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=161",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=159",
"results": [
{
"id": "jvasp-10478",
"created_at": "2022-09-04T14:37:13.444793Z",
"updated_at": "2022-09-04T14:37:13.444813Z",
"structure_string": "K1 Li6 Ta1 O6\n1.0\n5.222864 0.002401 -1.031268\n-1.255257 5.069778 -1.031268\n0.001878 0.002401 5.323703\nK Li Ta O\n1 6 1 6\ndirect\n0.500000 0.500000 0.499999 K\n0.344323 -0.000000 0.655676 Li\n-0.000000 0.655677 0.344323 Li\n0.344322 0.655677 -0.000000 Li\n0.000000 0.344323 0.655676 Li\n0.655677 -0.000000 0.344322 Li\n0.655676 0.344323 -0.000001 Li\n0.000000 0.000000 0.000000 Ta\n0.272672 0.914734 0.272672 O\n0.272673 0.272672 0.914733 O\n0.727327 0.085266 0.727327 O\n0.727327 0.727328 0.085266 O\n0.085266 0.727328 0.727327 O\n0.914733 0.272672 0.272672 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"K",
"Li",
"Ta",
"O"
],
"chemical_system": "K-Li-O-Ta",
"density": 4.212245026668206,
"density_atomic": 0.09928588009424547,
"volume": 141.00695876101148,
"volume_molar": 6.0654553842737595,
"formula_full": "K1 Li6 Ta1 O6",
"formula_reduced": "KLi6TaO6",
"formula_anonymous": "ABC6D6",
"energy_above_hull": 1.9828213,
"spacegroup": 166
},
{
"id": "jvasp-12548",
"created_at": "2022-09-04T14:38:11.844283Z",
"updated_at": "2022-09-04T14:38:11.844305Z",
"structure_string": "K1 Li6 Bi1 O6\n1.0\n5.362400 -0.002026 -1.091621\n-1.335840 5.193349 -1.091621\n-0.001571 -0.002026 5.472383\nK Li Bi O\n1 6 1 6\ndirect\n0.500000 0.499999 0.500000 K\n0.344970 -0.000001 0.655030 Li\n0.000000 0.655030 0.344970 Li\n0.344970 0.655030 0.000000 Li\n0.000000 0.344970 0.655030 Li\n0.655030 -0.000001 0.344970 Li\n0.655030 0.344970 0.000000 Li\n0.000000 0.000000 0.000000 Bi\n0.904605 0.281851 0.281852 O\n0.281852 0.904605 0.281852 O\n0.718148 0.718147 0.095394 O\n0.095394 0.718147 0.718148 O\n0.718148 0.095393 0.718148 O\n0.281852 0.281851 0.904605 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"K",
"Li",
"Bi",
"O"
],
"chemical_system": "Bi-K-Li-O",
"density": 4.203868468699202,
"density_atomic": 0.09188712447748756,
"volume": 152.36084576169335,
"volume_molar": 6.553846139211192,
"formula_full": "K1 Li6 Bi1 O6",
"formula_reduced": "KLi6BiO6",
"formula_anonymous": "ABC6D6",
"energy_above_hull": 1.5074702357142855,
"spacegroup": 166
},
{
"id": "jvasp-116724",
"created_at": "2022-09-04T14:38:44.670847Z",
"updated_at": "2022-09-04T14:38:44.670870Z",
