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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=115",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=113",
"results": [
{
"id": "jvasp-43151",
"created_at": "2022-09-04T14:36:47.556148Z",
"updated_at": "2022-09-04T14:36:47.556166Z",
"structure_string": "Li6 Si2 Ni2 O10\n1.0\n4.964600 0.022366 -0.006667\n1.528357 5.300212 0.000742\n1.734559 0.987828 6.104321\nLi Si Ni O\n6 2 2 10\ndirect\n0.486925 0.252855 0.004562 Li\n0.301921 0.448544 0.404114 Li\n0.294758 0.950561 0.405343 Li\n0.705243 0.049440 0.594656 Li\n0.698080 0.551457 0.595885 Li\n0.513076 0.747146 0.995437 Li\n0.901854 0.845313 0.219773 Si\n0.098147 0.154688 0.780226 Si\n0.099815 0.651577 0.793485 Ni\n0.900186 0.348424 0.206514 Ni\n0.358146 0.340251 0.719162 O\n0.639382 0.129633 0.279962 O\n0.641855 0.659749 0.280837 O\n0.157024 0.052823 0.093264 O\n0.996263 0.761115 0.467894 O\n0.161423 0.568492 0.112344 O\n0.838578 0.431509 0.887655 O\n0.003738 0.238886 0.532105 O\n0.842977 0.947178 0.906735 O\n0.360619 0.870368 0.720037 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Si",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O-Si",
"density": 3.8826672079078213,
"density_atomic": 0.12463808934027541,
"volume": 160.4645907672561,
"volume_molar": 4.831701762981064,
"formula_full": "Li6 Si2 Ni2 O10",
"formula_reduced": "Li3SiNiO5",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 1.9799128500000005,
"spacegroup": 2
},
{
"id": "jvasp-12909",
"created_at": "2022-09-04T14:36:47.869741Z",
"updated_at": "2022-09-04T14:36:47.869755Z",
"structure_string": "P12 Ru4\n1.0\n5.942021 -0.008682 0.004132\n1.784169 5.728670 0.005306\n2.763221 2.253785 7.369896\nP Ru\n12 4\ndirect\n0.829591 0.082807 0.319389 P\n0.170408 0.917192 0.680612 P\n0.193438 0.528954 0.447713 P\n0.806562 0.471046 0.552288 P\n0.340260 0.217889 0.657062 P\n0.659740 0.782110 0.342939 P\n0.678060 0.662357 0.765860 P\n0.321939 0.337642 0.234141 P\n0.682614 0.052744 0.941002 P\n0.317386 0.947255 0.058999 P\n0.152597 0.316793 0.913982 P\n0.847403 0.683207 0.086018 P\n0.276908 0.633506 0.956182 Ru\n0.723092 0.366493 0.043818 Ru\n0.227107 0.930898 0.371840 Ru\n0.772893 0.069101 0.628161 Ru\n",
"nsites": 16,
"nelements": 2,
"elements": [
"P",
"Ru"
],
"chemical_system": "P-Ru",
"density": 5.136319539585434,
"density_atomic": 0.06377944062170131,
"volume": 250.86453948227185,
"volume_molar": 9.442134802842617,
"formula_full": "P12 Ru4",
"formula_reduced": "P3Ru",
"formula_anonymous": "AB3",
"energy_above_hull": 3.222859250000001,
"spacegroup": 2
},
{
"id": "jvasp-48614",
"created_at": "2022-09-04T14:36:47.837261Z",
"updated_at": "2022-09-04T14:36:47.837288Z",
