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=571",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=569",
"results": [
{
"id": "jvasp-88892",
"created_at": "2022-09-04T14:36:12.358144Z",
"updated_at": "2022-09-04T14:36:12.358173Z",
"structure_string": "Hf12 Al8\n1.0\n6.932613 0.000000 0.000000\n0.000000 7.537931 0.000000\n0.000000 -0.000000 7.537931\nHf Al\n12 8\ndirect\n0.500000 0.150970 0.849030 Hf\n0.750000 0.000000 0.500000 Hf\n0.250000 0.000000 0.500000 Hf\n0.000000 0.792291 0.207709 Hf\n0.500000 0.292291 0.292291 Hf\n0.500000 0.707709 0.707709 Hf\n0.000000 0.207709 0.792291 Hf\n0.000000 0.650970 0.650970 Hf\n0.500000 0.849030 0.150970 Hf\n0.750000 0.500000 0.000000 Hf\n0.000000 0.349030 0.349030 Hf\n0.250000 0.500000 0.000000 Hf\n0.795344 0.878389 0.878389 Al\n0.795344 0.121611 0.121611 Al\n0.295344 0.378389 0.621611 Al\n0.295344 0.621611 0.378389 Al\n0.204656 0.878389 0.878389 Al\n0.704656 0.621611 0.378389 Al\n0.704656 0.378389 0.621611 Al\n0.204656 0.121611 0.121611 Al\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Hf",
"Al"
],
"chemical_system": "Al-Hf",
"density": 9.938991509902431,
"density_atomic": 0.05077252042766903,
"volume": 393.9138697771007,
"volume_molar": 11.861023855570052,
"formula_full": "Hf12 Al8",
"formula_reduced": "Hf3Al2",
"formula_anonymous": "A2B3",
"energy_above_hull": 4.15867892,
"spacegroup": 136
},
{
"id": "jvasp-50374",
"created_at": "2022-09-04T14:36:35.516055Z",
"updated_at": "2022-09-04T14:36:35.516080Z",
"structure_string": "Li4 Ti2 Te2 O12\n1.0\n4.907401 0.000000 0.000000\n0.000000 5.099474 0.000000\n0.000000 0.000000 8.533210\nLi Ti Te O\n4 2 2 12\ndirect\n0.000000 0.000000 0.306591 Li\n0.500000 0.000000 0.173153 Li\n0.000000 0.500000 0.673153 Li\n0.500000 0.500000 0.806591 Li\n0.000000 0.000000 0.890801 Ti\n0.500000 0.500000 0.390801 Ti\n0.500000 0.000000 0.586840 Te\n0.000000 0.500000 0.086840 Te\n0.204586 0.179639 0.073732 O\n0.704586 0.320361 0.573732 O\n0.792605 0.323572 0.918448 O\n0.756866 0.348027 0.243858 O\n0.243134 0.651972 0.243858 O\n0.707395 0.823571 0.418448 O\n0.295414 0.679638 0.573732 O\n0.795414 0.820361 0.073732 O\n0.292605 0.176428 0.418448 O\n0.743134 0.848027 0.743858 O\n0.207395 0.676428 0.918448 O\n0.256866 0.151973 0.743858 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Te",
"O"
],
"chemical_system": "Li-O-Te-Ti",
"density": 4.437727250727489,
"density_atomic": 0.09365708424808744,
"volume": 213.54497805016194,
"volume_molar": 6.429989582045928,
"formula_full": "Li4 Ti2 Te2 O12",
"formula_reduced": "Li2TiTeO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.25043871,
"spacegroup": 34
},
{
"id": "jvasp-48713",
"created_at": "2022-09-04T14:36:12.009741Z",
"updated_at": "2022-09-04T14:36:12.009753Z",
"structure_string": "V4 O4 F12\n1.0\n4.600127 0.000000 0.000000\n0.000000 4.845647 0.000000\n0.000000 0.000000 12.603533\nV O F\n4 4 12\ndirect\n0.500000 0.000000 0.116902 V\n0.000000 0.000000 0.920675 V\n0.500000 0.500000 0.616902 V\n0.000000 0.500000 0.420675 V\n0.753750 0.147945 0.039253 O\n0.753750 0.352055 0.539253 O\n0.246250 0.647945 0.539253 O\n0.246250 0.852056 0.039253 O\n0.779392 0.702771 0.937911 F\n0.779392 0.797229 0.437911 F\n0.683869 0.747189 0.691308 F\n0.221830 0.669338 0.328960 F\n0.778171 0.330663 0.328960 F\n0.316131 0.247189 0.191308 F\n0.220609 0.202771 0.437911 F\n0.220609 0.297229 0.937911 F\n0.683869 0.752812 0.191308 F\n0.778171 0.169338 0.828960 F\n0.316131 0.252812 0.691308 F\n0.221830 0.830663 0.828960 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 2.9301715707944163,