"structure_string": "Ag6 Sb1 As1 S6\n1.0\n6.804763 0.020447 -1.445904\n-1.789508 6.565279 -1.445904\n0.015571 0.020447 6.956667\nAg Sb As S\n6 1 1 6\ndirect\n0.967807 0.789351 0.437857 Ag\n0.437856 0.967809 0.789351 Ag\n0.789350 0.437857 0.967809 Ag\n0.939126 0.257702 0.455947 Ag\n0.455945 0.939127 0.257703 Ag\n0.257701 0.455946 0.939127 Ag\n0.532369 0.532370 0.532370 Sb\n0.011931 0.011931 0.011931 As\n0.103195 0.771075 0.786454 S\n0.786452 0.103196 0.771075 S\n0.771073 0.786453 0.103196 S\n0.287263 0.262855 0.617073 S\n0.617072 0.287264 0.262855 S\n0.262854 0.617073 0.287264 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ag",
"Sb",
"As",
"S"
],
"chemical_system": "Ag-As-S-Sb",
"density": 5.5251420717334625,
"density_atomic": 0.04495157741132095,
"volume": 311.4462451872519,
"volume_molar": 13.396950912079312,
"formula_full": "Ag6 Sb1 As1 S6",
"formula_reduced": "Ag6SbAsS6",
"formula_anonymous": "ABC6D6",
"energy_above_hull": 1.1952422435714285,
"spacegroup": 146
},
{
"id": "jvasp-119057",
"created_at": "2022-09-04T14:38:50.207974Z",
"updated_at": "2022-09-04T14:38:50.208004Z",
"structure_string": "Mg2 Si2 H12 O12\n1.0\n5.164977 -0.000000 0.000000\n0.000000 5.115752 0.006663\n-0.000000 -0.001061 7.320674\nMg Si H O\n2 2 12 12\ndirect\n0.008020 0.752297 0.251245 Mg\n0.508020 0.247703 0.748754 Mg\n0.507691 0.252156 0.249337 Si\n0.007690 0.747844 0.750662 Si\n0.687660 0.591294 0.952096 H\n0.187660 0.408706 0.047903 H\n0.354413 0.929380 0.450097 H\n0.957505 0.227834 0.268950 H\n0.457505 0.772166 0.731049 H\n0.854414 0.070620 0.549902 H\n0.042689 0.299399 0.774465 H\n0.708413 0.035013 0.013195 H\n0.208412 0.964987 0.986804 H\n0.794988 0.539872 0.509801 H\n0.294987 0.460128 0.490198 H\n0.542690 0.700601 0.225534 H\n0.849866 0.052806 0.685640 O\n0.349866 0.947194 0.314359 O\n0.666861 0.560970 0.187029 O\n0.166861 0.439030 0.812970 O\n0.812839 0.111549 0.311198 O\n0.041963 0.870600 0.980290 O\n0.541964 0.129399 0.019708 O\n0.963984 0.628920 0.520413 O\n0.463984 0.371079 0.479586 O\n0.204111 0.399989 0.184393 O\n0.312838 0.888451 0.688801 O\n0.704111 0.600011 0.815606 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Mg",
"Si",
"H",
"O"
],
"chemical_system": "H-Mg-O-Si",
"density": 2.651517561161086,
"density_atomic": 0.14475347795265844,
"volume": 193.43231261881934,
"volume_molar": 4.160273621867337,
"formula_full": "Mg2 Si2 H12 O12",
"formula_reduced": "MgSi(HO)6",
"formula_anonymous": "ABC6D6",
"energy_above_hull": 2.718247760714285,
"spacegroup": 4
},
{
"id": "jvasp-101799",
"created_at": "2022-09-04T14:37:07.768578Z",
"updated_at": "2022-09-04T14:37:07.768598Z",
