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=-updated_at&page=369",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=367",
"results": [
{
"id": "jvasp-115087",
"created_at": "2022-09-04T14:38:44.551537Z",
"updated_at": "2022-09-04T14:38:44.551571Z",
"structure_string": "Hf1 Mg1 O3\n1.0\n2.737343 -2.795225 -0.135465\n2.737343 2.795225 -0.135465\n-1.040455 0.000000 4.896034\nHf Mg O\n1 1 3\ndirect\n0.030215 0.030215 0.015601 Hf\n0.445393 0.445393 0.712976 Mg\n0.494857 -0.021725 0.880886 O\n-0.021725 0.494857 0.880886 O\n0.164614 0.164614 0.396301 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Hf",
"Mg",
"O"
],
"chemical_system": "Hf-Mg-O",
"density": 5.617407687499641,
"density_atomic": 0.0674436543975663,
"volume": 74.13595904109883,
"volume_molar": 8.929143614461836,
"formula_full": "Hf1 Mg1 O3",
"formula_reduced": "HfMgO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.8887285099999995,
"spacegroup": 8
},
{
"id": "jvasp-115449",
"created_at": "2022-09-04T14:38:44.549205Z",
"updated_at": "2022-09-04T14:38:44.549234Z",
"structure_string": "Li1 Ge1 Au1\n1.0\n4.575584 0.000000 -0.000000\n-2.287792 3.962572 0.000000\n0.000000 0.000000 2.997319\nLi Ge Au\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Li\n0.333332 0.666666 0.000000 Ge\n0.000000 0.000000 0.000000 Au\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Ge",
"Au"
],
"chemical_system": "Au-Ge-Li",
"density": 8.45010833361741,
"density_atomic": 0.05520324263621943,
"volume": 54.34463369787028,
"volume_molar": 10.909034455973805,
"formula_full": "Li1 Ge1 Au1",
"formula_reduced": "LiGeAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4882711733333334,
"spacegroup": 187
},
{
"id": "jvasp-115149",
"created_at": "2022-09-04T14:38:44.548672Z",
"updated_at": "2022-09-04T14:38:44.548698Z",
"structure_string": "Tl1 In1 S1\n1.0\n3.097364 0.000000 0.000000\n0.000000 3.097364 0.000000\n0.000000 0.000000 8.943239\nTl In S\n1 1 1\ndirect\n0.000000 0.000000 0.693159 Tl\n0.000000 0.000000 0.293587 In\n0.000000 0.000000 0.004411 S\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Tl",
"In",
"S"
],
"chemical_system": "In-S-Tl",
"density": 6.7983928023522,
"density_atomic": 0.03496567568111495,
"volume": 85.7984277884356,
"volume_molar": 17.223006970955154,
"formula_full": "Tl1 In1 S1",
"formula_reduced": "TlInS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2734808566666667,
"spacegroup": 99
},
{
"id": "jvasp-112814",
"created_at": "2022-09-04T14:38:44.548323Z",
"updated_at": "2022-09-04T14:38:44.548350Z",
"structure_string": "Ni6 O2 F10\n1.0\n3.038908 0.000000 0.000000\n-0.000000 6.152211 2.144589\n-0.000000 0.146449 10.399590\nNi O F\n6 2 10\ndirect\n0.000000 0.017194 0.996191 Ni\n0.500000 0.473073 0.007196 Ni\n0.500000 0.836941 0.330507 Ni\n0.000000 0.669692 0.667079 Ni\n0.000000 0.323945 0.351413 Ni\n0.500000 0.174047 0.652652 Ni\n0.000000 0.295157 0.012307 O\n0.500000 0.239585 0.464871 O\n0.000000 0.961793 0.684552 F\n0.500000 0.582003 0.798523 F\n0.500000 0.762243 0.533550 F\n0.500000 0.419583 0.210499 F\n0.500000 0.906570 0.128611 F\n0.000000 0.699683 -0.009657 F\n0.000000 0.376235 0.649799 F\n0.000000 0.630391 0.351853 F\n0.000000 0.042653 0.309245 F\n0.500000 0.089212 0.860791 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ni",