"density_atomic": 0.07118952544711928,
"volume": 280.9402067844422,
"volume_molar": 8.459307351997088,
"formula_full": "V4 O4 F12",
"formula_reduced": "VOF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.8157697094999998,
"spacegroup": 30
},
{
"id": "jvasp-45691",
"created_at": "2022-09-04T14:36:34.844326Z",
"updated_at": "2022-09-04T14:36:34.844352Z",
"structure_string": "Pr2 Zn2 Fe4 O12\n1.0\n0.000000 5.241352 0.000073\n5.405718 0.000000 0.000000\n0.000000 -5.241010 -7.486720\nPr Zn Fe O\n2 2 4 12\ndirect\n0.759375 0.286187 0.749999 Pr\n0.759375 0.713813 0.249999 Pr\n0.230204 0.768138 0.749997 Zn\n0.230204 0.231862 0.249997 Zn\n0.001285 0.757927 0.001135 Fe\n0.499005 0.757928 0.498861 Fe\n0.001285 0.242074 0.501135 Fe\n0.499005 0.242072 -0.001139 Fe\n0.854296 0.454502 0.053523 O\n0.185549 0.988132 0.450173 O\n0.785198 0.988134 0.049822 O\n0.317599 0.227370 0.749995 O\n0.620252 0.260997 0.249998 O\n0.185549 0.011868 0.950173 O\n0.854296 0.545498 0.553523 O\n0.785198 0.011867 0.549822 O\n0.247245 0.454501 0.446472 O\n0.317599 0.772630 0.249995 O\n0.247245 0.545500 0.946472 O\n0.620252 0.739003 0.749998 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Pr",
"Zn",
"Fe",
"O"
],
"chemical_system": "Fe-O-Pr-Zn",
"density": 6.4818438402725835,
"density_atomic": 0.09428572085145259,
"volume": 212.12119734980925,
"volume_molar": 6.387118543101451,
"formula_full": "Pr2 Zn2 Fe4 O12",
"formula_reduced": "PrZn(FeO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.372509225,
"spacegroup": 31
},
{
"id": "jvasp-50626",
"created_at": "2022-09-04T14:36:34.889836Z",
"updated_at": "2022-09-04T14:36:34.889853Z",
"structure_string": "Li10 Bi2 S8\n1.0\n3.805734 6.281427 0.000000\n-3.805734 6.281427 0.000000\n0.000000 0.000000 7.708822\nLi Bi S\n10 2 8\ndirect\n0.240958 0.883386 0.303680 Li\n0.759043 0.116614 0.803680 Li\n0.835089 0.426270 0.016059 Li\n0.573731 0.164911 0.516059 Li\n0.863384 0.863384 0.213661 Li\n0.883386 0.240958 0.303680 Li\n0.164911 0.573731 0.516059 Li\n0.426270 0.835089 0.016059 Li\n0.116614 0.759043 0.803680 Li\n0.136616 0.136616 0.713661 Li\n0.333460 0.333460 0.078782 Bi\n0.666540 0.666540 0.578782 Bi\n0.500855 0.005861 0.270549 S\n0.499145 0.994140 0.770549 S\n0.005861 0.500855 0.270549 S\n0.022961 0.022961 0.027563 S\n0.977040 0.977040 0.527563 S\n0.476728 0.476728 0.715116 S\n0.523272 0.523272 0.215116 S\n0.994140 0.499145 0.770549 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Bi",
"S"
],
"chemical_system": "Bi-Li-S",
"density": 3.351533190045779,
"density_atomic": 0.054264428701746185,
"volume": 368.56556824593304,
"volume_molar": 11.097768656331974,
"formula_full": "Li10 Bi2 S8",
"formula_reduced": "Li5BiS4",
"formula_anonymous": "AB4C5",
"energy_above_hull": 1.3174694299999998,
"spacegroup": 36
},
{
"id": "jvasp-48722",
"created_at": "2022-09-04T14:36:12.352679Z",
"updated_at": "2022-09-04T14:36:12.352702Z",
"structure_string": "Li10 Fe2 O6 F2\n1.0\n-1.820950 -4.695181 -4.351729\n-1.820950 4.695181 -4.351729\n3.675426 0.000000 -2.915152\nLi Fe O F\n10 2 6 2\ndirect\n0.963516 0.546434 0.254484 Li\n0.467956 0.037878 0.743668 Li\n0.212121 0.782043 0.506333 Li\n0.268610 0.268610 0.241708 Li\n0.981390 0.981390 0.008292 Li\n0.037878 0.467956 0.743668 Li\n0.286483 0.703566 0.995517 Li\n0.546434 0.963516 0.254484 Li\n0.703566 0.286483 0.995517 Li\n0.782043 0.212121 0.506333 Li\n0.494361 0.494361 0.493532 Fe\n0.755639 0.755639 0.756469 Fe\n0.228107 0.525600 0.374222 O\n0.525600 0.228107 0.374222 O\n0.770561 0.479438 0.625001 O\n0.479438 0.770561 0.625001 O\n0.724399 0.021893 0.875779 O\n0.021893 0.724399 0.875779 O\n0.979400 0.270600 0.125000 F\n0.270600 0.979400 0.125000 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 2.615586167225775,
