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=-elements&page=666",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=664",
"results": [
{
"id": "jvasp-117147",
"created_at": "2022-09-04T14:38:43.371030Z",
"updated_at": "2022-09-04T14:38:43.371060Z",
"structure_string": "Bi3 Te4 Cl5 O10\n1.0\n7.895149 -0.012798 0.973941\n6.837923 3.946688 0.973941\n-0.127023 -0.033917 13.261207\nBi Te Cl O\n3 4 5 10\ndirect\n0.000000 0.000000 0.000000 Bi\n0.783165 0.783163 0.809241 Bi\n0.216836 0.216836 0.190759 Bi\n0.160352 0.160351 0.494643 Te\n0.839649 0.839648 0.505357 Te\n0.474345 0.474344 0.770027 Te\n0.525656 0.525655 0.229973 Te\n0.823274 0.823274 0.026658 Cl\n0.500001 0.499999 0.500000 Cl\n0.176727 0.176725 0.973342 Cl\n0.155596 0.155595 0.722816 Cl\n0.844405 0.844404 0.277184 Cl\n0.056885 0.056884 0.193513 O\n0.292924 0.292923 0.498485 O\n0.707077 0.707076 0.501515 O\n0.160488 0.160487 0.354395 O\n0.839514 0.839512 0.645605 O\n0.347784 0.347782 0.805900 O\n0.652217 0.652217 0.194100 O\n0.514648 0.514646 0.899656 O\n0.485353 0.485353 0.100344 O\n0.943117 0.943115 0.806487 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Bi",
"Te",
"Cl",
"O"
],
"chemical_system": "Bi-Cl-O-Te",
"density": 5.901733068191151,
"density_atomic": 0.05302477784088681,
"volume": 414.90037103061746,
"volume_molar": 11.357220162375475,
"formula_full": "Bi3 Te4 Cl5 O10",
"formula_reduced": "Bi3Te4(ClO2)5",
"formula_anonymous": "A3B4C5D10",
"energy_above_hull": 1.7335167865530303,
"spacegroup": 12
},
{
"id": "jvasp-101468",
"created_at": "2022-09-04T14:38:40.877398Z",
"updated_at": "2022-09-04T14:38:40.877425Z",
"structure_string": "Bi2 Sb2 Te3 Se3\n1.0\n4.202424 -0.023185 19.751461\n2.058244 3.663951 19.751461\n-0.039868 -0.023185 20.193538\nBi Sb Te Se\n2 2 3 3\ndirect\n0.199874 0.199875 0.199875 Bi\n0.695621 0.695625 0.695624 Bi\n0.300649 0.300650 0.300650 Sb\n0.804812 0.804817 0.804816 Sb\n0.392751 0.392753 0.392752 Te\n0.605191 0.605194 0.605193 Te\n0.109154 0.109155 0.109154 Te\n0.997796 0.997802 0.997801 Se\n0.501840 0.501843 0.501843 Se\n0.892292 0.892297 0.892296 Se\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Bi",
"Sb",
"Te",
"Se"
],
"chemical_system": "Bi-Sb-Se-Te",
"density": 6.73705653292777,
"density_atomic": 0.031667767826949786,
"volume": 315.7784929662721,
"volume_molar": 19.016625336235606,
"formula_full": "Bi2 Sb2 Te3 Se3",
"formula_reduced": "Bi2Sb2(TeSe)3",
"formula_anonymous": "A2B2C3D3",
"energy_above_hull": 1.40191742,
"spacegroup": 160
},
{
"id": "jvasp-98779",
"created_at": "2022-09-04T14:35:45.899290Z",
"updated_at": "2022-09-04T14:35:45.899315Z",
