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=formula_anonymous&page=4548",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=4546",
"results": [
{
"id": "jvasp-55696",
"created_at": "2022-09-04T14:38:04.853837Z",
"updated_at": "2022-09-04T14:38:04.853855Z",
"structure_string": "Li4 H4 Se4 O12\n1.0\n4.952831 0.000000 0.000000\n0.000000 5.295842 0.000000\n0.000000 0.000000 11.178928\nLi H Se O\n4 4 4 12\ndirect\n0.490784 0.939803 0.669377 Li\n0.990784 0.560197 0.330623 Li\n0.509216 0.439803 0.830623 Li\n0.009216 0.060197 0.169377 Li\n0.486284 0.934476 0.079522 H\n0.986284 0.565524 0.920479 H\n0.513716 0.434476 0.420479 H\n0.013716 0.065524 0.579522 H\n0.606903 0.007707 0.398479 Se\n0.106903 0.492293 0.601521 Se\n0.393097 0.507707 0.101521 Se\n0.893097 0.992293 0.898479 Se\n0.846361 0.899250 0.304171 O\n0.261046 0.445568 0.964171 O\n0.346361 0.600750 0.695829 O\n0.653639 0.100750 0.804172 O\n0.153639 0.399250 0.195829 O\n0.182725 0.152281 0.613675 O\n0.682725 0.347718 0.386325 O\n0.817275 0.652281 0.886326 O\n0.317275 0.847718 0.113675 O\n0.738954 0.945567 0.535830 O\n0.238954 0.554432 0.464171 O\n0.761046 0.054432 0.035830 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"H",
"Se",
"O"
],
"chemical_system": "H-Li-O-Se",
"density": 3.056013978266828,
"density_atomic": 0.08185072938916516,
"volume": 293.2166906649088,
"volume_molar": 7.357467434856079,
"formula_full": "Li4 H4 Se4 O12",
"formula_reduced": "LiHSeO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.9792656444444443,
"spacegroup": 19
},
{
"id": "jvasp-110990",
"created_at": "2022-09-04T14:38:35.887453Z",
"updated_at": "2022-09-04T14:38:35.887477Z",
"structure_string": "Ta1 Ti1 W1 C3\n1.0\n3.114082 0.000000 0.000000\n-1.557040 2.696874 0.000000\n0.000000 0.000000 7.623174\nTa Ti W C\n1 1 1 3\ndirect\n0.333333 0.666666 0.168553 Ta\n0.000000 0.000000 0.503436 Ti\n0.666666 0.333333 0.829085 W\n0.333333 0.666666 0.666044 C\n0.000000 0.000000 0.995684 C\n0.666666 0.333333 0.337196 C\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Ta",
"Ti",
"W",
"C"
],
"chemical_system": "C-Ta-Ti-W",
"density": 11.637669823946522,
"density_atomic": 0.09371836796658971,
"volume": 64.02160142330882,
"volume_molar": 6.425784924196368,
"formula_full": "Ta1 Ti1 W1 C3",
"formula_reduced": "TaTiWC3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 6.6839095888888895,
"spacegroup": 156
},
{
"id": "jvasp-112864",
"created_at": "2022-09-04T14:38:44.011549Z",
"updated_at": "2022-09-04T14:38:44.011561Z",