"structure_string": "H12 C12 S2 O2\n1.0\n5.634312 -0.096339 1.126032\n0.299914 6.939423 2.038735\n-0.077969 -0.046931 7.495953\nH C S O\n12 12 2 2\ndirect\n0.672919 0.037573 0.794543 H\n0.235380 0.246518 0.427980 H\n0.400974 0.125525 0.088380 H\n0.565298 0.053390 0.431010 H\n0.749747 0.316428 0.359996 H\n0.831053 0.249832 0.942855 H\n0.309512 0.225343 0.800862 H\n0.058321 0.570691 0.814978 H\n0.070114 0.385240 0.572602 H\n0.152175 0.301199 0.113690 H\n0.984153 0.942703 0.747450 H\n0.974210 0.641971 0.268192 H\n0.647844 0.773221 0.383333 C\n0.246439 0.318793 0.537694 C\n0.339652 0.275966 0.065168 C\n0.709726 0.966574 0.367878 C\n0.796267 0.914539 0.799449 C\n0.721890 0.732336 0.864144 C\n0.667443 0.450359 0.384908 C\n0.497275 0.418559 0.992436 C\n0.789203 0.622678 0.336070 C\n0.867983 0.559496 0.865050 C\n0.749916 0.393417 0.931098 C\n0.431340 0.469474 0.466415 C\n0.424839 0.666382 0.959780 S\n0.363385 0.699177 0.483168 S\n0.905307 0.036423 0.293388 O\n0.301358 0.168726 0.696505 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.4231428286332208,
"density_atomic": 0.09509328391784197,
"volume": 294.4477133021428,
"volume_molar": 6.332877057020101,
"formula_full": "H12 C12 S2 O2",
"formula_reduced": "H6C6SO",
"formula_anonymous": "ABC6D6",
"energy_above_hull": 4.934181678571429,
"spacegroup": 1
},
{
"id": "jvasp-48340",
"created_at": "2022-09-04T14:36:01.559226Z",
"updated_at": "2022-09-04T14:36:01.559254Z",
"structure_string": "Li6 Co1 O1 F6\n1.0\n-0.000000 -2.014613 -2.014613\n-0.000000 2.014613 -2.014613\n14.505165 -2.014613 0.000000\nLi Co O F\n6 1 1 6\ndirect\n0.004059 0.995939 0.991879 Li\n0.853082 0.146917 0.293835 Li\n0.282049 0.717949 0.435899 Li\n0.713209 0.286790 0.573579 Li\n0.143932 0.856066 0.712135 Li\n0.575092 0.424907 0.849816 Li\n0.428570 0.571428 0.142857 Co\n0.928570 0.071429 0.142857 O\n0.506174 0.493824 0.987650 F\n0.350967 0.649032 0.298064 F\n0.782442 0.217556 0.435114 F\n0.213127 0.786872 0.573745 F\n0.644014 0.355984 0.711968 F\n0.074699 0.925300 0.850600 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 3.251727224233974,
"density_atomic": 0.11890280567422253,
"volume": 117.74322666832683,
"volume_molar": 5.0647591752375,
"formula_full": "Li6 Co1 O1 F6",
"formula_reduced": "Li6CoOF6",
"formula_anonymous": "ABC6D6",
"energy_above_hull": 0.5941740067857142,
"spacegroup": 139
},
{
"id": "jvasp-30157",
"created_at": "2022-09-04T14:36:49.512165Z",
"updated_at": "2022-09-04T14:36:49.512191Z",
"structure_string": "Fe4 H24 S4 O24\n1.0\n6.790771 0.000000 -1.705466\n0.000000 7.735725 0.000000\n0.080695 0.000000 8.928452\nFe H S O\n4 24 4 24\ndirect\n0.837618 0.363130 0.518097 Fe\n0.162381 0.863131 0.981903 Fe\n0.162381 0.636870 0.481903 Fe\n0.837619 0.136870 0.018097 Fe\n0.232840 0.511162 0.984057 H\n0.232840 0.988839 0.484057 H\n0.767159 0.488839 0.015942 H\n0.855038 0.087770 0.374468 H\n0.144961 0.587770 0.125531 H\n0.144961 0.912231 0.625531 H\n0.855038 0.412230 0.874468 H\n0.376668 0.814657 0.252696 H\n0.623331 0.314656 0.247303 H\n0.623331 0.185344 0.747303 H\n0.376668 