"structure_string": "Bi2 S8 N6 Cl8\n1.0\n7.388614 0.089729 0.455934\n2.073790 8.429700 3.595872\n0.084904 0.063123 9.254735\nBi S N Cl\n2 8 6 8\ndirect\n0.746671 0.038721 0.880703 Bi\n0.253328 0.961279 0.119297 Bi\n0.255591 0.467048 0.085442 S\n0.529348 0.345017 0.350050 S\n0.808302 0.715090 0.456267 S\n0.744408 0.532952 0.914558 S\n-0.006970 0.372305 0.351144 S\n0.191697 0.284909 0.543733 S\n0.006970 0.627695 0.648857 S\n0.470651 0.654982 0.649950 S\n0.082376 0.435456 0.186130 N\n0.449943 0.419992 0.174479 N\n0.610259 0.698274 0.517463 N\n0.917623 0.564544 0.813870 N\n0.550056 0.580008 0.825522 N\n0.389740 0.301725 0.482537 N\n0.655347 0.950692 0.673399 Cl\n0.108965 0.882752 0.873588 Cl\n0.622878 0.781293 0.114783 Cl\n0.344651 0.049307 0.326601 Cl\n0.377121 0.218707 0.885217 Cl\n0.891034 0.117248 0.126412 Cl\n0.198972 0.691359 0.337308 Cl\n0.801027 0.308640 0.662692 Cl\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Bi",
"S",
"N",
"Cl"
],
"chemical_system": "Bi-Cl-N-S",
"density": 3.02126049847103,
"density_atomic": 0.04190078578479868,
"volume": 572.7816209286232,
"volume_molar": 14.372381441554712,
"formula_full": "Bi2 S8 N6 Cl8",
"formula_reduced": "BiS4N3Cl4",
"formula_anonymous": "AB3C4D4",
"energy_above_hull": 2.46145086,
"spacegroup": 2
},
{
"id": "jvasp-100427",
"created_at": "2022-09-04T14:36:47.943911Z",
"updated_at": "2022-09-04T14:36:47.943928Z",
"structure_string": "Bi1 Pb1 I1 O2\n1.0\n3.904522 -0.006344 -6.373370\n-0.315814 3.891734 -6.373370\n0.005860 0.006344 7.474296\nBi Pb I O\n1 1 1 2\ndirect\n0.335408 0.335408 0.000000 Bi\n0.660194 0.660193 0.000000 Pb\n0.991561 0.991560 0.000000 I\n0.756418 0.256418 0.500000 O\n0.256419 0.756417 0.500000 O\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Bi",
"Pb",
"I",
"O"
],
"chemical_system": "Bi-I-O-Pb",
"density": 8.385875357468528,
"density_atomic": 0.04390745594979496,
"volume": 113.8758757901424,
"volume_molar": 13.715531063530277,
"formula_full": "Bi1 Pb1 I1 O2",
"formula_reduced": "BiPbIO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.9591556790000002,
"spacegroup": 107
},
{
"id": "jvasp-12488",
"created_at": "2022-09-04T14:38:09.569071Z",
"updated_at": "2022-09-04T14:38:09.569101Z",
"structure_string": "Bi2 Pb2 Cl2 O4\n1.0\n5.636503 -0.000000 0.000000\n-0.000000 5.174483 -2.343406\n0.000000 -0.019308 6.841966\nBi Pb Cl O\n2 2 2 4\ndirect\n0.750000 0.090626 0.181252 Bi\n0.250000 0.909373 0.818748 Bi\n0.750000 0.392609 0.785219 Pb\n0.250000 0.607390 0.214781 Pb\n0.750000 0.745612 0.491224 Cl\n0.250000 0.254387 0.508776 Cl\n0.500000 0.238637 -0.000000 O\n0.000000 0.761363 -0.000001 O\n0.500000 0.761363 -0.000001 O\n0.000000 0.238637 -0.000000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Bi",
"Pb",
"Cl",
"O"
],
"chemical_system": "Bi-Cl-O-Pb",
"density": 8.059202604242502,
"density_atomic": 0.05017620054338723,
"volume": 199.2976728350132,
"volume_molar": 12.001986389528778,
"formula_full": "Bi2 Pb2 Cl2 O4",
"formula_reduced": "BiPbClO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.0105812375,
"spacegroup": 63
},
{
"id": "jvasp-107576",
"created_at": "2022-09-04T14:36:51.286861Z",
"updated_at": "2022-09-04T14:36:51.286889Z",
"structure_string": "Bi1 Pb1 Br1 O2\n1.0\n3.826635 -0.016754 -5.994334\n-0.340298 3.811511 -5.994334\n0.015393 0.016754 7.111606\nBi Pb Br O\n1 1 1 2\ndirect\n0.342098 0.342098 0.000001 Bi\n0.653058 0.653058 0.000002 Pb\n0.991244 0.991244 0.000003 Br\n0.756801 0.256801 0.500002 O\n0.256800 0.756800 0.500000 O\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Bi",
