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=4397",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4395",
"results": [
{
"id": "jvasp-98803",
"created_at": "2022-09-04T14:38:07.801545Z",
"updated_at": "2022-09-04T14:38:07.801573Z",
"structure_string": "Li2 V6 Te4 O24\n1.0\n6.197119 -0.031710 -0.342787\n-1.832226 6.874078 -0.262933\n0.022107 0.033744 10.710575\nLi V Te O\n2 6 4 24\ndirect\n0.794379 0.759188 0.107399 Li\n0.205621 0.240812 0.892602 Li\n0.379884 0.802857 0.582427 V\n0.620110 0.230687 0.079448 V\n0.379890 0.769313 0.920552 V\n0.661861 0.219318 0.751537 V\n0.620116 0.197143 0.417573 V\n0.338139 0.780681 0.248464 V\n0.838172 0.776692 0.406664 Te\n0.140421 0.183159 0.214112 Te\n0.161828 0.223308 0.593336 Te\n0.859579 0.816841 0.785888 Te\n0.521886 0.161036 0.254233 O\n0.358373 0.269274 0.458152 O\n0.376266 0.280853 0.734441 O\n0.146641 0.877649 0.883487 O\n0.853359 0.122351 0.116514 O\n0.414913 0.839336 0.083280 O\n0.623734 0.719147 0.265560 O\n0.741621 0.461972 0.091047 O\n0.621339 0.121180 0.592665 O\n0.827545 0.438438 0.753401 O\n0.910878 0.100597 0.786625 O\n0.200456 0.588348 0.575679 O\n0.148038 0.942953 0.595146 O\n0.851962 0.057047 0.404854 O\n0.799544 0.411651 0.424321 O\n0.172455 0.561562 0.246600 O\n0.641627 0.730726 0.541848 O\n0.700300 0.775364 0.934706 O\n0.299700 0.224636 0.065294 O\n0.378661 0.878820 0.407336 O\n0.478114 0.838964 0.745768 O\n0.089121 0.899403 0.213376 O\n0.258378 0.538027 0.908954 O\n0.585087 0.160664 0.916720 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Li",
"V",
"Te",
"O"
],
"chemical_system": "Li-O-Te-V",
"density": 4.422737617428121,
"density_atomic": 0.07898701982430453,
"volume": 455.7710884658886,
"volume_molar": 7.624215691888871,
"formula_full": "Li2 V6 Te4 O24",
"formula_reduced": "LiV3(TeO6)2",
"formula_anonymous": "AB2C3D12",
"energy_above_hull": 2.996192785185185,
"spacegroup": 2
},
{
"id": "jvasp-24630",
"created_at": "2022-09-04T14:37:18.607856Z",
"updated_at": "2022-09-04T14:37:18.607874Z",
"structure_string": "Hg6 Te4 Br4\n1.0\n7.917520 0.000000 -2.799266\n-3.958760 6.856773 -2.799266\n-0.000000 0.000000 8.397798\nHg Te Br\n6 4 4\ndirect\n0.750000 0.940242 0.190242 Hg\n0.309758 0.250000 0.559757 Hg\n0.559758 0.309757 0.250000 Hg\n0.190243 0.750000 0.940242 Hg\n0.940242 0.190243 0.750000 Hg\n0.250000 0.559757 0.309757 Hg\n0.941763 0.500000 -0.000001 Te\n0.500000 -0.000000 0.941763 Te\n0.558237 0.558237 0.558237 Te\n-0.000000 0.941762 0.499999 Te\n0.468120 0.500000 -0.000001 Br\n0.500000 -0.000000 0.468120 Br\n-0.000000 0.468120 0.500000 Br\n0.031880 0.031880 0.031880 Br\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Hg",
"Te",
"Br"
],
"chemical_system": "Br-Hg-Te",
"density": 7.406804281715406,
"density_atomic": 0.03070815122590451,
"volume": 455.90501026939074,
"volume_molar": 19.61088675022512,
"formula_full": "Hg6 Te4 Br4",
"formula_reduced": "Hg3(TeBr)2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 0.0,
"spacegroup": 199
},
{
"id": "jvasp-35112",
"created_at": "2022-09-04T14:37:42.293827Z",
"updated_at": "2022-09-04T14:37:42.293847Z",