"O",
"F"
],
"chemical_system": "F-Ni-O",
"density": 4.927668769926566,
"density_atomic": 0.09303463657399005,
"volume": 193.47632949245389,
"volume_molar": 6.473009388509426,
"formula_full": "Ni6 O2 F10",
"formula_reduced": "Ni3OF5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 0.4523335680555557,
"spacegroup": 6
},
{
"id": "jvasp-105457",
"created_at": "2022-09-04T14:38:44.544424Z",
"updated_at": "2022-09-04T14:38:44.544457Z",
"structure_string": "Li2 Ge1 Pd1\n1.0\n3.714423 -0.000000 2.144523\n1.238141 3.501991 2.144523\n-0.000000 -0.000000 4.289046\nLi Ge Pd\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.749999 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Ge\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ge",
"Pd"
],
"chemical_system": "Ge-Li-Pd",
"density": 5.742602873688096,
"density_atomic": 0.07169566573598547,
"volume": 55.79137816684392,
"volume_molar": 8.399588312878121,
"formula_full": "Li2 Ge1 Pd1",
"formula_reduced": "Li2GePd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8122954125000001,
"spacegroup": 216
},
{
"id": "jvasp-119174",
"created_at": "2022-09-04T14:38:44.543023Z",
"updated_at": "2022-09-04T14:38:44.543057Z",
"structure_string": "La3 Y1 Sc4 O12\n1.0\n8.068653 -0.000000 0.000000\n0.000000 5.625440 0.015429\n-0.000000 -0.009880 5.807063\nLa Y Sc O\n3 1 4 12\ndirect\n-0.000000 0.990193 0.048873 La\n0.500000 0.489470 0.455979 La\n0.500000 0.014026 0.948943 La\n-0.000000 0.519041 0.559993 Y\n0.246735 0.498786 0.002485 Sc\n0.754447 0.002268 0.500036 Sc\n0.753264 0.498786 0.002485 Sc\n0.245552 0.002268 0.500036 Sc\n0.814477 0.692240 0.307853 O\n0.191876 0.793268 0.792981 O\n0.185523 0.692240 0.307853 O\n0.808123 0.793268 0.792981 O\n0.696006 0.297203 0.704227 O\n-0.000000 0.130129 0.465106 O\n0.500000 0.903168 0.529183 O\n0.500000 0.598995 0.037145 O\n0.700757 0.194196 0.197084 O\n-0.000000 0.399057 0.945440 O\n0.299243 0.194196 0.197084 O\n0.303994 0.297203 0.704227 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"La",
"Y",
"Sc",
"O"
],
"chemical_system": "La-O-Sc-Y",
"density": 5.527767739170364,
"density_atomic": 0.07587765418111658,
"volume": 263.5822129168739,
"volume_molar": 7.936645940088526,
"formula_full": "La3 Y1 Sc4 O12",
"formula_reduced": "La3YSc4O12",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.8376636725,
"spacegroup": 6
},
{
"id": "jvasp-112119",
"created_at": "2022-09-04T14:38:44.540783Z",
"updated_at": "2022-09-04T14:38:44.540806Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n4.006098 0.071004 0.098143\n0.895957 4.091261 -0.005047\n-0.291601 -0.036606 17.388322\nCd H C O\n1 20 12 4\ndirect\n0.183181 0.060792 0.854035 Cd\n0.622433 0.744684 0.515515 H\n0.728414 0.213586 0.589137 H\n0.560580 0.408328 0.049519 H\n0.178208 0.292066 0.164575 H\n0.743561 0.377127 0.192569 H\n0.364816 0.268153 0.303886 H\n0.932942 0.345698 0.333800 H\n0.552763 0.238959 0.444890 H\n0.120375 0.316794 0.474518 H\n0.006040 0.294617 0.027521 H\n0.290870 0.300024 0.616044 H\n0.075357 0.821736 0.092080 H\n0.637767 