"Pb",
"Br",
"O"
],
"chemical_system": "Bi-Br-O-Pb",
"density": 8.394964596205872,
"density_atomic": 0.04786713390147546,
"volume": 104.45580490136426,
"volume_molar": 12.58095120630227,
"formula_full": "Bi1 Pb1 Br1 O2",
"formula_reduced": "BiPbBrO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.984805245,
"spacegroup": 107
},
{
"id": "jvasp-98366",
"created_at": "2022-09-04T14:35:58.658141Z",
"updated_at": "2022-09-04T14:35:58.658164Z",
"structure_string": "Bi2 P8 H2 O24\n1.0\n6.568346 -0.003359 -2.661646\n-3.521165 7.746035 -1.328927\n0.008659 -0.057539 8.873393\nBi P H O\n2 8 2 24\ndirect\n0.093802 0.259303 0.259153 Bi\n0.906199 0.740696 0.740846 Bi\n0.091826 0.393830 0.664194 P\n0.908175 0.606169 0.335805 P\n0.214639 0.198796 0.893907 P\n0.785362 0.801203 0.106092 P\n0.428463 0.872646 0.160043 P\n0.571538 0.127353 0.839956 P\n0.383684 0.711852 0.418336 P\n0.616317 0.288147 0.581663 P\n0.531363 0.151362 0.244083 H\n0.468638 0.848637 0.755916 H\n0.877017 0.421657 0.301327 O\n0.828828 0.262584 0.578206 O\n0.171173 0.737415 0.421793 O\n0.685700 0.458582 0.708524 O\n0.314301 0.541417 0.291475 O\n0.550649 0.759527 0.602681 O\n0.449352 0.240472 0.397318 O\n0.517937 0.133433 0.649977 O\n0.814972 0.197402 0.955204 O\n0.185029 0.802597 0.044795 O\n0.122984 0.578342 0.698672 O\n0.574514 0.065483 0.190222 O\n0.538809 0.764440 0.094318 O\n0.461192 0.235559 0.905681 O\n0.958208 0.963441 0.251006 O\n0.041793 0.036559 0.748993 O\n0.482064 0.866566 0.350022 O\n0.248179 0.213380 0.072851 O\n0.811779 0.633765 0.149835 O\n0.188222 0.366234 0.850164 O\n0.812921 0.676272 0.441383 O\n0.187080 0.323728 0.558616 O\n0.425487 0.934516 0.809777 O\n0.751822 0.786619 0.927148 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Bi",
"P",
"H",
"O"
],
"chemical_system": "Bi-H-O-P",
"density": 3.8767651165004127,
"density_atomic": 0.07991151981873792,
"volume": 450.4982520875369,
"volume_molar": 7.536010795014199,
"formula_full": "Bi2 P8 H2 O24",
"formula_reduced": "BiP4HO12",
"formula_anonymous": "ABC4D12",
"energy_above_hull": 2.981893794444444,
"spacegroup": 2
},
{
"id": "jvasp-26455",
"created_at": "2022-09-04T14:37:52.771347Z",
"updated_at": "2022-09-04T14:37:52.771358Z",
"structure_string": "Be4 B2 O6 F2\n1.0\n4.326222 -0.000132 1.140697\n2.012670 3.829536 1.140697\n0.009754 0.005893 8.753435\nBe B O F\n4 2 6 2\ndirect\n0.563339 0.062952 0.810510 Be\n0.937046 0.436660 0.689491 Be\n0.062952 0.563340 0.310510 Be\n0.436659 0.937048 0.189491 Be\n0.250233 0.749766 0.750000 B\n0.749765 0.250235 0.250000 B\n0.250284 0.441794 0.749905 O\n0.441793 0.250285 0.249905 O\n0.558205 0.749716 0.750095 O\n0.749715 0.558207 0.250096 O\n0.942262 0.057737 0.750000 O\n0.057736 0.942264 0.250000 O\n0.500000 0.000000 0.000000 F\n-0.000001 0.500000 0.500000 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Be",
"B",
"O",
"F"
],