0.685344 0.752696 H\n0.767159 0.011162 0.515942 H\n0.686138 0.512980 0.244681 H\n0.686138 0.987021 0.744680 H\n0.313861 0.487021 0.755319 H\n0.517856 0.061829 0.131227 H\n0.482144 0.561829 0.368773 H\n0.482143 0.938171 0.868773 H\n0.517856 0.438171 0.631226 H\n0.483957 0.226256 0.016030 H\n0.516043 0.726257 0.483970 H\n0.516043 0.773744 0.983969 H\n0.483956 0.273744 0.516030 H\n0.313861 0.012980 0.255319 H\n0.849189 0.795617 0.195294 S\n0.150811 0.295617 0.304706 S\n0.150810 0.204383 0.804706 S\n0.849189 0.704384 0.695293 S\n0.784518 0.384168 0.955361 O\n0.345575 0.920124 0.185921 O\n0.654425 0.420124 0.314078 O\n0.215481 0.884169 0.544638 O\n0.654424 0.079876 0.814078 O\n0.345575 0.579876 0.685921 O\n0.584717 0.164040 0.098009 O\n0.415282 0.664040 0.401990 O\n0.415282 0.835961 0.901990 O\n0.584717 0.335961 0.598009 O\n0.309846 0.165675 0.386687 O\n0.908383 0.885340 0.053297 O\n0.690153 0.834325 0.613312 O\n0.309846 0.334325 0.886687 O\n0.975805 0.179266 0.235259 O\n0.024195 0.679267 0.264740 O\n0.024194 0.820734 0.764740 O\n0.975805 0.320734 0.735259 O\n0.091617 0.385340 0.446702 O\n0.091617 0.114660 0.946702 O\n0.908382 0.614661 0.553297 O\n0.215482 0.615832 0.044638 O\n0.690153 0.665676 0.113312 O\n0.784518 0.115832 0.455362 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Fe",
"H",
"S",
"O"
],
"chemical_system": "Fe-H-O-S",
"density": 2.6839640068669004,
"density_atomic": 0.11912614582767724,
"volume": 470.0899169608592,
"volume_molar": 5.055263660348224,
"formula_full": "Fe4 H24 S4 O24",
"formula_reduced": "FeH6SO6",
"formula_anonymous": "ABC6D6",
"energy_above_hull": 3.03880975,
"spacegroup": 14
},
{
"id": "jvasp-22042",
"created_at": "2022-09-04T14:37:34.917967Z",
"updated_at": "2022-09-04T14:37:34.917991Z",
"structure_string": "K1 Li6 Ir1 O6\n1.0\n5.190485 0.017253 -1.045276\n-1.280055 5.030198 -1.045276\n0.013366 0.017253 5.294672\nK Li Ir O\n1 6 1 6\ndirect\n0.500000 0.500000 0.499999 K\n0.339573 -0.000001 0.660427 Li\n0.000001 0.660427 0.339572 Li\n0.339573 0.660427 -0.000001 Li\n0.000001 0.339573 0.660427 Li\n0.660427 -0.000001 0.339572 Li\n0.660427 0.339573 -0.000001 Li\n0.000000 0.000000 0.000000 Ir\n0.724536 0.081440 0.724536 O\n0.724537 0.724537 0.081439 O\n0.275464 0.918560 0.275462 O\n0.275464 0.275463 0.918559 O\n0.918559 0.275463 0.275462 O\n0.081442 0.724537 0.724536 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"K",
"Li",
"Ir",
"O"
],
"chemical_system": "Ir-K-Li-O",
"density": 4.422223236041758,
"density_atomic": 0.1010515599276153,
"volume": 138.54313590040968,
"volume_molar": 5.959473326600546,
"formula_full": "K1 Li6 Ir1 O6",
"formula_reduced": "KLi6IrO6",
"formula_anonymous": "ABC6D6",
"energy_above_hull": 1.8434692928571428,
