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=-spacegroup&page=3611",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=3609",
"results": [
{
"id": "jvasp-50056",
"created_at": "2022-09-04T14:36:33.082947Z",
"updated_at": "2022-09-04T14:36:33.082967Z",
"structure_string": "Y4 Sc4 O12\n1.0\n5.441531 0.000000 0.000000\n0.000000 5.743063 0.000000\n0.000000 0.000000 7.935603\nY Sc O\n4 4 12\ndirect\n0.980357 0.935903 0.009029 Y\n0.480357 0.564096 0.509029 Y\n0.519643 0.435903 0.009029 Y\n0.019643 0.064096 0.509029 Y\n0.500001 0.999979 0.759012 Sc\n0.000001 0.500020 0.259012 Sc\n-0.000001 0.499980 0.759012 Sc\n0.499998 0.000020 0.259012 Sc\n0.809750 0.193562 0.191237 O\n0.309751 0.306438 0.691236 O\n0.309806 0.306552 0.326723 O\n0.870087 0.443167 0.508999 O\n0.129913 0.556833 0.008999 O\n0.190194 0.806551 0.326723 O\n0.690249 0.693562 0.191237 O\n0.190249 0.806437 0.691236 O\n0.809806 0.193448 0.826722 O\n0.629913 0.943167 0.508999 O\n0.690194 0.693448 0.826722 O\n0.370087 0.056833 0.008999 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Y",
"Sc",
"O"
],
"chemical_system": "O-Sc-Y",
"density": 4.8708142035584245,
"density_atomic": 0.0806464722558693,
"volume": 247.99596858428532,
"volume_molar": 7.467333153635521,
"formula_full": "Y4 Sc4 O12",
"formula_reduced": "YScO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.94804824,
"spacegroup": 62
},
{
"id": "jvasp-46329",
"created_at": "2022-09-04T14:36:32.958476Z",
"updated_at": "2022-09-04T14:36:32.958496Z",
"structure_string": "V4 Ga4 O12\n1.0\n5.111319 0.000000 0.000000\n-0.000000 5.103597 0.000000\n0.000000 0.000000 7.716227\nV Ga O\n4 4 12\ndirect\n0.000000 0.500000 0.000000 V\n0.000000 0.500000 0.500000 V\n0.500000 0.000000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.981926 0.987139 0.250000 Ga\n0.518074 0.487139 0.750000 Ga\n0.481926 0.512862 0.250000 Ga\n0.018074 0.012861 0.750000 Ga\n0.168927 0.164184 0.072073 O\n0.331074 0.664184 0.927927 O\n0.331074 0.664184 0.572073 O\n0.385205 0.127768 0.750000 O\n0.614796 0.872232 0.250000 O\n0.831074 0.835817 0.572073 O\n0.668927 0.335816 0.072073 O\n0.831074 0.835817 0.927927 O\n0.168927 0.164184 0.427927 O\n0.885205 0.372232 0.750000 O\n0.668927 0.335816 0.427927 O\n0.114795 0.627769 0.250000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"V",
"Ga",
"O"
],
"chemical_system": "Ga-O-V",
"density": 5.565622958893084,
"density_atomic": 0.09936092831172688,
"volume": 201.28636416573755,
"volume_molar": 6.060874090373458,
"formula_full": "V4 Ga4 O12",
"formula_reduced": "VGaO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.951467405,
"spacegroup": 62
},
{
"id": "jvasp-96777",
"created_at": "2022-09-04T14:36:33.956926Z",
"updated_at": "2022-09-04T14:36:33.956946Z",