"structure_string": "Na2 Ni5 O10\n1.0\n4.920498 0.001982 -0.010952\n-1.566603 6.240340 0.043305\n-0.824073 -2.984570 6.311503\nNa Ni O\n2 5 10\ndirect\n0.121427 0.734064 0.231486 Na\n0.878574 0.265936 0.768513 Na\n0.102386 0.203161 0.199181 Ni\n0.500000 -0.000000 0.000000 Ni\n0.897615 0.796838 0.800818 Ni\n0.298554 0.596794 0.602535 Ni\n0.701448 0.403205 0.397464 Ni\n0.988478 0.704073 0.531265 O\n0.613223 0.491818 0.668849 O\n0.415638 0.099807 0.267752 O\n0.805395 0.318982 0.130170 O\n0.819188 0.899522 0.074328 O\n0.194606 0.681017 0.869829 O\n0.386779 0.508181 0.331150 O\n0.180814 0.100478 0.925671 O\n0.584364 0.900192 0.732247 O\n0.011523 0.295926 0.468734 O\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Na",
"Ni",
"O"
],
"chemical_system": "Na-Ni-O",
"density": 4.267333305656571,
"density_atomic": 0.08747271349479982,
"volume": 194.34632036435724,
"volume_molar": 6.884593514248317,
"formula_full": "Na2 Ni5 O10",
"formula_reduced": "Na2(NiO2)5",
"formula_anonymous": "A2B5C10",
"energy_above_hull": 1.9879038235294115,
"spacegroup": 2
},
{
"id": "jvasp-51022",
"created_at": "2022-09-04T14:36:48.992956Z",
"updated_at": "2022-09-04T14:36:48.992973Z",
"structure_string": "Ba2 H8 O6\n1.0\n4.163516 -0.017239 0.131729\n0.063455 6.250887 0.107903\n0.275189 2.429999 6.566758\nBa H O\n2 8 6\ndirect\n0.732343 0.137205 0.709716 Ba\n0.274021 0.852819 0.286509 Ba\n0.248273 0.378915 0.902179 H\n0.758102 0.611089 0.094081 H\n0.150479 0.767917 0.858999 H\n0.855863 0.222098 0.137228 H\n0.467182 0.316864 0.318353 H\n0.078015 0.321105 0.326672 H\n0.928313 0.668922 0.669556 H\n0.539150 0.673153 0.677887 H\n0.270234 0.377596 0.378573 O\n0.736087 0.612425 0.617668 O\n0.202827 0.216861 0.929237 O\n0.803509 0.773156 0.066993 O\n0.234132 0.806841 0.714492 O\n0.772193 0.183200 0.281730 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"H",
"O"
],
"chemical_system": "Ba-H-O",
"density": 3.7076722368534973,
"density_atomic": 0.09433241475778634,
"volume": 169.61295903515855,
"volume_molar": 6.383956962686491,
"formula_full": "Ba2 H8 O6",
"formula_reduced": "BaH4O3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.31864705875,
"spacegroup": 2
},
{
"id": "jvasp-149",
"created_at": "2022-09-04T14:36:48.077046Z",
"updated_at": "2022-09-04T14:36:48.077082Z",
"structure_string": "Tc4 S8\n1.0\n6.419970 0.001940 -0.009854\n3.149870 5.706772 0.034977\n1.585691 2.551710 6.021396\nTc S\n4 8\ndirect\n0.511500 0.285377 0.502457 Tc\n0.488500 0.714622 0.497545 Tc\n0.938183 0.308500 0.509095 Tc\n0.061817 0.691499 0.490907 Tc\n0.321262 0.185127 0.302904 S\n0.678738 0.814872 0.697097 S\n0.857338 0.169853 0.276573 S\n0.142662 0.830146 0.723429 S\n0.361335 0.690045 0.212587 S\n0.638665 0.309954 0.787415 S\n0.824443 0.718166 0.240509 S\n0.175557 0.281832 0.759493 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Tc",
"S"
],
"chemical_system": "S-Tc",
"density": 4.894788967991219,
"density_atomic": 0.05454346789476023,
"volume": 220.00801311632023,
"volume_molar": 11.040993527620056,
"formula_full": "Tc4 S8",