"structure_string": "Na4 Fe4 B4 O12\n1.0\n4.943602 -0.000216 0.958308\n0.000373 8.950508 0.000832\n0.019209 -0.000926 5.546486\nNa Fe B O\n4 4 4 12\ndirect\n-0.000008 0.335241 0.749958 Na\n0.500003 0.835222 0.750022 Na\n0.499994 0.164755 0.249985 Na\n0.000011 0.664781 0.250038 Na\n0.500010 0.499998 0.499974 Fe\n0.499997 0.499998 0.000021 Fe\n-0.000011 0.000001 0.500027 Fe\n0.000002 0.000002 0.999979 Fe\n0.000001 0.331660 0.249964 B\n0.500001 0.831674 0.250030 B\n0.499991 0.168338 0.749974 B\n0.000005 0.668326 0.750034 B\n0.214759 0.407694 0.314696 O\n0.500012 0.323278 0.749919 O\n-0.000031 0.823270 0.750021 O\n0.000028 0.176718 0.249982 O\n0.499998 0.676732 0.250075 O\n0.285204 0.092321 0.685263 O\n0.785244 0.592294 0.685305 O\n0.714748 0.092327 0.814740 O\n0.214807 0.592336 0.814768 O\n0.785209 0.407657 0.185222 O\n0.285229 0.907676 0.185274 O\n0.714787 0.907693 0.314741 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Na",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Na-O",
"density": 3.727767567585427,
"density_atomic": 0.09785742653782414,
"volume": 245.25476347697995,
"volume_molar": 6.153994615495334,
"formula_full": "Na4 Fe4 B4 O12",
"formula_reduced": "NaFeBO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 2.3518129305555555,
"spacegroup": 15
},
{
"id": "jvasp-57186",
"created_at": "2022-09-04T14:38:33.906206Z",
"updated_at": "2022-09-04T14:38:33.906220Z",
"structure_string": "Na2 Mg2 B2 O6\n1.0\n4.946574 0.000000 0.883802\n2.473287 4.429226 0.441901\n0.044496 0.000000 5.522599\nNa Mg B O\n2 2 2 6\ndirect\n0.334314 0.331374 0.250000 Na\n0.665686 0.668627 0.750000 Na\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.668069 0.663863 0.250000 B\n0.331931 0.336138 0.750000 B\n0.187178 0.181408 0.697929 O\n0.824427 0.351144 0.250000 O\n0.631414 0.181408 0.802071 O\n0.368586 0.818593 0.197929 O\n0.175573 0.648857 0.750000 O\n0.812822 0.818593 0.302071 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Na",
"Mg",
"B",
"O"
],
"chemical_system": "B-Mg-Na-O",
"density": 2.916490081351305,
"density_atomic": 0.09931869987688542,
"volume": 120.82316839502624,
"volume_molar": 6.063451059533595,
"formula_full": "Na2 Mg2 B2 O6",
"formula_reduced": "NaMgBO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.438780188888889,
"spacegroup": 15
},
{
"id": "jvasp-35195",
"created_at": "2022-09-04T14:38:33.049632Z",
"updated_at": "2022-09-04T14:38:33.049670Z",
"structure_string": "Rb4 Mg4 B4 O12\n1.0\n6.964787 0.000000 -0.000000\n-0.000000 6.964787 0.000000\n-0.000000 -0.000000 6.964787\nRb Mg B O\n4 4 4 12\ndirect\n0.608262 0.391738 0.891738 Rb\n0.108262 0.108262 0.108262 Rb\n0.891738 0.608262 0.391738 Rb\n0.391738 0.891738 0.608262 Rb\n0.109046 0.609046 0.890954 Mg\n0.609046 0.890954 0.109046 Mg\n0.890954 0.109046 0.609046 Mg\n0.390954 0.390954 0.390954 Mg\n0.851357 0.851357 0.851357 B\n0.648643 0.148643 0.351357 B\n0.148643 0.351357 0.648643 B\n0.351357 0.648643 0.148643 B\n0.281132 0.498780 0.655052 O\n0.001220 0.344948 0.781132 O\n0.218868 0.501220 0.155052 O\n0.844948 0.718868 0.998780 O\n0.501220 0.155052 0.218868 O\n0.718868 0.998780 0.844948 O\n0.344948 0.781132 0.001220 O\n0.998780 0.844948 0.718868 O\n0.781132 0.001220 0.344948 O\n0.155052 0.218868 0.501220 O\n0.498780 0.655052 0.281132 O\n0.655052 0.281132 0.498780 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Rb",