"structure_string": "Ni8 Sn4 P4\n1.0\n3.597985 0.000000 0.000000\n-0.000000 5.111135 0.000000\n0.000000 0.000000 13.036547\nNi Sn P\n8 4 4\ndirect\n0.250000 0.501057 0.113806 Ni\n0.749999 0.498944 0.886195 Ni\n0.749999 0.001056 0.386194 Ni\n0.250000 -0.001056 0.613806 Ni\n0.749999 0.514505 0.421355 Ni\n0.250000 0.485496 0.578645 Ni\n0.250000 0.014504 0.078645 Ni\n0.749999 0.985497 0.921355 Ni\n0.250000 0.293953 0.295079 Sn\n0.749999 0.706048 0.704922 Sn\n0.749999 0.793954 0.204921 Sn\n0.250000 0.206047 0.795079 Sn\n0.749999 0.286328 0.043303 P\n0.250000 0.713673 0.956697 P\n0.250000 0.786329 0.456697 P\n0.749999 0.213672 0.543303 P\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ni",
"Sn",
"P"
],
"chemical_system": "Ni-P-Sn",
"density": 7.399388561081607,
"density_atomic": 0.0667391555766694,
"volume": 239.73932336646556,
"volume_molar": 9.023399693875078,
"formula_full": "Ni8 Sn4 P4",
"formula_reduced": "Ni2SnP",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.268728,
"spacegroup": 62
},
{
"id": "jvasp-57237",
"created_at": "2022-09-04T14:36:33.587368Z",
"updated_at": "2022-09-04T14:36:33.587395Z",
"structure_string": "Ho4 F12\n1.0\n4.373054 0.000000 0.000000\n0.000000 6.363641 0.000000\n0.000000 0.000000 6.853914\nHo F\n4 12\ndirect\n0.562915 0.130533 0.750000 Ho\n0.937083 0.630533 0.750000 Ho\n0.062916 0.369467 0.250000 Ho\n0.437084 0.869467 0.250000 Ho\n0.879414 0.334192 0.937454 F\n0.087914 0.977824 0.750000 F\n0.620584 0.834192 0.562545 F\n0.912085 0.022176 0.250000 F\n0.412086 0.477824 0.750000 F\n0.379415 0.165808 0.437454 F\n0.120585 0.665808 0.437454 F\n0.620584 0.834192 0.937454 F\n0.379415 0.165808 0.062546 F\n0.587913 0.522176 0.250000 F\n0.120585 0.665808 0.062546 F\n0.879414 0.334192 0.562545 F\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ho",
"F"
],
"chemical_system": "F-Ho",
"density": 7.728357285181551,
"density_atomic": 0.0838862577278147,
"volume": 190.7344591758416,
"volume_molar": 7.178936005871198,
"formula_full": "Ho4 F12",
"formula_reduced": "HoF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-95150",
"created_at": "2022-09-04T14:36:34.272930Z",
"updated_at": "2022-09-04T14:36:34.272967Z",
"structure_string": "H12 Cl4 O20\n1.0\n8.951544 0.000000 0.000000\n0.000000 5.769561 -0.000000\n0.000000 0.000000 6.880967\nH Cl O\n12 4 20\ndirect\n0.211228 0.250000 0.610334 H\n0.711228 0.250000 0.889667 H\n0.788771 0.750000 0.389666 H\n0.288772 0.750000 0.110334 H\n0.818302 0.250000 0.674828 H\n0.898979 0.250000 0.906011 H\n0.318302 0.250000 0.825173 H\n0.398979 0.250000 0.593990 H\n0.101021 0.750000 0.093990 H\n0.181698 0.750000 0.325173 H\n0.601020 0.750000 0.406010 H\n0.681698 0.750000 0.174828 H\n0.561240 0.750000 0.815631 Cl\n0.061240 0.750000 0.684370 Cl\n0.938759 0.250000 0.315631 Cl\n0.438759 0.250000 0.184369 Cl\n0.071854 0.545578 0.805899 O\n0.309636 0.250000 0.676220 O\n0.809636 0.250000 0.823780 O\n0.428146 0.045578 0.305898 O\n0.928146 0.454422 0.194102 O\n0.571854 0.545578 0.694102 O\n0.071854 0.954422 0.805899 O\n0.571854 0.954422 0.694102 O\n0.428146 0.454422 0.305898 O\n0.312838 0.250000 0.046117 O\n0.421053 0.750000 0.921519 O\n0.921052 0.750000 0.578482 O\n0.578947 0.250000 0.078482 O\n0.078947 0.250000 0.421518 O\n0.687162 0.750000 0.953883 O\n0.187162 0.750000 0.546117 O\n0.190364 0.750000 0.176220 O\n0.812837 0.250000 0.453883 O\n0.928146 0.045578 0.194102 O\n0.690363 0.750000 0.323780 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-O",
