.543127 -0.196906 0.000000\n-3.442089 5.568061 0.000000\n0.000000 0.000000 5.196778\nMg Ga Bi\n6 1 1\ndirect\n0.163420 0.828182 0.250000 Mg\n0.671817 0.336579 0.250000 Mg\n0.670462 0.829537 0.250000 Mg\n0.337408 0.652156 0.750000 Mg\n0.847843 0.162592 0.750000 Mg\n0.831093 0.668907 0.750000 Mg\n0.133277 0.366723 0.250000 Ga\n0.344681 0.155319 0.750000 Bi\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Ga",
"Bi"
],
"chemical_system": "Bi-Ga-Mg",
"density": 3.7939613437754947,
"density_atomic": 0.043054834805667554,
"volume": 185.80956206448886,
"volume_molar": 13.98714171632885,
"formula_full": "Mg6 Ga1 Bi1",
"formula_reduced": "Mg6GaBi",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-65196",
"created_at": "2022-09-04T14:36:00.473091Z",
"updated_at": "2022-09-04T14:36:00.473116Z",
"structure_string": "Ca4 Ti1 Be1\n1.0\n-0.000000 4.529073 4.529073\n4.529073 -0.000000 4.529073\n4.529073 4.529073 0.000000\nCa Ti Be\n4 1 1\ndirect\n0.125452 0.624849 0.624849 Ca\n0.624849 0.624849 0.624849 Ca\n0.624849 0.125452 0.624849 Ca\n0.624849 0.624849 0.125452 Ca\n0.250000 0.250000 0.250000 Ti\n0.000000 0.000000 0.000000 Be\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Ti",
"Be"
],
"chemical_system": "Be-Ca-Ti",
"density": 1.941034829911846,
"density_atomic": 0.03229187721764319,
"volume": 185.80524010916906,
"volume_molar": 18.64908849805023,
"formula_full": "Ca4 Ti1 Be1",
"formula_reduced": "Ca4TiBe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.8820143522222224,
"spacegroup": 216
},
{
"id": "jvasp-90775",
"created_at": "2022-09-04T14:36:08.566659Z",
"updated_at": "2022-09-04T14:36:08.566692Z",
"structure_string": "Zr4 Sn4\n1.0\n6.381750 0.000000 0.000000\n-3.190875 5.526757 0.000000\n-0.000000 0.000000 5.267699\nZr Sn\n4 4\ndirect\n0.999989 0.499995 0.000000 Zr\n0.500005 0.499995 0.000000 Zr\n0.500005 0.000011 0.000000 Zr\n0.333333 0.666667 0.500000 Zr\n0.000000 0.000000 0.000000 Sn\n0.340421 0.170211 0.500000 Sn\n0.829789 0.170211 0.500000 Sn\n0.829789 0.659579 0.500000 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Sn"
],
"chemical_system": "Sn-Zr",
"density": 7.505173930970187,
"density_atomic": 0.04305849824821533,
"volume": 185.79375327683613,
"volume_molar": 13.985951682022732,
"formula_full": "Zr4 Sn4",
"formula_reduced": "ZrSn",
"formula_anonymous": "AB",
"energy_above_hull": 1.4833731,
"spacegroup": 187
},
{
"id": "jvasp-7130",
"created_at": "2022-09-04T14:38:32.447240Z",
"updated_at": "2022-09-04T14:38:32.447260Z",
"structure_string": "H6 Pb1 C1 N1 Cl3\n1.0\n5.701355 0.000051 0.120204\n0.000049 5.643609 -0.000216\n0.122026 -0.000209 5.776681\nH Pb C N Cl\n6 1 1 1 3\ndirect\n0.940255 0.999896 0.757797 H\n0.803901 0.159785 -0.003676 H\n0.803866 0.840148 -0.003628 H\n0.229469 0.149702 0.020825 H\n0.229446 0.850152 0.020858 H\n0.106812 0.999979 0.243247 H\n0.482234 0.499940 0.492520 Pb\n0.902437 -0.000057 0.945299 C\n0.129912 0.999944 0.064517 N\n0.434063 0.499941 0.987086 Cl\n0.440049 0.999939 0.529559 Cl\n0.975535 0.499930 0.441377 Cl\n",
"nsites": 12,
"nelements": 5,
"elements": [
"H",
"Pb",
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-H-N-Pb",
"density": 3.0891081695456157,
"density_atomic": 0.06458941071216617,
"volume": 185.7889686202023,
"volume_molar": 9.32372767238401,