"Mg",
"B",
"O"
],
"chemical_system": "B-Mg-O-Rb",
"density": 3.3143378236098764,
"density_atomic": 0.07103750901116943,
"volume": 337.84968440020066,
"volume_molar": 8.477409813248268,
"formula_full": "Rb4 Mg4 B4 O12",
"formula_reduced": "RbMgBO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.3964903555555557,
"spacegroup": 198
},
{
"id": "jvasp-112537",
"created_at": "2022-09-04T14:38:40.627369Z",
"updated_at": "2022-09-04T14:38:40.627384Z",
"structure_string": "Cu4 Ni4 Sb4 S12\n1.0\n4.865227 0.000000 0.000000\n0.000000 7.490678 0.000000\n0.000000 0.000000 12.392772\nCu Ni Sb S\n4 4 4 12\ndirect\n0.520523 0.618034 0.939801 Cu\n0.020523 0.881966 0.060199 Cu\n0.479477 0.118034 0.560199 Cu\n0.979478 0.381966 0.439801 Cu\n0.989872 0.868742 0.747850 Ni\n0.489872 0.631259 0.252150 Ni\n0.010129 0.368741 0.752150 Ni\n0.510129 0.131259 0.247850 Ni\n0.431114 0.127706 0.864542 Sb\n0.931115 0.372294 0.135457 Sb\n0.568886 0.627706 0.635457 Sb\n0.068886 0.872294 0.364542 Sb\n0.782007 0.370186 0.910192 S\n0.770657 0.870167 0.905881 S\n0.270657 0.629833 0.094119 S\n0.229343 0.370167 0.594119 S\n0.729344 0.129833 0.405881 S\n0.221619 0.622053 0.796112 S\n0.721619 0.877947 0.203888 S\n0.778382 0.122053 0.703888 S\n0.278381 0.377947 0.296112 S\n0.217994 0.870186 0.589807 S\n0.717994 0.629814 0.410192 S\n0.282006 0.129814 0.089807 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Cu",
"Ni",
"Sb",
"S"
],
"chemical_system": "Cu-Ni-S-Sb",
"density": 5.003150333305506,
"density_atomic": 0.05313963232966594,
"volume": 451.6403096489184,
"volume_molar": 11.332672989982386,
"formula_full": "Cu4 Ni4 Sb4 S12",
"formula_reduced": "CuNiSbS3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.3982914916666669,
"spacegroup": 19
},
{
"id": "jvasp-51056",
"created_at": "2022-09-04T14:38:36.232029Z",
"updated_at": "2022-09-04T14:38:36.232061Z",
"structure_string": "Cu4 As4 Pb4 S12\n1.0\n0.000000 8.125979 -0.000018\n7.698503 0.000000 0.000000\n0.000000 -0.000019 -8.793964\nCu As Pb S\n4 4 4 12\ndirect\n0.276733 0.759958 0.569198 Cu\n0.723264 0.259959 0.069198 Cu\n0.723264 0.740041 0.069198 Cu\n0.276733 0.240041 0.569198 Cu\n0.935818 0.000000 0.424195 As\n0.503502 0.500000 0.339754 As\n0.496496 0.000000 0.839754 As\n0.064180 0.500000 0.924195 As\n0.556083 0.500000 0.808856 Pb\n0.443915 0.000000 0.308856 Pb\n0.078430 0.000000 -0.000034 Pb\n0.921568 0.500000 0.499966 Pb\n0.221677 0.500000 0.702776 S\n0.247674 0.000000 0.716780 S\n0.559459 0.274985 0.506652 S\n0.440539 0.774985 0.006652 S\n0.559459 0.725015 0.506652 S\n0.893621 0.729309 0.855428 S\n0.893621 0.270691 0.855428 S\n0.106378 0.229309 0.355428 S\n0.440539 0.225015 0.006652 S\n0.752323 0.500000 0.216780 S\n0.778321 0.000000 0.202776 S\n0.106378 0.770690 0.355428 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Cu",
"As",
"Pb",
"S"
],
"chemical_system": "As-Cu-Pb-S",
"density": 5.334941604810524,