"structure_string": "Ba6 Ca4 Si4 N12\n1.0\n4.956749 3.429990 -1.033020\n4.956749 -3.429990 -1.033020\n0.005290 0.000000 -13.412294\nBa Ca Si N\n6 4 4 12\ndirect\n0.404474 0.595526 0.250000 Ba\n0.595526 0.404474 0.750000 Ba\n0.798580 0.323285 0.007062 Ba\n0.676716 0.201421 0.492938 Ba\n0.201421 0.676716 0.992938 Ba\n0.323285 0.798580 0.507061 Ba\n0.091707 0.211341 0.282249 Ca\n0.788660 0.908294 0.217751 Ca\n0.908294 0.788660 0.717751 Ca\n0.211341 0.091707 0.782249 Ca\n0.630320 0.928374 0.920035 Si\n0.071626 0.369681 0.579964 Si\n0.928374 0.630320 0.420036 Si\n0.369681 0.071626 0.079964 Si\n0.227716 0.436809 0.661532 N\n0.983786 0.890203 0.369711 N\n0.109797 0.016214 0.130288 N\n0.016214 0.109797 0.630288 N\n0.890203 0.983786 0.869711 N\n0.197479 0.377006 0.446469 N\n0.622994 0.802522 0.053531 N\n0.802522 0.622994 0.553531 N\n0.377006 0.197479 0.946468 N\n0.772284 0.563192 0.338468 N\n0.436809 0.227716 0.161532 N\n0.563192 0.772284 0.838468 N\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Ba",
"Ca",
"Si",
"N"
],
"chemical_system": "Ba-Ca-N-Si",
"density": 4.60519726211273,
"density_atomic": 0.057014616305496715,
"volume": 456.0234144291412,
"volume_molar": 10.562450736723475,
"formula_full": "Ba6 Ca4 Si4 N12",
"formula_reduced": "Ba3Ca2(SiN3)2",
"formula_anonymous": "A2B2C3D6",
"energy_above_hull": 3.2730911884615383,
"spacegroup": 15
},
{
"id": "jvasp-59409",
"created_at": "2022-09-04T14:38:06.627029Z",
"updated_at": "2022-09-04T14:38:06.627054Z",
"structure_string": "Zn4 Bi4 As4 O20\n1.0\n7.629750 0.000000 0.000000\n0.000000 6.852818 0.000000\n0.000000 0.000000 8.724922\nZn Bi As O\n4 4 4 20\ndirect\n-0.031312 0.617442 0.205169 Zn\n0.531312 0.382559 0.705169 Zn\n0.031312 0.117442 0.294831 Zn\n0.468688 0.882559 0.794831 Zn\n0.284755 0.677169 0.491955 Bi\n0.215245 0.322832 -0.008045 Bi\n0.715245 0.177169 0.008045 Bi\n0.784755 0.822832 0.508045 Bi\n0.961398 0.340026 0.638153 As\n0.538602 0.659975 0.138153 As\n0.461398 0.159975 0.361847 As\n0.038602 0.840026 0.861847 As\n0.339802 0.640497 0.227686 O\n0.477886 0.162536 0.841882 O\n0.022114 0.837465 0.341882 O\n0.790905 0.338531 0.766323 O\n0.709095 0.661469 0.266323 O\n0.209095 0.838531 0.733677 O\n0.290905 0.161469 0.233677 O\n0.160198 0.359503 0.727685 O\n0.839802 0.859503 0.772314 O\n-0.050999 0.543867 0.521298 O\n0.952044 0.140872 0.518868 O\n0.547956 0.859129 0.018868 O\n0.047956 0.640872 0.981132 O\n0.452044 0.359128 0.481132 O\n-0.022114 0.337464 0.158118 O\n0.550999 0.456133 0.021298 O\n0.050999 0.043867 0.978701 O\n0.449001 0.956134 0.478701 O\n0.660198 0.140497 0.272314 O\n0.522114 0.662536 0.658118 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Zn",
"Bi",
"As",
"O"
],
"chemical_system": "As-Bi-O-Zn",
"density": 6.250820265473041,
"density_atomic": 0.07014697050536758,
"volume": 456.1850607297629,
"volume_molar": 8.585033276011814,
"formula_full": "Zn4 Bi4 As4 O20",
"formula_reduced": "ZnBiAsO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 1.81922799375,
"spacegroup": 19
},
{
"id": "jvasp-120455",
"created_at": "2022-09-04T14:38:38.359289Z",
"updated_at": "2022-09-04T14:38:38.359314Z",