"density_atomic": 0.09997948387620885,
"volume": 200.04104066753646,
"volume_molar": 6.023376523383946,
"formula_full": "Li10 Fe2 O6 F2",
"formula_reduced": "Li5FeO3F",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 1.4712696282500002,
"spacegroup": 12
},
{
"id": "jvasp-4855",
"created_at": "2022-09-04T14:36:34.175783Z",
"updated_at": "2022-09-04T14:36:34.175810Z",
"structure_string": "Er2 Ag2 P4 Se12\n1.0\n3.307377 -5.728544 0.000000\n3.307377 5.728544 0.000000\n0.000000 0.000000 13.496468\nEr Ag P Se\n2 2 4 12\ndirect\n0.000000 0.000000 0.250000 Er\n0.000000 0.000000 0.750000 Er\n0.333334 0.666667 0.250000 Ag\n0.666667 0.333334 0.750000 Ag\n0.666667 0.333334 0.334771 P\n0.666667 0.333334 0.165229 P\n0.333334 0.666667 0.665229 P\n0.333334 0.666667 0.834771 P\n0.341044 0.321868 0.384063 Se\n0.678133 0.658957 0.115937 Se\n0.341044 0.019176 0.115937 Se\n0.980825 0.321868 0.115937 Se\n0.019176 0.341044 0.615937 Se\n0.658957 0.980825 0.884063 Se\n0.658957 0.678133 0.615937 Se\n0.321868 0.341044 0.884063 Se\n0.678133 0.019176 0.384063 Se\n0.019176 0.678133 0.884063 Se\n0.321868 0.980825 0.615937 Se\n0.980825 0.658957 0.384063 Se\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Er",
"Ag",
"P",
"Se"
],
"chemical_system": "Ag-Er-P-Se",
"density": 5.265424042137158,
"density_atomic": 0.03910676715640527,
"volume": 511.4204383095935,
"volume_molar": 15.399229335206343,
"formula_full": "Er2 Ag2 P4 Se12",
"formula_reduced": "ErAg(PSe3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.789572846,
"spacegroup": 163
},
{
"id": "jvasp-50357",
"created_at": "2022-09-04T14:36:12.531987Z",
"updated_at": "2022-09-04T14:36:12.532014Z",
"structure_string": "Rb4 Nb4 O12\n1.0\n4.885149 4.307932 -0.034854\n-4.885149 4.307932 0.034854\n-0.762156 0.000000 8.128979\nRb Nb O\n4 4 12\ndirect\n0.336721 0.663279 0.767268 Rb\n0.231489 0.231489 0.500000 Rb\n0.768510 0.768511 0.500000 Rb\n0.663279 0.336721 0.232732 Rb\n0.261603 0.738397 0.203073 Nb\n0.189328 0.189328 0.000000 Nb\n0.810672 0.810672 0.000000 Nb\n0.738396 0.261603 0.796927 Nb\n0.291405 0.045578 0.216325 O\n0.954421 0.708595 0.216325 O\n0.771694 0.548884 0.893772 O\n0.451116 0.228306 0.893772 O\n0.228306 0.451116 0.106229 O\n0.334439 0.665560 0.419012 O\n0.708594 0.954422 0.783675 O\n0.045578 0.291405 0.783675 O\n0.665560 0.334440 0.580988 O\n0.121851 0.878149 0.947007 O\n0.548884 0.771694 0.106229 O\n0.878148 0.121851 0.052993 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Rb",
"Nb",
"O"
],
"chemical_system": "Nb-O-Rb",
"density": 4.3975469580099515,
"density_atomic": 0.058493546759100144,
"volume": 341.9180594804417,
"volume_molar": 10.295393412886362,
"formula_full": "Rb4 Nb4 O12",
"formula_reduced": "RbNbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.99114598,
"spacegroup": 12
},
{
"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-45686",
"created_at": "2022-09-04T14:36:34.752847Z",
"updated_at": "2022-09-04T14:36:34.752883Z",