"density": 2.2143246030409136,
"density_atomic": 0.10130066716179667,
"volume": 355.3777187123661,
"volume_molar": 5.9448184584820964,
"formula_full": "H12 Cl4 O20",
"formula_reduced": "H3ClO5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 2.5722535075,
"spacegroup": 62
},
{
"id": "jvasp-43493",
"created_at": "2022-09-04T14:36:34.689323Z",
"updated_at": "2022-09-04T14:36:34.689352Z",
"structure_string": "Sm4 Tm4 O12\n1.0\n5.697735 -0.000000 0.000000\n0.000000 5.973922 0.000000\n0.000000 0.000000 8.336010\nSm Tm O\n4 4 12\ndirect\n0.980514 0.056821 0.250000 Sm\n0.480514 0.443178 0.750000 Sm\n0.519487 0.556821 0.250000 Sm\n0.019487 0.943178 0.750000 Sm\n0.500000 0.000000 0.000000 Tm\n0.500000 0.000000 0.500000 Tm\n0.000000 0.500000 0.000000 Tm\n0.000000 0.500000 0.500000 Tm\n0.811052 0.807615 0.072974 O\n0.311051 0.692385 0.572974 O\n0.311051 0.692385 0.927026 O\n0.862007 0.565438 0.750000 O\n0.137994 0.434562 0.250000 O\n0.188949 0.192385 0.572974 O\n0.688950 0.307615 0.427026 O\n0.188949 0.192385 0.927026 O\n0.811052 0.807615 0.427026 O\n0.637994 0.065438 0.750000 O\n0.688950 0.307615 0.072974 O\n0.362007 0.934562 0.250000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sm",
"Tm",
"O"
],
"chemical_system": "O-Sm-Tm",
"density": 8.598070888346335,
"density_atomic": 0.0704871537802449,
"volume": 283.73964513240577,
"volume_molar": 8.543600410898982,
"formula_full": "Sm4 Tm4 O12",
"formula_reduced": "SmTmO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.398492725,
"spacegroup": 62
},
{
"id": "jvasp-20080",
"created_at": "2022-09-04T14:36:35.213507Z",
"updated_at": "2022-09-04T14:36:35.213525Z",
"structure_string": "Ni4 Ge4\n1.0\n3.480392 -0.000000 0.000000\n-0.000000 5.408881 0.000000\n0.000000 0.000000 5.891009\nNi Ge\n4 4\ndirect\n0.250000 0.504639 0.693366 Ni\n0.750000 0.495361 0.306634 Ni\n0.250000 0.004639 0.806635 Ni\n0.750000 0.995361 0.193366 Ni\n0.250000 0.693619 0.086522 Ge\n0.750000 0.306381 0.913478 Ge\n0.250000 0.193619 0.413478 Ge\n0.750000 0.806381 0.586522 Ge\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ni",
"Ge"
],
"chemical_system": "Ge-Ni",
"density": 7.86609164125241,
"density_atomic": 0.0721381021294686,
"volume": 110.89839854176009,
"volume_molar": 8.348072075963225,
"formula_full": "Ni4 Ge4",
"formula_reduced": "NiGe",
"formula_anonymous": "AB",
"energy_above_hull": 0.468719175,
"spacegroup": 62
},
{
"id": "jvasp-52481",
"created_at": "2022-09-04T14:36:35.268654Z",
"updated_at": "2022-09-04T14:36:35.268683Z",