"formula_reduced": "TcS2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.5031738333333333,
"spacegroup": 2
},
{
"id": "jvasp-11746",
"created_at": "2022-09-04T14:36:48.312206Z",
"updated_at": "2022-09-04T14:36:48.312225Z",
"structure_string": "Na8 Fe2 O8\n1.0\n5.757514 -0.025095 -0.062578\n-2.019670 -5.386052 0.025904\n-2.498708 0.662782 -7.722681\nNa Fe O\n8 2 8\ndirect\n0.405718 0.209457 0.367471 Na\n0.594281 0.790542 0.632530 Na\n0.796807 0.736819 0.016286 Na\n0.203192 0.263181 0.983715 Na\n0.954045 0.723654 0.431351 Na\n0.045954 0.276345 0.568650 Na\n0.751650 0.228404 0.163667 Na\n0.248349 0.771595 0.836334 Na\n0.409895 0.719795 0.251642 Fe\n0.590104 0.280204 0.748359 Fe\n0.242883 0.900726 0.110941 O\n0.757116 0.099273 0.889060 O\n0.689541 0.970351 0.383128 O\n0.310458 0.029648 0.616873 O\n0.429515 0.475138 0.798060 O\n0.570484 0.524862 0.201941 O\n0.165151 0.493023 0.326468 O\n0.834848 0.506976 0.673532 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Na",
"Fe",
"O"
],
"chemical_system": "Fe-Na-O",
"density": 2.9223200258581348,
"density_atomic": 0.07478109006585383,
"volume": 240.70256242786533,
"volume_molar": 8.053026179073848,
"formula_full": "Na8 Fe2 O8",
"formula_reduced": "Na4FeO4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 1.1659683888888883,
"spacegroup": 2
},
{
"id": "jvasp-48617",
"created_at": "2022-09-04T14:36:48.784486Z",
"updated_at": "2022-09-04T14:36:48.784503Z",
"structure_string": "Li6 Mn2 F10\n1.0\n5.049349 0.116840 0.027942\n-2.159727 5.152979 -0.030903\n-2.382490 -2.032924 7.109661\nLi Mn F\n6 2 10\ndirect\n0.682733 0.455785 0.908867 Li\n0.330645 0.973414 0.697873 Li\n0.939060 0.564113 0.297480 Li\n0.060940 0.435888 0.702520 Li\n0.669355 0.026588 0.302128 Li\n0.317267 0.544216 0.091133 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500001 0.500000 Mn\n0.252032 0.249822 0.860912 F\n0.365893 0.737997 0.331365 F\n0.119803 0.701719 0.926539 F\n0.446274 0.252274 0.239425 F\n0.954899 0.716199 0.537676 F\n0.634108 0.262004 0.668635 F\n0.747968 0.750179 0.139088 F\n0.045101 0.283802 0.462324 F\n0.880197 0.298282 0.073461 F\n0.553726 0.747727 0.760575 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.033529035320146,
"density_atomic": 0.09628820048445438,
"volume": 186.93879322114944,
"volume_molar": 6.254287368234977,
"formula_full": "Li6 Mn2 F10",
"formula_reduced": "Li3MnF5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 0.4160654059865899,
"spacegroup": 2
},
{
"id": "jvasp-103874",
"created_at": "2022-09-04T14:36:48.957563Z",
"updated_at": "2022-09-04T14:36:48.957584Z",