"structure_string": "Pr2 Mg2 Ni4 O12\n1.0\n0.000000 5.372503 -0.000236\n5.198097 0.000000 0.000000\n0.000000 0.000081 -7.433679\nPr Mg Ni O\n2 2 4 12\ndirect\n0.289959 0.990637 0.750000 Pr\n0.710040 0.490637 0.250001 Pr\n0.812555 0.529491 0.749999 Mg\n0.187444 0.029491 0.250002 Mg\n0.750487 0.002876 0.998495 Ni\n0.750490 0.002876 0.501506 Ni\n0.249509 0.502876 0.498494 Ni\n0.249512 0.502876 0.001506 Ni\n0.449687 0.193242 0.055352 O\n0.990175 0.265695 0.443041 O\n0.990178 0.265690 0.056960 O\n0.201019 0.427425 0.750001 O\n0.265142 0.628855 0.250000 O\n0.009822 0.765691 0.943041 O\n0.550311 0.693243 0.555351 O\n0.009825 0.765695 0.556959 O\n0.449688 0.193242 0.444650 O\n0.798980 0.927425 0.250000 O\n0.550312 0.693242 0.944649 O\n0.734857 0.128855 0.750001 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Pr",
"Mg",
"Ni",
"O"
],
"chemical_system": "Mg-Ni-O-Pr",
"density": 6.056616742880725,
"density_atomic": 0.09633966819130484,
"volume": 207.59880509745315,
"volume_molar": 6.250946129523342,
"formula_full": "Pr2 Mg2 Ni4 O12",
"formula_reduced": "PrMg(NiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.88576847,
"spacegroup": 31
},
{
"id": "jvasp-97488",
"created_at": "2022-09-04T14:36:12.104361Z",
"updated_at": "2022-09-04T14:36:12.104387Z",
"structure_string": "La4 Ga4 O12\n1.0\n5.551397 0.000000 0.000000\n-0.000000 5.554709 0.000000\n0.000000 0.000000 7.847768\nLa Ga O\n4 4 12\ndirect\n0.506437 0.529951 0.250000 La\n0.993564 0.029951 0.250000 La\n0.493563 0.470049 0.750000 La\n0.006437 0.970049 0.750000 La\n0.000000 0.500000 0.000000 Ga\n0.500000 0.000000 0.000000 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.926667 0.512372 0.750000 O\n0.426667 0.987628 0.250000 O\n0.718180 0.282433 0.460686 O\n0.718180 0.282433 0.039315 O\n0.218179 0.217567 0.960686 O\n0.781821 0.782433 0.460686 O\n0.281821 0.717567 0.539315 O\n0.281821 0.717567 0.960686 O\n0.781821 0.782433 0.039315 O\n0.218179 0.217567 0.539315 O\n0.073334 0.487628 0.250000 O\n0.573334 0.012372 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"La",
"Ga",
"O"
],
"chemical_system": "Ga-La-O",
"density": 7.043704422283948,
"density_atomic": 0.0826456960172675,
"volume": 241.9968729626443,
"volume_molar": 7.286696162304411,
"formula_full": "La4 Ga4 O12",
"formula_reduced": "LaGaO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.2600635649999998,
"spacegroup": 62
},
{
"id": "jvasp-45671",
"created_at": "2022-09-04T14:36:34.385478Z",
"updated_at": "2022-09-04T14:36:34.385499Z",
"structure_string": "Pr2 Zn2 Bi4 O12\n1.0\n0.000000 6.508658 -0.000795\n5.703384 0.000000 0.000000\n0.000000 -0.000875 -8.557640\nPr Zn Bi O\n2 2 4 12\ndirect\n0.836843 0.036977 0.249996 Pr\n0.163158 0.536977 0.750005 Pr\n0.101457 0.527127 0.249995 Zn\n0.898544 0.027127 0.750006 Zn\n0.283634 0.008565 0.008064 Bi\n0.283628 0.008563 0.491929 Bi\n0.716373 0.508562 0.508071 Bi\n0.716367 0.508565 0.991936 Bi\n0.957023 0.810841 0.925850 O\n0.410844 0.658817 0.564937 O\n0.410846 0.658813 0.935059 O\n0.763705 0.628935 0.250005 O\n0.810080 0.350522 0.750004 O\n0.589155 0.158814 0.064941 O\n0.042976 0.310835 0.425840 O\n0.589157 0.158818 0.435064 O\n0.957025 0.810835 0.574161 O\n0.236297 0.128936 0.749995 O\n0.042978 0.310842 0.074151 O\n0.189922 0.850521 0.249997 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Pr",
"Zn",
"Bi",
"O"
],
"chemical_system": "Bi-O-Pr-Zn",
"density": 7.530063832623938,
"density_atomic": 0.0629581434165872,
"volume": 317.6713752129279,
"volume_molar": 9.565308684775134,
"formula_full": "Pr2 Zn2 Bi4 O12",
"formula_reduced": "PrZn(BiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.7787429850000005,
"spacegroup": 31
}
]
}