"structure_string": "Er6 Al7 Cu16\n1.0\n7.483450 -0.000000 4.320572\n2.494483 7.055465 4.320572\n0.000000 -0.000000 8.641144\nEr Al Cu\n6 7 16\ndirect\n0.710543 0.710543 0.289457 Er\n0.289457 0.710543 0.289457 Er\n0.710543 0.289457 0.289457 Er\n0.289457 0.289457 0.710543 Er\n0.710543 0.289457 0.710543 Er\n0.289457 0.710543 0.710543 Er\n0.500000 0.000000 -0.000000 Al\n-0.000000 0.500000 0.000000 Al\n0.500000 0.500000 -0.000000 Al\n-0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.328240 0.015280 0.328240 Cu\n0.328240 0.328240 0.015280 Cu\n0.671760 0.671759 0.671759 Cu\n0.984719 0.671759 0.671759 Cu\n0.671760 0.984719 0.671760 Cu\n0.671760 0.671759 0.984719 Cu\n0.120980 0.120980 0.120980 Cu\n0.879020 0.362940 0.879019 Cu\n0.120980 0.637060 0.120980 Cu\n0.120980 0.120980 0.637060 Cu\n0.879019 0.879019 0.879019 Cu\n0.362940 0.879019 0.879019 Cu\n0.015280 0.328240 0.328240 Cu\n0.879019 0.879019 0.362940 Cu\n0.637060 0.120980 0.120980 Cu\n0.328240 0.328240 0.328240 Cu\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Er",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Er",
"density": 8.040400360849867,
"density_atomic": 0.06356224856428727,
"volume": 456.24565925589013,
"volume_molar": 9.474398555786095,
"formula_full": "Er6 Al7 Cu16",
"formula_reduced": "Er6Al7Cu16",
"formula_anonymous": "A6B7C16",
"energy_above_hull": 0.5729840275862069,
"spacegroup": 225
},
{
"id": "jvasp-24650",
"created_at": "2022-09-04T14:37:07.680344Z",
"updated_at": "2022-09-04T14:37:07.680365Z",
"structure_string": "Ba4 Hg4 S8\n1.0\n4.251001 0.000000 0.000000\n0.000000 7.396571 0.000000\n0.000000 0.000000 14.514128\nBa Hg S\n4 4 8\ndirect\n0.000000 0.005991 0.898348 Ba\n0.000000 0.681071 0.609009 Ba\n0.000000 0.505990 0.101653 Ba\n0.000000 0.181071 0.390991 Ba\n0.500000 0.662704 0.353116 Hg\n0.500000 0.162704 0.646884 Hg\n0.500000 0.003634 0.143234 Hg\n0.500000 0.503634 0.856766 Hg\n0.500000 0.389507 0.530331 S\n0.500000 0.889507 0.469669 S\n0.000000 0.886882 0.224774 S\n0.000000 0.386882 0.775226 S\n0.500000 0.395395 0.261673 S\n0.500000 0.731217 0.983860 S\n0.500000 0.231217 0.016140 S\n0.500000 0.895395 0.738327 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Hg",
"S"
],
"chemical_system": "Ba-Hg-S",
"density": 5.851582444239015,
"density_atomic": 0.035059635475583766,
"volume": 456.3652697171573,
"volume_molar": 17.17684932632554,
"formula_full": "Ba4 Hg4 S8",
"formula_reduced": "BaHgS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1638701425000001,
"spacegroup": 26
},
{
"id": "jvasp-22972",
"created_at": "2022-09-04T14:37:31.963434Z",
"updated_at": "2022-09-04T14:37:31.963444Z",
"structure_string": "Na2 Mg8 As6 O24\n1.0\n6.525720 0.000000 -2.179196\n-0.727720 6.485017 -2.179196\n-0.018978 -0.021227 10.803575\nNa Mg As O\n2 8 6 24\ndirect\n0.250000 0.750000 0.499999 Na\n0.500000 0.500000 -0.000000 Na\n0.875000 0.881581 0.249999 Mg\n0.375000 0.368419 0.250000 Mg\n0.118419 0.625000 0.749999 Mg\n0.520699 0.020699 0.041398 Mg\n0.979301 0.479301 0.958601 Mg\n0.229301 0.229301 0.458601 Mg\n0.770699 0.770699 0.541398 Mg\n0.631581 0.125000 0.749999 Mg\n0.000000 0.000000 0.000000 As\n0.375000 0.781397 0.250000 As\n0.531397 0.625000 0.749999 As\n0.218603 0.125000 0.749999 As\n0.875000 0.468603 0.249999 As\n0.750000 0.250000 0.499999 As\n0.318058 