"structure_string": "Sn1 H10 C10 O4\n1.0\n4.572614 0.015582 1.064623\n1.242291 6.332212 -0.053766\n0.046925 -0.248806 8.526456\nSn H C O\n1 10 10 4\ndirect\n0.532878 0.226721 0.837080 Sn\n0.232665 0.911775 0.916031 H\n0.605735 0.843805 0.946272 H\n0.319341 0.024362 0.090956 H\n0.833064 0.541675 0.758062 H\n0.459975 0.609610 0.727839 H\n0.746361 0.429037 0.583166 H\n0.681741 0.068495 0.387777 H\n0.986967 0.810165 0.157663 H\n0.383949 0.385013 0.286318 H\n0.078740 0.643327 0.516439 H\n0.885975 0.430133 0.069145 C\n0.277215 0.678607 0.436875 C\n0.447983 0.534643 0.309442 C\n0.704915 0.582150 0.208627 C\n0.788485 0.774894 0.237227 C\n0.660946 0.485862 0.710973 C\n0.360792 0.871347 0.465479 C\n0.179771 0.023343 0.604987 C\n0.404774 0.967563 0.963145 C\n0.617710 0.918862 0.364655 C\n0.779477 0.272436 0.030605 O\n0.140116 0.465876 -0.004091 O\n0.286267 0.181041 0.643523 O\n0.925667 0.987567 0.678258 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 2.111999756896188,
"density_atomic": 0.10162195364492413,
"volume": 246.00983452209704,
"volume_molar": 5.926023407345503,
"formula_full": "Sn1 H10 C10 O4",
"formula_reduced": "SnH10(C5O2)2",
"formula_anonymous": "AB4C10D10",
"energy_above_hull": 4.897765028,
"spacegroup": 2
},
{
"id": "jvasp-52314",
"created_at": "2022-09-04T14:36:49.163159Z",
"updated_at": "2022-09-04T14:36:49.163194Z",
"structure_string": "Li2 Cu2 C2 O6\n1.0\n3.550881 0.020596 -0.381706\n-0.623539 -4.456754 0.310720\n0.861091 0.669024 -8.556231\nLi Cu C O\n2 2 2 6\ndirect\n0.839821 0.189104 0.634423 Li\n0.160139 0.810833 0.365465 Li\n-0.000020 0.499967 0.999938 Cu\n0.499972 -0.000022 0.999938 Cu\n0.214962 0.769630 0.716177 C\n0.784999 0.230306 0.283700 C\n0.058281 0.524655 0.779788 O\n0.149362 0.812505 0.583583 O\n0.439023 0.977855 0.790185 O\n0.941683 0.475278 0.220085 O\n0.850585 0.187433 0.416299 O\n0.560939 0.022071 0.209694 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Cu",
"C",
"O"
],
"chemical_system": "C-Cu-Li-O",
"density": 3.2522491571644174,
"density_atomic": 0.09005111525099475,
"volume": 133.2576500196919,
"volume_molar": 6.687469381378345,
"formula_full": "Li2 Cu2 C2 O6",
"formula_reduced": "LiCuCO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 2.260570158333333,
"spacegroup": 2
},
{
"id": "jvasp-52879",
"created_at": "2022-09-04T14:36:49.279662Z",
"updated_at": "2022-09-04T14:36:49.279690Z",
"structure_string": "V4 Ni1 S8\n1.0\n6.408846 0.017178 0.042765\n-3.064478 5.731476 0.029888\n-1.706793 -2.723367 5.596131\nV Ni S\n4 1 8\ndirect\n0.792506 0.295756 0.514068 V\n0.208348 0.704150 0.484902 V\n0.223591 0.709201 0.976713 V\n0.777300 0.290715 0.022247 V\n0.000463 -0.000036 0.999486 Ni\n0.697335 0.973971 0.668350 S\n0.303543 0.025945 0.330626 S\n0.226289 0.444232 0.667304 S\n0.774566 0.555665 0.331649 S\n0.710303 0.969584 0.170731 S\n0.777016 0.549908 0.828146 S\n0.223865 0.450019 0.170825 S\n0.290585 0.030336 0.828237 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"V",
"Ni",
"S"
],
"chemical_system": "Ni-S-V",
"density": 4.160230309372349,
"density_atomic": 0.06275690380664736,
"volume": 207.14852408991868,
"volume_molar": 9.595981309967241,
"formula_full": "V4 Ni1 S8",