"formula_full": "H6 Pb1 C1 N1 Cl3",
"formula_reduced": "H6PbCNCl3",
"formula_anonymous": "ABCD3E6",
"energy_above_hull": 2.7128521893749995,
"spacegroup": 6
},
{
"id": "jvasp-107017",
"created_at": "2022-09-04T14:36:54.980671Z",
"updated_at": "2022-09-04T14:36:54.980690Z",
"structure_string": "Zr2 Se3 S3\n1.0\n3.719075 -0.000000 0.000000\n0.000000 5.332101 0.617936\n0.000000 0.080490 9.377694\nZr Se S\n2 3 3\ndirect\n0.500001 0.715942 0.660484 Zr\n-0.000000 0.283359 0.336794 Zr\n-0.000000 0.465626 0.843798 Se\n0.500001 0.237751 0.555172 Se\n-0.000000 0.760833 0.441510 Se\n0.500001 0.127952 0.169132 S\n-0.000000 0.890399 0.818126 S\n0.500001 0.518138 0.174983 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Se",
"S"
],
"chemical_system": "S-Se-Zr",
"density": 4.607867570712149,
"density_atomic": 0.043061864745289516,
"volume": 185.7792282642639,
"volume_molar": 13.984858286144597,
"formula_full": "Zr2 Se3 S3",
"formula_reduced": "Zr2(SeS)3",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 2.5395423875,
"spacegroup": 6
},
{
"id": "jvasp-100807",
"created_at": "2022-09-04T14:37:06.108290Z",
"updated_at": "2022-09-04T14:37:06.108311Z",
"structure_string": "Sr2 Cd2 Pb2\n1.0\n5.159113 0.061716 3.931627\n2.618769 4.445481 3.931627\n-0.074977 -0.043448 8.081898\nSr Cd Pb\n2 2 2\ndirect\n0.456041 0.456042 0.797100 Sr\n0.543957 0.543958 0.202902 Sr\n0.848042 0.848043 0.596241 Cd\n0.151957 0.151958 0.403760 Cd\n0.168506 0.168506 0.780525 Pb\n0.831493 0.831494 0.219476 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"Cd",
"Pb"
],
"chemical_system": "Cd-Pb-Sr",
"density": 7.279973477592637,
"density_atomic": 0.03229692117713049,
"volume": 185.77622204585282,
"volume_molar": 18.64617598368568,
"formula_full": "Sr2 Cd2 Pb2",
"formula_reduced": "SrCdPb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-34257",
"created_at": "2022-09-04T14:37:10.596923Z",
"updated_at": "2022-09-04T14:37:10.596956Z",
"structure_string": "Rb4 C1 O4\n1.0\n5.773241 -0.502534 -0.646891\n-0.742920 5.559844 -2.062150\n-0.340970 -0.152445 5.964539\nRb C O\n4 1 4\ndirect\n0.097205 0.835705 0.835704 Rb\n0.767851 0.194221 0.659069 Rb\n0.311115 0.391227 0.391225 Rb\n0.767858 0.659061 0.194221 Rb\n0.600670 0.042712 0.042711 C\n0.597011 0.828027 0.828022 O\n0.845118 0.171915 0.171920 O\n0.479938 0.203609 0.966960 O\n0.479943 0.966966 0.203610 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"C",
"O"
],
"chemical_system": "C-O-Rb",
"density": 3.7355533911154692,
"density_atomic": 0.04845039182589755,
"volume": 185.7570116737291,
"volume_molar": 12.42949857173511,
"formula_full": "Rb4 C1 O4",
"formula_reduced": "Rb4CO4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 1.412938222222222,
"spacegroup": 8
},
{
"id": "jvasp-16476",
"created_at": "2022-09-04T14:37:38.595891Z",
"updated_at": "2022-09-04T14:37:38.595917Z",
"structure_string": "Ho2 Cd6\n1.0\n4.852353 0.000000 -0.000000\n0.000000 5.928345 -2.606878\n-0.000000 -0.042848 6.476052\nHo Cd\n2 6\ndirect\n0.750000 0.362872 0.637127 Ho\n0.250000 0.637127 0.362872 Ho\n0.750000 0.824350 0.175648 Cd\n0.250000 0.175648 0.824351 Cd\n0.750000 0.312919 0.125568 Cd\n0.250000 0.687080 0.874430 Cd\n0.250000 0.125569 0.312919 Cd\n0.750000 0.874430 0.687080 Cd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ho",