"structure_string": "Sc4 Tl4 O12\n1.0\n0.000000 5.529094 0.006330\n5.667863 0.000000 0.000000\n0.000000 -5.520431 -8.124312\nSc Tl O\n4 4 12\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.500000 0.000000 Sc\n-0.000000 0.000000 0.500000 Sc\n0.500000 0.000000 -0.000000 Sc\n0.734950 0.950164 0.749999 Tl\n0.265049 0.450165 0.750000 Tl\n0.734950 0.549835 0.250000 Tl\n0.265049 0.049835 0.250000 Tl\n0.249103 0.811361 0.064478 O\n0.750896 0.311362 0.435522 O\n0.379860 0.311357 0.064489 O\n0.132942 0.066770 0.750003 O\n0.867057 0.933229 0.249997 O\n0.379860 0.188643 0.564489 O\n0.249103 0.688638 0.564478 O\n0.750896 0.188638 0.935521 O\n0.620139 0.811356 0.435511 O\n0.132942 0.433229 0.250003 O\n0.620139 0.688643 0.935511 O\n0.867057 0.566770 0.749997 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sc",
"Tl",
"O"
],
"chemical_system": "O-Sc-Tl",
"density": 7.763127403572157,
"density_atomic": 0.07861547873141655,
"volume": 254.40282655185993,
"volume_molar": 7.66024815618583,
"formula_full": "Sc4 Tl4 O12",
"formula_reduced": "ScTlO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5094956699999995,
"spacegroup": 62
},
{
"id": "jvasp-19098",
"created_at": "2022-09-04T14:36:35.417041Z",
"updated_at": "2022-09-04T14:36:35.417071Z",
"structure_string": "Tl8 S4 O16\n1.0\n5.910784 -0.000000 0.000000\n0.000000 7.817920 0.000000\n0.000000 0.000000 10.616026\nTl S O\n8 4 16\ndirect\n0.250000 0.490549 0.201680 Tl\n0.750000 0.509451 0.798320 Tl\n0.250000 0.990549 0.298320 Tl\n0.750000 0.009451 0.701680 Tl\n0.250000 0.169881 0.911903 Tl\n0.750000 0.830119 0.088097 Tl\n0.250000 0.669881 0.588097 Tl\n0.750000 0.330119 0.411903 Tl\n0.750000 0.773216 0.421229 S\n0.250000 0.226784 0.578771 S\n0.750000 0.273216 0.078771 S\n0.250000 0.726784 0.921229 S\n0.250000 0.036983 0.582706 O\n0.750000 0.963017 0.417294 O\n0.750000 0.711506 0.555029 O\n0.250000 0.288494 0.444972 O\n0.750000 0.211506 0.944972 O\n0.250000 0.788494 0.055028 O\n0.956463 0.705281 0.357349 O\n0.456463 0.794719 0.857349 O\n0.543536 0.205281 0.142651 O\n0.043536 0.794719 0.857349 O\n0.043536 0.294719 0.642651 O\n0.543536 0.705281 0.357349 O\n0.750000 0.463017 0.082706 O\n0.956463 0.205281 0.142651 O\n0.456463 0.294719 0.642651 O\n0.250000 0.536983 0.917294 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Tl",
"S",
"O"
],
"chemical_system": "O-S-Tl",
"density": 6.835263657964856,
"density_atomic": 0.05707681712139734,
"volume": 490.56694840650414,
"volume_molar": 10.550940055384375,
"formula_full": "Tl8 S4 O16",
"formula_reduced": "Tl2SO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4801241714285711,
"spacegroup": 62
},
{
"id": "jvasp-99191",
"created_at": "2022-09-04T14:36:35.661021Z",
"updated_at": "2022-09-04T14:36:35.661048Z",
