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=nelements&page=4613",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4611",
"results": [
{
"id": "jvasp-28502",
"created_at": "2022-09-04T14:37:42.926372Z",
"updated_at": "2022-09-04T14:37:42.926404Z",
"structure_string": "Te2 Mo1 W2 Se2 S2\n1.0\n3.352832 0.000000 0.000000\n-1.676416 2.900619 0.134001\n0.000000 1.022530 20.138326\nTe Mo W Se S\n2 1 2 2 2\ndirect\n0.811418 0.622838 0.914721 Te\n0.747788 0.495578 0.103989 Te\n0.446281 0.892565 0.009359 Mo\n0.224360 0.448722 0.674298 W\n0.662670 0.325341 0.357311 W\n0.301307 0.602617 0.440687 Se\n0.357374 0.714751 0.273918 Se\n0.583201 0.166401 0.598398 S\n0.532194 0.064388 0.750159 S\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 7.996000027253813,
"density_atomic": 0.0460613410226219,
"volume": 195.3916190928933,
"volume_molar": 13.074175927796745,
"formula_full": "Te2 Mo1 W2 Se2 S2",
"formula_reduced": "Te2MoW2(SeS)2",
"formula_anonymous": "AB2C2D2E2",
"energy_above_hull": 3.9230353518518513,
"spacegroup": 160
},
{
"id": "jvasp-45750",
"created_at": "2022-09-04T14:38:03.440113Z",
"updated_at": "2022-09-04T14:38:03.440138Z",
"structure_string": "Na4 Tb2 P2 C2 O14\n1.0\n0.000000 5.034325 -0.005768\n6.990519 0.000000 0.000000\n0.000000 -0.149542 -9.413625\nTb Na P C O\n2 4 2 2 14\ndirect\n0.771580 0.750000 0.377073 Tb\n0.228419 0.250000 0.622927 Tb\n0.234750 0.488079 0.207315 Na\n0.234750 0.011922 0.207315 Na\n0.765249 0.511922 0.792685 Na\n0.765249 0.988079 0.792685 Na\n0.697042 0.250000 0.410360 P\n0.302957 0.750000 0.589640 P\n0.733264 0.750000 0.083915 C\n0.266735 0.250000 0.916084 C\n0.470149 0.250000 0.828735 O\n0.180287 0.931416 0.654280 O\n0.180287 0.568584 0.654280 O\n0.750260 0.250000 0.575720 O\n0.610709 0.750000 0.608377 O\n0.389291 0.250000 0.391623 O\n0.965505 0.750000 0.148186 O\n0.819712 0.431416 0.345720 O\n0.819712 0.068584 0.345720 O\n0.529851 0.750000 0.171265 O\n0.034494 0.250000 0.851814 O\n0.297266 0.250000 0.049072 O\n0.249740 0.750000 0.424280 O\n0.702733 0.750000 0.950928 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Tb",
"Na",
"P",
"C",
"O"
],
"chemical_system": "C-Na-O-P-Tb",
"density": 3.6076762134938343,
"density_atomic": 0.07244289112078678,
"volume": 331.29544705751584,
"volume_molar": 8.312949230531201,
"formula_full": "Na4 Tb2 P2 C2 O14",
"formula_reduced": "Na2TbPCO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 2.4268697,
"spacegroup": 11
},
{
"id": "jvasp-55825",
"created_at": "2022-09-04T14:38:03.297166Z",
"updated_at": "2022-09-04T14:38:03.297186Z",
"structure_string": "Li4 Ti2 P2 C2 O14\n1.0\n0.000000 4.958226 0.021139\n6.398555 0.000000 0.000000\n0.000000 -0.540810 -8.566765\nLi Ti P C O\n4 2 2 2 14\ndirect\n0.771835 0.007120 0.211046 Li\n0.228166 0.992879 0.788954 Li\n0.228166 0.507120 0.788954 Li\n0.771835 0.492879 0.211046 Li\n0.788953 0.749999 0.654111 Ti\n0.211047 0.250000 0.345889 Ti\n0.718756 0.250000 0.584470 P\n0.281245 0.749999 0.415530 P\n0.728786 0.749999 0.944653 C\n0.271214 0.250000 0.055348 C\n0.302622 0.250000 0.910444 O\n0.697378 0.749999 0.089556 O\n0.404864 0.250000 0.566282 O\n0.824315 0.056536 0.676726 O\n0.824315 0.443463 0.676726 O\n0.825364 0.250000 0.418619 O\n0.966481 0.749999 0.886217 O\n0.175686 0.556536 0.323274 O\n0.175686 0.943463 0.323274 O\n0.476804 0.250000 0.161873 O\n0.595137 0.749999 0.433718 O\n0.523197 0.749999 0.838128 O\n0.174637 0.749999 0.581381 O\n0.033519 0.250000 0.113783 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Li",
"Ti",
"P",
"C",
"O"
],
"chemical_system": "C-Li-O-P-Ti",