"Cd"
],
"chemical_system": "Cd-Ho",
"density": 8.97828289905995,
"density_atomic": 0.043068445078724434,
"volume": 185.7508434626992,
"volume_molar": 13.982721570263756,
"formula_full": "Ho2 Cd6",
"formula_reduced": "HoCd3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-42434",
"created_at": "2022-09-04T14:37:29.956739Z",
"updated_at": "2022-09-04T14:37:29.956763Z",
"structure_string": "Li6 Fe4 O12\n1.0\n4.798278 0.000000 0.000000\n0.000000 4.788004 0.000000\n0.000000 0.000000 8.085022\nLi Fe O\n6 4 12\ndirect\n0.000000 0.500000 0.773313 Li\n0.000000 0.500000 0.066122 Li\n0.000000 0.000000 0.719132 Li\n0.500000 0.500000 0.219132 Li\n0.500000 0.000000 0.273313 Li\n0.500000 0.000000 0.566122 Li\n0.000000 0.000000 0.103183 Fe\n0.500000 0.500000 0.603183 Fe\n0.000000 0.500000 0.409495 Fe\n0.500000 0.000000 0.909495 Fe\n0.179409 0.293978 0.582448 O\n0.320591 0.793978 0.082448 O\n0.327564 0.705781 0.429208 O\n0.351229 0.756648 0.753561 O\n0.648771 0.243351 0.753561 O\n0.851230 0.743350 0.253561 O\n0.679409 0.206022 0.082448 O\n0.820592 0.706021 0.582448 O\n0.827565 0.794218 0.929207 O\n0.172436 0.205781 0.929207 O\n0.672436 0.294218 0.429208 O\n0.148771 0.256649 0.253561 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 4.08565834009398,
"density_atomic": 0.11844086323275245,
"volume": 185.74670430058416,
"volume_molar": 5.084512722746433,
"formula_full": "Li6 Fe4 O12",
"formula_reduced": "Li3(FeO3)2",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 2.4213110909090907,
"spacegroup": 34
},
{
"id": "jvasp-91830",
"created_at": "2022-09-04T14:36:19.398861Z",
"updated_at": "2022-09-04T14:36:19.398879Z",
"structure_string": "K1 Mg6 W1\n1.0\n6.294560 -1.686123 0.000000\n-4.607506 7.980434 0.000000\n0.000000 0.000000 4.373889\nK Mg W\n1 6 1\ndirect\n0.249929 0.374964 0.250000 K\n0.750017 0.375045 0.250000 Mg\n0.750016 0.874971 0.250000 Mg\n0.250007 0.090742 0.750000 Mg\n0.250006 0.659265 0.750000 Mg\n0.681424 0.090712 0.750000 Mg\n0.818589 0.659295 0.750000 Mg\n0.250009 0.875004 0.250000 W\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Mg",
"W"
],
"chemical_system": "K-Mg-W",
"density": 3.29692386925657,
"density_atomic": 0.04307211790715896,
"volume": 185.73500419096715,
"volume_molar": 13.981529241214925,
"formula_full": "K1 Mg6 W1",
"formula_reduced": "KMg6W",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.3185465375,
"spacegroup": 123
},
{
"id": "jvasp-106012",
"created_at": "2022-09-04T14:36:02.733434Z",
"updated_at": "2022-09-04T14:36:02.733454Z",
"structure_string": "Pr2 Ga5 Cu3\n1.0\n4.255500 0.000000 0.000000\n0.000000 4.255500 0.000000\n0.000000 0.000000 10.255638\nPr Ga Cu\n2 5 3\ndirect\n0.500000 0.000000 0.743939 Pr\n0.000000 0.500000 0.256061 Pr\n0.000000 0.500000 0.863594 Ga\n0.500000 0.000000 0.381026 Ga\n0.500000 0.000000 0.136406 Ga\n0.000000 0.500000 0.618975 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Pr",
"Ga",
"Cu"
],
"chemical_system": "Cu-Ga-Pr",
"density": 7.341156964358652,
"density_atomic": 0.05384385269276619,
"volume": 185.72222268454945,
"volume_molar": 11.184453672664219,
"formula_full": "Pr2 Ga5 Cu3",
"formula_reduced": "Pr2Ga5Cu3",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 0.0,
"spacegroup": 115
}
]
}