"density_atomic": 0.04362591805912328,
"volume": 550.1316893199682,
"volume_molar": 13.804043623422656,
"formula_full": "Cu4 As4 Pb4 S12",
"formula_reduced": "CuAsPbS3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.3862905033333333,
"spacegroup": 31
},
{
"id": "jvasp-28750",
"created_at": "2022-09-04T14:38:33.726437Z",
"updated_at": "2022-09-04T14:38:33.726456Z",
"structure_string": "Mo2 W2 Se2 S6\n1.0\n3.224952 -0.000000 -0.000002\n-1.612476 2.792884 -0.000017\n-0.000020 -0.000237 34.073254\nMo W Se S\n2 2 2 6\ndirect\n0.333314 0.666636 0.096902 Mo\n0.666661 0.333317 0.279088 Mo\n0.333338 0.666676 0.468410 W\n0.666679 0.333364 0.658513 W\n0.666666 0.333333 0.417891 Se\n0.666675 0.333348 0.518930 Se\n0.333338 0.666673 0.324767 S\n0.333347 0.666700 0.704389 S\n0.666655 0.333319 0.051274 S\n0.666643 0.333291 0.142568 S\n0.333325 0.666644 0.233429 S\n0.333339 0.666684 0.612588 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 4.923100250668962,
"density_atomic": 0.03910132572173873,
"volume": 306.89496528575484,
"volume_molar": 15.401372329051076,
"formula_full": "Mo2 W2 Se2 S6",
"formula_reduced": "MoWSeS3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 3.754286544444444,
"spacegroup": 156
},
{
"id": "jvasp-57533",
"created_at": "2022-09-04T14:38:32.739655Z",
"updated_at": "2022-09-04T14:38:32.739685Z",
"structure_string": "Ho4 Te4 Cl4 O12\n1.0\n6.960790 -0.000000 0.000000\n0.000000 7.215885 0.000000\n0.000000 0.000000 9.113693\nHo Te Cl O\n4 4 4 12\ndirect\n0.250000 0.592078 0.963501 Ho\n0.750000 0.407923 0.036499 Ho\n0.750000 0.907923 0.463501 Ho\n0.250000 0.092078 0.536499 Ho\n0.750000 0.827420 0.870276 Te\n0.250000 0.672581 0.370276 Te\n0.750000 0.327420 0.629723 Te\n0.250000 0.172581 0.129723 Te\n0.750000 0.561044 0.315211 Cl\n0.750000 0.061043 0.184789 Cl\n0.250000 0.938957 0.815210 Cl\n0.250000 0.438957 0.684789 Cl\n0.250000 0.240969 0.328162 O\n0.250000 0.740969 0.171838 O\n0.750000 0.759032 0.671838 O\n0.565747 0.650403 0.937780 O\n0.934253 0.650403 0.937780 O\n0.434253 0.349598 0.062220 O\n0.065747 0.349598 0.062220 O\n0.434253 0.849598 0.437780 O\n0.565747 0.150402 0.562220 O\n0.934253 0.150402 0.562220 O\n0.750000 0.259031 0.828162 O\n0.065747 0.849598 0.437780 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ho",
"Te",
"Cl",
"O"
],
"chemical_system": "Cl-Ho-O-Te",
"density": 5.455481132236922,
"density_atomic": 0.05242865442409263,
"volume": 457.7649429234873,
"volume_molar": 11.486353838660863,
"formula_full": "Ho4 Te4 Cl4 O12",
"formula_reduced": "HoTeClO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.4029913168055557,
"spacegroup": 62
},
{
"id": "jvasp-29022",
"created_at": "2022-09-04T14:38:32.793383Z",
"updated_at": "2022-09-04T14:38:32.793409Z",