"spacegroup": 166
},
{
"id": "jvasp-27517",
"created_at": "2022-09-04T14:36:38.345997Z",
"updated_at": "2022-09-04T14:36:38.346008Z",
"structure_string": "Na1 Nb6 O15 F1\n1.0\n3.952785 0.000000 0.000000\n0.000000 8.557165 -3.153448\n0.000000 0.060044 9.119523\nNa Nb O F\n1 6 15 1\ndirect\n0.500001 0.403958 0.596041 Na\n0.000000 0.627838 0.005734 Nb\n0.000000 0.218443 0.781556 Nb\n0.000000 0.735931 0.622726 Nb\n0.000000 0.377274 0.264069 Nb\n0.000000 0.994266 0.372162 Nb\n0.000000 0.999524 0.000477 Nb\n0.000000 0.446979 0.817436 O\n0.000000 0.229218 0.010356 O\n0.000000 0.989644 0.770781 O\n0.500001 0.639503 0.008967 O\n0.500001 0.362725 0.284503 O\n0.500001 0.715497 0.637275 O\n0.500001 0.222217 0.777783 O\n0.000000 0.142483 0.230977 O\n0.000000 0.769023 0.857516 O\n0.000000 0.831242 0.465690 O\n0.000000 0.534310 0.168758 O\n0.000000 0.862887 0.137113 O\n0.000000 0.510971 0.489029 O\n0.500001 0.991033 0.360497 O\n0.000000 0.182563 0.553020 O\n0.500001 0.000469 0.999530 F\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Na",
"Nb",
"O",
"F"
],
"chemical_system": "F-Na-Nb-O",
"density": 4.5078493767249,
"density_atomic": 0.07438239200483,
"volume": 309.2129653279569,
"volume_molar": 8.09619131313894,
"formula_full": "Na1 Nb6 O15 F1",
"formula_reduced": "NaNb6O15F",
"formula_anonymous": "ABC6D15",
"energy_above_hull": 3.6622068775,
"spacegroup": 38
},
{
"id": "jvasp-91486",
"created_at": "2022-09-04T14:35:59.953971Z",
"updated_at": "2022-09-04T14:35:59.953999Z",
"structure_string": "Li12 Zr2 Be2 F24\n1.0\n6.251952 -0.000000 -2.080278\n-0.692193 6.213515 -2.080278\n-0.022389 -0.025022 10.367483\nLi Zr Be F\n12 2 2 24\ndirect\n0.853299 0.103299 0.206597 Li\n0.733665 0.000000 0.500000 Li\n0.396701 0.646700 0.293402 Li\n0.266335 0.500000 0.500000 Li\n0.500000 0.766335 -0.000000 Li\n0.733665 0.500000 0.500000 Li\n0.000000 0.766335 -0.000000 Li\n0.000000 0.233665 -0.000000 Li\n0.266335 0.000000 0.500000 Li\n0.500000 0.233665 -0.000000 Li\n0.603299 0.353299 0.706597 Li\n0.146701 0.896700 0.793402 Li\n0.875000 0.625000 0.250000 Zr\n0.125000 0.375000 0.750000 Zr\n0.375000 0.125000 0.250000 Be\n0.625000 0.875000 0.749999 Be\n0.425735 0.981882 0.351471 F\n0.922246 0.385104 0.344492 F\n0.922246 0.959386 0.344492 F\n0.210617 0.231612 0.921236 F\n0.789382 0.310376 0.078764 F\n0.518117 0.074265 0.148529 F\n0.869588 0.925735 0.851470 F\n0.574265 0.630411 0.648529 F\n0.885104 0.422246 0.844492 F\n0.481883 0.925735 0.851470 F\n0.114896 0.577753 0.155507 F\n0.540613 0.577753 0.155507 F\n0.459387 0.422246 0.844492 F\n0.731612 0.710617 0.421235 F\n0.810376 0.289383 0.578764 F\n0.189624 0.710617 0.421236 F\n0.210618 0.689623 0.921235 F\n0.789383 0.768387 0.078764 F\n0.077754 0.614895 0.655507 F\n0.574265 0.018118 0.648529 F\n0.425735 0.369588 0.351471 F\n0.130412 0.074265 0.148529 F\n0.268388 0.289383 0.578764 F\n0.077754 0.040613 0.655507 F\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Li",