"formula_reduced": "V4NiS8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.106146861538462,
"spacegroup": 2
},
{
"id": "jvasp-101991",
"created_at": "2022-09-04T14:36:49.413685Z",
"updated_at": "2022-09-04T14:36:49.413713Z",
"structure_string": "H18 C12\n1.0\n5.100302 0.029966 -0.723876\n-1.377816 5.717869 -1.395202\n-0.026743 -0.015563 7.808125\nH C\n18 12\ndirect\n0.474811 0.313519 0.034104 H\n0.760988 0.103571 0.215487 H\n0.239011 0.896431 0.784514 H\n0.665443 0.954053 0.374878 H\n0.970457 0.170100 0.428460 H\n0.029543 0.829901 0.571541 H\n0.824624 0.378922 0.876829 H\n0.175375 0.621079 0.123171 H\n0.081902 0.423826 0.751071 H\n0.334557 0.045948 0.625122 H\n0.845798 0.152888 0.693662 H\n0.154202 0.847114 0.306339 H\n0.652714 0.937639 0.897057 H\n0.347286 0.062362 0.102944 H\n0.861984 0.747326 0.934882 H\n0.138016 0.252675 0.065119 H\n0.525189 0.686482 0.965896 H\n0.918098 0.576175 0.248929 H\n0.867861 0.342240 0.740967 C\n0.132139 0.657761 0.259034 C\n0.656052 0.753148 0.880049 C\n0.343948 0.246853 0.119952 C\n0.618173 0.314604 0.431307 C\n0.568909 0.617241 0.684393 C\n0.681626 0.428025 0.616323 C\n0.318374 0.571977 0.383678 C\n0.431091 0.382760 0.315608 C\n0.240498 0.874476 0.641446 C\n0.381826 0.685397 0.568693 C\n0.759502 0.125525 0.358555 C\n",
"nsites": 30,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.1829026222780075,
"density_atomic": 0.13169806160188452,
"volume": 227.79378553564618,
"volume_molar": 4.572687469163044,
"formula_full": "H18 C12",
"formula_reduced": "H3C2",
"formula_anonymous": "A2B3",
"energy_above_hull": 4.194135999999999,
"spacegroup": 2
},
{
"id": "jvasp-21363",
"created_at": "2022-09-04T14:36:49.701074Z",
"updated_at": "2022-09-04T14:36:49.701084Z",
"structure_string": "Ti2 P4 O14\n1.0\n6.375687 -0.275954 0.147365\n-0.364824 -6.467639 0.180537\n-3.027838 0.365166 -6.256163\nTi P O\n2 4 14\ndirect\n0.096190 0.342312 0.202153 Ti\n0.903811 0.657687 0.797847 Ti\n0.321213 0.630194 0.659053 P\n0.678788 0.369805 0.340947 P\n0.223834 0.856610 0.283842 P\n0.776167 0.143389 0.716158 P\n0.942400 0.330566 0.875009 O\n0.082437 0.057720 0.219888 O\n0.229098 0.438328 0.497941 O\n0.785413 0.182627 0.492344 O\n0.589872 0.649803 0.776680 O\n0.057601 0.669433 0.124991 O\n0.917563 0.942279 0.780111 O\n0.214588 0.817372 0.507656 O\n0.780949 0.363302 0.182375 O\n0.459604 0.861645 0.297055 O\n0.540397 0.138354 0.702945 O\n0.410129 0.350196 0.223319 O\n0.219052 0.636697 0.817625 O\n0.770902 0.561671 0.502059 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ti",
"P",
"O"
],
"chemical_system": "O-P-Ti",
"density": 2.883937980000305,
"density_atomic": 0.07829879219090691,
"volume": 255.43178177303562,
"volume_molar": 7.691230722074114,
"formula_full": "Ti2 P4 O14",
"formula_reduced": "TiP2O7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 2.9446973833333328,
"spacegroup": 2
}
]
}