"structure_string": "Te6 Mo2 W2 Se2\n1.0\n3.503564 0.000000 0.000000\n-1.751782 3.034174 -0.000014\n0.000000 -0.000227 36.989371\nTe Mo W Se\n6 2 2 2\ndirect\n0.333352 0.666704 0.709654 Te\n0.666623 0.333246 0.046882 Te\n0.666690 0.333381 0.415642 Te\n0.666637 0.333273 0.146091 Te\n0.666686 0.333373 0.515344 Te\n0.333349 0.666698 0.610434 Te\n0.333296 0.666592 0.096452 Mo\n0.666684 0.333369 0.660090 Mo\n0.333356 0.666710 0.465485 W\n0.666662 0.333325 0.280895 W\n0.333336 0.666673 0.324775 Se\n0.333321 0.666644 0.237007 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 6.263054512858705,
"density_atomic": 0.030517837913279833,
"volume": 393.21265268199755,
"volume_molar": 19.733182858866506,
"formula_full": "Te6 Mo2 W2 Se2",
"formula_reduced": "Te3MoWSe",
"formula_anonymous": "ABCD3",
"energy_above_hull": 3.307020427777778,
"spacegroup": 156
},
{
"id": "jvasp-99973",
"created_at": "2022-09-04T14:38:40.530312Z",
"updated_at": "2022-09-04T14:38:40.530339Z",
"structure_string": "La1 Al1 Cu1 Ni3\n1.0\n4.080876 0.000000 0.000000\n0.000000 4.408808 2.379255\n0.000000 -0.042910 5.141562\nLa Al Cu Ni\n1 1 1 3\ndirect\n0.000000 0.500000 0.499999 La\n0.500000 0.000000 0.000000 Al\n0.500000 -0.000000 0.500000 Cu\n0.000000 0.172337 0.155280 Ni\n0.000000 0.827663 0.844719 Ni\n0.500000 0.500000 -0.000001 Ni\n",
"nsites": 6,
"nelements": 4,
"elements": [
"La",
"Al",
"Cu",
"Ni"
],
"chemical_system": "Al-Cu-La-Ni",
"density": 7.246575775189356,
"density_atomic": 0.0645698809840604,
"volume": 92.92258106347057,
"volume_molar": 9.326547715778839,
"formula_full": "La1 Al1 Cu1 Ni3",
"formula_reduced": "LaAlCuNi3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.0826059083333337,
"spacegroup": 10
},
{
"id": "jvasp-91421",
"created_at": "2022-09-04T14:35:50.752816Z",
"updated_at": "2022-09-04T14:35:50.752842Z",
"structure_string": "Yb4 Se4 O12 F4\n1.0\n6.498913 0.000000 -0.441467\n0.000000 6.838090 0.000000\n0.501159 0.000000 6.713239\nYb Se O F\n4 4 12 4\ndirect\n0.132522 0.176589 0.868261 Yb\n0.132522 0.323411 0.368261 Yb\n0.867478 0.823411 0.131739 Yb\n0.867478 0.676589 0.631739 Yb\n0.670348 0.360922 0.187068 Se\n0.329652 0.860922 0.312931 Se\n0.329652 0.639078 0.812932 Se\n0.670348 0.139078 0.687068 Se\n0.804055 0.968576 0.818124 O\n0.860699 0.302102 0.641260 O\n0.491307 0.763389 0.136267 O\n0.508693 0.263389 0.363733 O\n0.195945 0.468576 0.681876 O\n0.860699 0.197898 0.141259 O\n0.139301 0.697898 0.358740 O\n0.804055 0.531424 0.318124 O\n0.139301 0.802102 0.858740 O\n0.195945 0.031424 0.181875 O\n0.491307 0.736611 0.636267 O\n0.508693 0.236611 0.863733 O\n0.786101 0.925467 0.430425 F\n0.213899 0.074533 0.569575 F\n0.786101 0.574533 0.930425 F\n0.213899 0.425467 0.069575 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Yb",
"Se",
"O",
"F"
],
"chemical_system": "F-O-Se-Yb",
"density": 7.066278068686191,
"density_atomic": 0.08003995171125068,
"volume": 299.85025586449075,
"volume_molar": 7.523918532241577,
"formula_full": "Yb4 Se4 O12 F4",
"formula_reduced": "YbSeO3F",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.0738774748611108,
"spacegroup": 14
}
]
}