"Zr",
"Be",
"F"
],
"chemical_system": "Be-F-Li-Zr",
"density": 3.054893714101297,
"density_atomic": 0.09948007205272266,
"volume": 402.0905813055776,
"volume_molar": 6.053615197231032,
"formula_full": "Li12 Zr2 Be2 F24",
"formula_reduced": "Li6ZrBeF12",
"formula_anonymous": "ABC6D12",
"energy_above_hull": 0.3698571994999996,
"spacegroup": 141
},
{
"id": "jvasp-117041",
"created_at": "2022-09-04T14:38:49.430805Z",
"updated_at": "2022-09-04T14:38:49.430836Z",
"structure_string": "Li1 Cu6 O1 F11\n1.0\n5.667936 0.043637 0.281013\n-0.442435 4.680425 -0.473125\n-0.057292 0.097987 8.166608\nLi Cu O F\n1 6 1 11\ndirect\n0.939254 0.193418 0.286889 Li\n0.013921 0.987262 0.975196 Cu\n0.509898 0.489680 0.003462 Cu\n0.350910 0.978795 0.314486 Cu\n0.712778 0.638046 0.367206 Cu\n0.181705 0.496324 0.656037 Cu\n0.675649 0.001766 0.679521 Cu\n0.512585 0.691727 0.208046 O\n0.205880 0.705373 0.874919 F\n0.485299 0.286579 0.783314 F\n0.869216 0.707274 0.573131 F\n0.406787 0.783291 0.565559 F\n0.018113 0.809332 0.259064 F\n0.178801 0.280540 0.437154 F\n0.829529 0.265202 0.087961 F\n0.971280 0.207267 0.749898 F\n0.290575 0.190997 0.085877 F\n0.652219 0.208702 0.406314 F\n0.720619 0.772868 0.904718 F\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Li",
"Cu",
"O",
"F"
],
"chemical_system": "Cu-F-Li-O",
"density": 4.689513042009446,
"density_atomic": 0.08750460934458841,
"volume": 217.13141904535598,
"volume_molar": 6.882084046893045,
"formula_full": "Li1 Cu6 O1 F11",
"formula_reduced": "LiCu6OF11",
"formula_anonymous": "ABC6D11",
"energy_above_hull": 0.0,
"spacegroup": 1
},
{
"id": "jvasp-111360",
"created_at": "2022-09-04T14:38:49.562520Z",
"updated_at": "2022-09-04T14:38:49.562536Z",
"structure_string": "La1 U1 Te6\n1.0\n13.086745 0.011129 0.000000\n-12.341883 4.352120 0.000000\n-0.000000 -0.000000 4.456270\nLa U Te\n1 1 6\ndirect\n0.831194 0.168806 -0.000000 La\n0.166231 0.833770 0.500000 U\n0.574760 0.425241 0.500000 Te\n0.430171 0.569830 -0.000000 Te\n0.291659 0.708342 0.500000 Te\n0.700705 0.299295 -0.000000 Te\n0.930430 0.069571 0.500000 Te\n0.074854 0.925147 -0.000000 Te\n",
"nsites": 8,
"nelements": 3,
"elements": [
"La",
"U",
"Te"
],
"chemical_system": "La-Te-U",
"density": 7.457071265218762,
"density_atomic": 0.03144415336159443,
"volume": 254.41931630352366,
"volume_molar": 19.15186168553478,
"formula_full": "La1 U1 Te6",
"formula_reduced": "LaUTe6",
"formula_anonymous": "ABC6",
"energy_above_hull": 1.8328647,
"spacegroup": 38
}
]
}