0.105541 0.618134 O\n0.300076 0.512594 0.618134 O\n0.262594 0.550076 0.118134 O\n0.894459 0.699924 0.381865 O\n0.736474 0.085556 0.588637 O\n0.449924 0.144459 0.881865 O\n0.852164 0.503081 0.588637 O\n0.253081 0.102164 0.088638 O\n0.914444 0.147836 0.411362 O\n0.496919 0.263526 0.411362 O\n0.013526 0.746919 0.911362 O\n0.897836 0.164444 0.911361 O\n0.835556 0.986474 0.088637 O\n0.431941 0.737406 0.881865 O\n0.071793 0.892512 0.697300 O\n0.554788 0.875508 0.197300 O\n0.107488 0.374492 0.302699 O\n0.195212 0.928208 0.302699 O\n0.678207 0.445212 0.802698 O\n0.124492 0.357488 0.802699 O\n0.642511 0.321793 0.197300 O\n0.855541 0.568059 0.118134 O\n0.625508 0.804788 0.697300 O\n0.487406 0.681942 0.381865 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Na",
"Mg",
"As",
"O"
],
"chemical_system": "As-Mg-Na-O",
"density": 3.9056543130423242,
"density_atomic": 0.08760457855272576,
"volume": 456.597139793619,
"volume_molar": 6.874230616126428,
"formula_full": "Na2 Mg8 As6 O24",
"formula_reduced": "NaMg4(AsO4)3",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 1.8995811225,
"spacegroup": 122
},
{
"id": "jvasp-112323",
"created_at": "2022-09-04T14:38:26.578212Z",
"updated_at": "2022-09-04T14:38:26.578222Z",
"structure_string": "Na2 Cr2 P4 S12\n1.0\n10.964777 0.046901 4.441477\n9.021827 6.197667 2.341713\n0.019804 -0.062693 6.783190\nNa Cr P S\n2 2 4 12\ndirect\n0.333967 0.333967 0.666033 Na\n0.583966 0.583968 0.916033 Na\n0.000521 0.000521 -0.000521 Cr\n0.250521 0.250521 0.249479 Cr\n0.105013 0.216434 0.012789 P\n0.216433 0.105014 0.665764 P\n0.237211 0.584236 0.144987 P\n0.584236 0.237211 0.033566 P\n0.966484 0.373589 0.566541 S\n0.373588 0.966485 0.093386 S\n0.780205 0.197485 0.777423 S\n0.197484 0.780206 0.244887 S\n0.472577 0.005113 0.469795 S\n0.295891 0.857182 0.682285 S\n0.567714 0.085359 0.954109 S\n0.085358 0.567715 0.392818 S\n0.156613 0.683460 0.876411 S\n0.857182 0.295891 0.164642 S\n0.005112 0.472577 0.052516 S\n0.683459 0.156613 0.283516 S\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Na",
"Cr",
"P",
"S"
],
"chemical_system": "Cr-Na-P-S",
"density": 2.3951058999109107,
"density_atomic": 0.04379787516974563,
"volume": 456.64315728758123,
"volume_molar": 13.749846851383172,
"formula_full": "Na2 Cr2 P4 S12",
"formula_reduced": "NaCr(PS3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.50328674,
"spacegroup": 43
},
{
"id": "jvasp-105611",
"created_at": "2022-09-04T14:36:14.448957Z",
"updated_at": "2022-09-04T14:36:14.448983Z",
"structure_string": "K1 Rb2 Sc1 I6\n1.0\n7.485662 -0.000000 4.321849\n2.495221 7.057550 4.321849\n0.000000 0.000000 8.643699\nK Rb Sc I\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.765852 0.234148 0.234148 I\n0.234148 0.234148 0.765852 I\n0.234148 0.765852 0.765852 I\n0.234148 0.765852 0.234148 I\n0.765852 0.234148 0.765852 I\n0.765852 0.765852 0.234148 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Sc",
"I"
],
"chemical_system": "I-K-Rb-Sc",
"density": 3.6960432813141613,
"density_atomic": 0.021898591780243597,
"volume": 456.6503682223881,
"volume_molar": 27.50012795541052,
"formula_full": "K1 Rb2 Sc1 I6",
"formula_reduced": "KRb2ScI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-103206",