0.908204 0.118944 H\n0.245630 0.804960 0.233601 H\n0.813225 0.882786 0.263217 H\n0.433015 0.776051 0.374308 H\n0.001145 0.853581 0.404225 H\n0.805679 0.713488 0.658538 H\n0.360263 0.827159 0.680579 H\n0.187827 0.829674 0.543539 H\n0.723838 0.701828 0.964507 C\n0.788829 0.504077 0.037622 C\n0.862812 0.706751 0.106809 C\n0.955281 0.494553 0.178251 C\n0.037634 0.683563 0.248461 C\n0.140706 0.467338 0.318893 C\n0.503376 0.415028 0.601289 C\n0.328361 0.438186 0.459649 C\n0.410765 0.627216 0.529849 C\n0.577473 0.617718 0.670462 C\n0.642621 0.419963 0.743573 C\n0.225261 0.654400 0.389217 C\n0.465075 0.947380 0.963682 O\n0.437375 0.498239 0.800800 O\n0.901434 0.174456 0.744378 O\n0.929184 0.623499 0.907296 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 1.9920270042642596,
"density_atomic": 0.13028099547960598,
"volume": 284.0015142944769,
"volume_molar": 4.622424581444574,
"formula_full": "Cd1 H20 C12 O4",
"formula_reduced": "CdH20(C3O)4",
"formula_anonymous": "AB4C12D20",
"energy_above_hull": 4.59571739864865,
"spacegroup": 2
},
{
"id": "jvasp-114976",
"created_at": "2022-09-04T14:38:44.539456Z",
"updated_at": "2022-09-04T14:38:44.539482Z",
"structure_string": "Ge2 Cl2\n1.0\n3.438954 -0.000000 0.000000\n0.000000 3.438954 -0.000000\n-0.000000 -0.000000 7.333039\nGe Cl\n2 2\ndirect\n0.000000 0.000000 0.893400 Ge\n0.500000 0.500000 0.106599 Ge\n0.000000 0.000000 0.318215 Cl\n0.500000 0.500000 0.681786 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ge",
"Cl"
],
"chemical_system": "Cl-Ge",
"density": 4.139424210353548,
"density_atomic": 0.04612360702120501,
"volume": 86.72348626509257,
"volume_molar": 13.056526037157855,
"formula_full": "Ge2 Cl2",
"formula_reduced": "GeCl",
"formula_anonymous": "AB",
"energy_above_hull": 0.1984150087499999,
"spacegroup": 129
},
{
"id": "jvasp-112175",
"created_at": "2022-09-04T14:38:44.530145Z",
"updated_at": "2022-09-04T14:38:44.530162Z",
"structure_string": "Cd1 H8 C6 O4\n1.0\n3.710755 -0.114924 -0.273016\n-1.233857 4.399242 -0.117171\n0.204102 -0.099605 10.027644\nCd H C O\n1 8 6 4\ndirect\n0.006226 0.786290 0.787368 Cd\n0.242237 0.576539 0.433686 H\n0.709347 0.619117 0.483665 H\n0.163125 0.040396 0.334154 H\n0.377905 0.492234 0.189339 H\n0.303333 0.953341 0.091092 H\n0.770525 0.996096 0.141019 H\n0.634676 0.080271 0.385407 H\n0.849450 0.532130 0.240592 H\n0.707397 0.257737 0.978752 C\n0.578436 0.128091 0.110856 C\n0.569043 0.362562 0.222430 C\n0.305048 0.314878 0.595975 C\n0.434190 0.444452 0.463882 C\n0.443549 0.209953 0.352313 C\n0.899059 0.537739 0.978002 O\n0.387166 0.498881 0.701687 O\n0.113225 0.034922 0.596739 O\n0.625296 0.073791 0.873025 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.6223480663476058,
"density_atomic": 0.11696232115265943,
"volume": 162.44547656677543,
"volume_molar": 5.148786977423175,
"formula_full": "Cd1 H8 C6 O4",
"formula_reduced": "CdH8(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.252808092105263,
"spacegroup": 2
},
{
"id": "jvasp-117527",
"created_at": "2022-09-04T14:38:44.529108Z",
"updated_at": "2022-09-04T14:38:44.529143Z",