"structure_string": "K4 P4 Pb4 S16\n1.0\n6.613306 0.000000 0.000000\n0.000000 6.643420 0.000000\n0.000000 0.000000 16.562063\nK P Pb S\n4 4 4 16\ndirect\n0.976434 0.250000 0.788767 K\n0.523567 0.250000 0.288767 K\n0.023567 0.750000 0.211233 K\n0.476434 0.750000 0.711232 K\n0.721967 0.750000 0.402617 P\n0.778034 0.750000 0.902617 P\n0.221967 0.250000 0.097383 P\n0.278033 0.250000 0.597383 P\n0.718410 0.250000 0.023527 Pb\n0.281591 0.750000 0.976473 Pb\n0.781591 0.250000 0.523527 Pb\n0.218410 0.750000 0.476473 Pb\n0.398798 0.002528 0.121800 S\n0.527660 0.250000 0.670697 S\n0.972341 0.250000 0.170697 S\n0.852145 0.750000 0.024336 S\n0.601203 0.502528 0.878200 S\n0.647856 0.750000 0.524336 S\n0.898798 0.502528 0.378200 S\n0.472340 0.750000 0.329303 S\n0.601203 0.997472 0.878200 S\n0.398798 0.497472 0.121800 S\n0.101202 0.497472 0.621800 S\n0.352145 0.250000 0.475664 S\n0.898798 0.997472 0.378200 S\n0.147855 0.250000 0.975664 S\n0.101202 0.002528 0.621800 S\n0.027660 0.750000 0.829302 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"K",
"P",
"Pb",
"S"
],
"chemical_system": "K-P-Pb-S",
"density": 3.701770794227264,
"density_atomic": 0.03847984121723573,
"volume": 727.653730220133,
"volume_molar": 15.65011852830252,
"formula_full": "K4 P4 Pb4 S16",
"formula_reduced": "KPPbS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.50277776,
"spacegroup": 62
},
{
"id": "jvasp-52295",
"created_at": "2022-09-04T14:36:35.670033Z",
"updated_at": "2022-09-04T14:36:35.670063Z",
"structure_string": "Bi4 O4 F4\n1.0\n3.626646 0.000000 0.000000\n0.000000 6.403873 0.000000\n0.000000 0.000000 7.671651\nBi O F\n4 4 4\ndirect\n0.750001 0.207407 0.102998 Bi\n0.250000 0.292593 0.602998 Bi\n0.750001 0.707407 0.397002 Bi\n0.250000 0.792592 0.897002 Bi\n0.750001 0.011244 0.858252 O\n0.250000 0.488756 0.358252 O\n0.750001 0.511244 0.641748 O\n0.250000 0.988755 0.141748 O\n0.750001 0.140112 0.420383 F\n0.250000 0.359887 0.920383 F\n0.750001 0.640112 0.079617 F\n0.250000 0.859887 0.579617 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Bi",
"O",
"F"
],
"chemical_system": "Bi-F-O",
"density": 9.095433510991576,
"density_atomic": 0.06735107502669854,
"volume": 178.17087544991819,
"volume_molar": 8.941417427431965,
"formula_full": "Bi4 O4 F4",
"formula_reduced": "BiOF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2854126941666668,
"spacegroup": 62
},
{
"id": "jvasp-52247",
"created_at": "2022-09-04T14:36:35.964733Z",
"updated_at": "2022-09-04T14:36:35.964753Z",
"structure_string": "Bi4 O4 F4\n1.0\n3.785530 0.000000 0.000000\n-0.000000 6.309462 0.000000\n0.000000 0.000000 7.307044\nBi O F\n4 4 4\ndirect\n0.250000 0.220563 0.908258 Bi\n0.750000 0.279437 0.408258 Bi\n0.250000 0.720562 0.591742 Bi\n0.750000 0.779437 0.091742 Bi\n0.750000 0.140163 0.069754 O\n0.250000 0.359837 0.569754 O\n0.750000 0.640163 0.430245 O\n0.250000 0.859837 0.930245 O\n0.750000 0.040136 0.666475 F\n0.250000 0.459864 0.166475 F\n0.750000 0.540136 0.833524 F\n0.250000 0.959863 0.333525 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Bi",
"O",
"F"
],
"chemical_system": "Bi-F-O",
"density": 9.285373410183093,
"density_atomic": 0.06875756723903254,
"volume": 174.52624462821015,
"volume_molar": 8.758513428877295,
"formula_full": "Bi4 O4 F4",
"formula_reduced": "BiOF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2764593608333336,
"spacegroup": 62
}
]
}