"chemical_system": "B-Be-F-O",
"density": 2.1954485939947928,
"density_atomic": 0.0965743540352244,
"volume": 144.96602270716363,
"volume_molar": 6.235755672570684,
"formula_full": "Be4 B2 O6 F2",
"formula_reduced": "Be2BO3F",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 2.0542350808333336,
"spacegroup": 167
},
{
"id": "jvasp-112697",
"created_at": "2022-09-04T14:38:43.454267Z",
"updated_at": "2022-09-04T14:38:43.454330Z",
"structure_string": "Be4 B2 H6 O10\n1.0\n10.543668 0.000000 0.000000\n-0.000000 3.851505 2.209628\n-0.000000 0.009647 4.453186\nBe B H O\n4 2 6 10\ndirect\n0.800102 0.014490 0.976846 Be\n0.300102 0.985512 0.023154 Be\n0.696829 0.349782 0.311081 Be\n0.196829 0.650220 0.688919 Be\n0.751080 0.683020 0.644066 B\n0.251080 0.316982 0.355934 B\n0.011366 0.768619 0.449771 H\n0.496655 0.747042 0.141964 H\n0.511366 0.231383 0.550229 H\n0.996655 0.252960 0.858037 H\n0.994766 0.872556 0.857370 H\n0.494766 0.127446 0.142631 H\n0.958155 0.007095 -0.029329 O\n0.753109 0.992760 0.334725 O\n0.748680 0.683460 0.952992 O\n0.750749 0.373128 0.644851 O\n0.253109 0.007242 0.665276 O\n0.248680 0.316542 0.047008 O\n0.250749 0.626874 0.355149 O\n0.543288 0.352363 0.310041 O\n0.043288 0.647639 0.689959 O\n0.458155 0.992907 0.029329 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Be",
"B",
"H",
"O"
],
"chemical_system": "B-Be-H-O",
"density": 2.0567720258165627,
"density_atomic": 0.12180629834892187,
"volume": 180.6146340395273,
"volume_molar": 4.944030679554186,
"formula_full": "Be4 B2 H6 O10",
"formula_reduced": "Be2BH3O5",
"formula_anonymous": "AB2C3D5",
"energy_above_hull": 2.876399298484848,
"spacegroup": 4
},
{
"id": "jvasp-116710",
"created_at": "2022-09-04T14:38:45.018674Z",
"updated_at": "2022-09-04T14:38:45.018701Z",
"structure_string": "Be2 B1 H3 O5\n1.0\n4.438238 -0.002348 0.058709\n-2.219286 3.859425 -0.180725\n0.022628 0.015050 5.280912\nBe B H O\n2 1 3 5\ndirect\n0.326825 0.657434 0.393325 Be\n0.665365 0.334951 0.599649 Be\n0.995601 0.995044 0.501420 B\n0.542849 0.466207 0.992227 H\n0.927199 0.469895 0.989694 H\n0.434309 0.869235 0.016131 H\n0.678586 0.353872 0.914628 O\n0.305591 -0.004365 0.506901 O\n0.686510 0.685653 0.498995 O\n-0.004651 0.303487 0.498774 O\n0.313413 0.637179 0.087439 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Be",
"B",
"H",
"O"
],
"chemical_system": "B-Be-H-O",
"density": 2.053880310371502,
"density_atomic": 0.12163504497235897,
"volume": 90.4344632132927,
"volume_molar": 4.9509915184135505,
"formula_full": "Be2 B1 H3 O5",
"formula_reduced": "Be2BH3O5",
"formula_anonymous": "AB2C3D5",
"energy_above_hull": 2.8763592984848483,
"spacegroup": 1
},
{
"id": "jvasp-21116",
"created_at": "2022-09-04T14:38:34.730883Z",
"updated_at": "2022-09-04T14:38:34.730898Z",