"structure_string": "Ba1 Br1 Cl1\n1.0\n6.238986 0.001208 0.000000\n0.001181 5.922036 0.000000\n0.000000 0.000000 5.909993\nBa Br Cl\n1 1 1\ndirect\n-0.047623 -0.054212 0.000000 Ba\n0.452383 -0.054442 0.000000 Br\n-0.047663 0.445810 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Br",
"Cl"
],
"chemical_system": "Ba-Br-Cl",
"density": 1.9215639245897633,
"density_atomic": 0.013738814215245039,
"volume": 218.3594561364038,
"volume_molar": 43.83304603768231,
"formula_full": "Ba1 Br1 Cl1",
"formula_reduced": "BaBrCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2085833333333333,
"spacegroup": 47
},
{
"id": "jvasp-112857",
"created_at": "2022-09-04T14:38:44.527660Z",
"updated_at": "2022-09-04T14:38:44.527684Z",
"structure_string": "Li4 Fe4 Si4 O16\n1.0\n4.782543 -0.000000 0.000000\n0.000000 5.863287 0.000000\n-0.000000 -0.000000 10.104084\nLi Fe Si O\n4 4 4 16\ndirect\n0.000000 0.000000 0.500000 Li\n-0.000000 0.500000 0.500000 Li\n0.500000 0.500000 -0.000000 Li\n0.500000 0.000000 -0.000000 Li\n0.989897 0.250000 0.226056 Fe\n0.510102 0.250000 0.726056 Fe\n0.489897 0.750000 0.273944 Fe\n0.010103 0.750000 0.773944 Fe\n0.059501 0.250000 0.906952 Si\n0.440499 0.250000 0.406953 Si\n0.559501 0.750000 0.593047 Si\n0.940498 0.750000 0.093047 Si\n0.216147 0.033589 0.829929 O\n0.216147 0.466411 0.829929 O\n0.283852 0.033589 0.329929 O\n0.283852 0.466411 0.329929 O\n0.278868 0.750000 0.100202 O\n0.810023 0.750000 0.942510 O\n0.189976 0.250000 0.057490 O\n0.778868 0.250000 0.399798 O\n0.783852 0.533590 0.170071 O\n0.783852 0.966411 0.170071 O\n0.716147 0.533590 0.670071 O\n0.716147 0.966411 0.670071 O\n0.221132 0.750000 0.600202 O\n0.310024 0.250000 0.557490 O\n0.721131 0.250000 0.899798 O\n0.689976 0.750000 0.442510 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 3.630587256645536,
"density_atomic": 0.09882368565437621,
"volume": 283.3328853765542,
"volume_molar": 6.0938232774091246,
"formula_full": "Li4 Fe4 Si4 O16",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.4360440142857143,
"spacegroup": 62
},
{
"id": "jvasp-116665",
"created_at": "2022-09-04T14:38:44.526703Z",
"updated_at": "2022-09-04T14:38:44.526723Z",
"structure_string": "Nb6 V2 C3 S6\n1.0\n5.703969 -0.004084 0.618592\n-2.958661 4.876638 0.618592\n-0.004375 -0.007766 8.863675\nNb V C S\n6 2 3 6\ndirect\n0.043171 0.710726 0.868838 Nb\n0.710725 0.043172 0.868838 Nb\n0.377696 0.377697 0.866857 Nb\n0.289275 0.956829 0.131162 Nb\n0.956829 0.289275 0.131161 Nb\n0.622304 0.622304 0.133142 Nb\n0.169727 0.830273 0.500000 V\n0.830272 0.169728 0.500000 V\n0.666304 0.333697 -0.000000 C\n0.333697 0.666304 -0.000000 C\n0.000000 0.000000 0.000000 C\n0.772248 0.772248 0.664551 S\n0.227752 0.227752 0.335448 S\n0.879987 0.554591 0.336627 S\n0.554591 0.879987 0.336627 S\n0.120013 0.445409 0.663372 S\n0.445409 0.120013 0.663372 S\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Nb",
"V",
"C",
"S"
],
"chemical_system": "C-Nb-S-V",
"density": 5.980219645238507,
"density_atomic": 0.06896512327249515,
"volume": 246.50140815132832,
"volume_molar": 8.732153984855945,
"formula_full": "Nb6 V2 C3 S6",
"formula_reduced": "Nb6V2(CS2)3",
"formula_anonymous": "A2B3C6D6",
"energy_above_hull": 5.186610282352941,
"spacegroup": 12
}
]
}