"created_at": "2022-09-04T14:36:38.898410Z",
"updated_at": "2022-09-04T14:36:38.898440Z",
"structure_string": "Rb3 Al1 I6\n1.0\n7.485691 -0.000000 4.321866\n2.495231 7.057577 4.321866\n-0.000000 -0.000000 8.643732\nRb Al I\n3 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Al\n0.774466 0.225534 0.225534 I\n0.225534 0.225534 0.774466 I\n0.225534 0.774467 0.774467 I\n0.225534 0.774467 0.225534 I\n0.774466 0.225534 0.774467 I\n0.774466 0.774467 0.225534 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Al",
"I"
],
"chemical_system": "Al-I-Rb",
"density": 3.79925404830727,
"density_atomic": 0.02189833956355029,
"volume": 456.6556277465423,
"volume_molar": 27.50044469135839,
"formula_full": "Rb3 Al1 I6",
"formula_reduced": "Rb3AlI6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-12982",
"created_at": "2022-09-04T14:36:47.075811Z",
"updated_at": "2022-09-04T14:36:47.075838Z",
"structure_string": "P3 Br1 Cl14\n1.0\n7.490122 -0.009088 -4.313719\n-4.985081 7.061083 -0.016062\n-0.006416 0.009089 8.643498\nP Br Cl\n3 1 14\ndirect\n0.499999 0.248079 0.748079 P\n-0.000000 0.498087 0.498087 P\n0.500000 0.748079 0.248080 P\n0.000000 -0.002030 -0.002030 Br\n0.730915 0.520803 0.892466 Cl\n0.371663 0.892466 0.161550 Cl\n0.628336 0.789886 0.520803 Cl\n0.269084 0.161550 0.789886 Cl\n-0.000000 0.674915 0.674916 Cl\n0.269080 0.475357 0.103663 Cl\n0.730920 0.834582 0.206277 Cl\n0.628305 0.103663 0.834582 Cl\n0.663018 0.388249 0.270932 Cl\n0.882682 0.270932 0.607915 Cl\n0.117317 0.725231 0.388250 Cl\n0.336981 0.607915 0.725231 Cl\n-0.000000 0.321255 0.321256 Cl\n0.371694 0.206277 0.475357 Cl\n",
"nsites": 18,
"nelements": 3,
"elements": [
"P",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-P",
"density": 2.432793077805575,
"density_atomic": 0.03940886053298658,
"volume": 456.75007489580616,
"volume_molar": 15.281184684239372,
"formula_full": "P3 Br1 Cl14",
"formula_reduced": "P3BrCl14",
"formula_anonymous": "AB3C14",
"energy_above_hull": 0.6843826416666667,
"spacegroup": 87
},
{
"id": "jvasp-4258",
"created_at": "2022-09-04T14:37:33.815822Z",
"updated_at": "2022-09-04T14:37:33.815846Z",
"structure_string": "Mo4 Br12\n1.0\n6.074176 0.000000 0.000000\n0.000000 6.592487 0.000000\n0.000000 0.000000 11.406921\nMo Br\n4 12\ndirect\n0.728580 0.256358 0.500000 Mo\n0.228580 0.743642 0.000000 Mo\n0.271421 0.256358 0.500000 Mo\n0.771421 0.743642 0.000000 Mo\n0.500000 0.092765 0.663940 Br\n0.000000 0.907236 0.836060 Br\n0.500000 0.092765 0.336060 Br\n0.000000 0.907236 0.163940 Br\n0.000000 0.416367 0.000000 Br\n0.500000 0.583634 0.500000 Br\n0.500000 0.053507 0.000000 Br\n0.000000 0.946494 0.500000 Br\n0.000000 0.411152 0.345047 Br\n0.500000 0.588849 0.154953 Br\n0.000000 0.411152 0.654953 Br\n0.500000 0.588849 0.845047 Br\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Mo",
"Br"
],
"chemical_system": "Br-Mo",
"density": 4.880825047670257,
"density_atomic": 0.03502796404867136,
"volume": 456.77790401314786,
"volume_molar": 17.192380212655905,
"formula_full": "Mo4 Br12",
"formula_reduced": "MoBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.28975455375,
"spacegroup": 59
}
]
}