"structure_string": "Be6 Al4 Si12 O36\n1.0\n4.651785 -8.057128 -0.000000\n4.651785 8.057128 0.000000\n0.000000 -0.000000 9.279567\nBe Al Si O\n6 4 12 36\ndirect\n0.500000 0.000000 0.750000 Be\n0.500001 0.500001 0.250000 Be\n0.000000 0.500000 0.250000 Be\n0.500000 0.000000 0.250000 Be\n0.500001 0.500001 0.750000 Be\n0.000000 0.500000 0.750000 Be\n0.333333 0.666668 0.750000 Al\n0.666668 0.333333 0.750000 Al\n0.666668 0.333333 0.250000 Al\n0.333333 0.666668 0.250000 Al\n0.115796 0.727826 0.500000 Si\n0.612031 0.884206 0.500000 Si\n0.727826 0.612031 0.500000 Si\n0.272175 0.884205 0.000000 Si\n0.884206 0.612031 0.000000 Si\n0.272175 0.387970 0.500000 Si\n0.612031 0.727826 0.000000 Si\n0.115796 0.387970 0.000000 Si\n0.387970 0.115796 0.500000 Si\n0.884205 0.272175 0.500000 Si\n0.727826 0.115796 0.000000 Si\n0.387970 0.272175 0.000000 Si\n0.500785 0.646013 0.854389 O\n0.145228 0.499216 0.854389 O\n0.499216 0.145228 0.645612 O\n0.854773 0.353988 0.645612 O\n0.646013 0.145228 0.854389 O\n0.646013 0.500785 0.645612 O\n0.353988 0.499216 0.645612 O\n0.646013 0.145228 0.145612 O\n0.145228 0.646013 0.645612 O\n0.145228 0.499216 0.145612 O\n0.500785 0.646013 0.145612 O\n0.499216 0.353988 0.145612 O\n0.854773 0.500785 0.145612 O\n0.500785 0.854773 0.354389 O\n0.499216 0.353988 0.854389 O\n0.500785 0.854773 0.645612 O\n0.854773 0.500785 0.854389 O\n0.310604 0.236827 0.500000 O\n0.353988 0.499216 0.354389 O\n0.236828 0.926225 0.500000 O\n0.926225 0.689397 0.500000 O\n0.073776 0.310604 0.500000 O\n0.689397 0.763174 0.500000 O\n0.926225 0.236828 0.000000 O\n0.763173 0.073776 0.500000 O\n0.145228 0.646013 0.354389 O\n0.236827 0.310604 0.000000 O\n0.689397 0.926225 0.000000 O\n0.310604 0.073776 0.000000 O\n0.763174 0.689397 0.000000 O\n0.073776 0.763173 0.000000 O\n0.854773 0.353988 0.354389 O\n0.499216 0.145228 0.354389 O\n0.646013 0.500785 0.354389 O\n0.353988 0.854773 0.854389 O\n0.353988 0.854773 0.145612 O\n",
"nsites": 58,
"nelements": 4,
"elements": [
"Be",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Be-O-Si",
"density": 2.5662645830223463,
"density_atomic": 0.0833816315880016,
"volume": 695.5968466362566,
"volume_molar": 7.222382970095983,
"formula_full": "Be6 Al4 Si12 O36",
"formula_reduced": "Be3Al2(SiO3)6",
"formula_anonymous": "A2B3C6D18",
"energy_above_hull": 3.045590637931034,
"spacegroup": 192
},
{
"id": "jvasp-110904",
"created_at": "2022-09-04T14:38:37.303994Z",
"updated_at": "2022-09-04T14:38:37.304013Z",
"structure_string": "Ba2 Zr1 U1 O6\n1.0\n5.304394 -0.000000 3.062493\n1.768131 5.001031 3.062493\n-0.000000 -0.000000 6.124987\nBa Zr U O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Zr\n0.499999 0.500000 0.500000 U\n0.755682 0.244317 0.244317 O\n0.244317 0.755682 0.755683 O\n0.244317 0.755682 0.244317 O\n0.755682 0.244317 0.755683 O\n0.244317 0.244317 0.755683 O\n0.755682 0.755682 0.244317 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Zr",
"U",
"O"
],
"chemical_system": "Ba-O-U-Zr",
"density": 7.152974088528546,
"density_atomic": 0.06154595386702462,
"volume": 162.48021797835597,
"volume_molar": 9.784787433811424,
"formula_full": "Ba2 Zr1 U1 O6",
"formula_reduced": "Ba2ZrUO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.561437344,
"spacegroup": 225
}
]
}