"density": 2.6490397168382263,
"density_atomic": 0.08832894965042598,
"volume": 271.71159733001826,
"volume_molar": 6.817856188524209,
"formula_full": "Li4 Ti2 P2 C2 O14",
"formula_reduced": "Li2TiPCO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 2.971569861111111,
"spacegroup": 11
},
{
"id": "jvasp-59662",
"created_at": "2022-09-04T14:37:42.538945Z",
"updated_at": "2022-09-04T14:37:42.538957Z",
"structure_string": "Li2 Fe1 Cu1 C6 N6\n1.0\n6.281258 -0.000000 3.626486\n2.093753 5.922027 3.626486\n-0.000000 -0.000000 7.252972\nLi Fe Cu C N\n2 1 1 6 6\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750001 Li\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Cu\n0.817441 0.182560 0.817441 C\n0.182559 0.817441 0.817441 C\n0.817441 0.182560 0.182560 C\n0.182560 0.182560 0.817440 C\n0.182559 0.817441 0.182560 C\n0.817440 0.817441 0.182560 C\n0.702821 0.702821 0.297180 N\n0.297179 0.702821 0.297180 N\n0.702821 0.297179 0.297180 N\n0.297179 0.297179 0.702821 N\n0.297179 0.702821 0.702821 N\n0.702821 0.297179 0.702821 N\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Li",
"Fe",
"Cu",
"C",
"N"
],
"chemical_system": "C-Cu-Fe-Li-N",
"density": 1.7810687818931092,
"density_atomic": 0.05930440683485949,
"volume": 269.79445295783825,
"volume_molar": 10.154626074870626,
"formula_full": "Li2 Fe1 Cu1 C6 N6",
"formula_reduced": "Li2FeCu(CN)6",
"formula_anonymous": "ABC2D6E6",
"energy_above_hull": 5.592101590625,
"spacegroup": 225
},
{
"id": "jvasp-40219",
"created_at": "2022-09-04T14:37:59.283387Z",
"updated_at": "2022-09-04T14:37:59.283418Z",
"structure_string": "Co2 Mo2 H4 Se2 O14\n1.0\n4.958240 -0.012128 0.009636\n-2.275701 6.174911 -0.001450\n-1.140299 -0.724050 8.707945\nCo Mo H Se O\n2 2 4 2 14\ndirect\n0.500000 -0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.206630 0.405803 0.105347 Mo\n0.793370 0.594197 0.894654 Mo\n0.616226 0.140855 0.356093 H\n0.454046 0.247450 0.480296 H\n0.545954 0.752549 0.519705 H\n0.383774 0.859145 0.643908 H\n0.873674 0.822240 0.260423 Se\n0.126326 0.177759 0.739578 Se\n0.360219 0.414495 0.869065 O\n0.335727 0.020689 0.776507 O\n0.856516 0.538419 0.710417 O\n0.364482 0.742910 0.562912 O\n0.196231 0.269517 0.565617 O\n0.803769 0.730482 0.434384 O\n0.269606 0.157656 0.103146 O\n0.143484 0.461580 0.289584 O\n0.664273 0.979311 0.223494 O\n0.639781 0.585505 0.130936 O\n0.730394 0.842344 0.896855 O\n0.168249 0.695642 0.012792 O\n0.635518 0.257089 0.437089 O\n0.831751 0.304358 0.987209 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Co",
"Mo",
"H",
"Se",
"O"
],
"chemical_system": "Co-H-Mo-O-Se",
"density": 4.335652646274579,
"density_atomic": 0.09007432591216427,
"volume": 266.44662346297804,
"volume_molar": 6.685746131336551,
"formula_full": "Co2 Mo2 H4 Se2 O14",
"formula_reduced": "CoMoH2SeO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 3.213401222222222,
"spacegroup": 2
},
{
"id": "jvasp-31840",
"created_at": "2022-09-04T14:38:03.341229Z",
"updated_at": "2022-09-04T14:38:03.341239Z",
"structure_string": "Cu2 Sb4 H24 O12 F16\n1.0\n4.860533 -0.014871 0.000000\n-1.253237 6.736587 0.000000\n0.000000 0.000000 18.108916\nCu Sb H O F\n2 4 24 12 16\ndirect\n-0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.129307 0.972199 0.781556 Sb\n0.870692 0.027802 0.218444 Sb\n0.370692 0.527802 0.281556 Sb\n0.629307 0.472199 0.718444 Sb\n0.435245 0.682689 0.939217 H\n0.276498 0.156898 0.980131 H\n0.634818 0.646864 0.440518 H\n0.828962 0.158537 0.389534 H\n0.211454 0.978156 0.379609 H\n0.288545 0.521845 0.879609 H\n0.110896 0.797111 0.086993 H\n0.328962 0.658537 0.110466 H\n0.171037 0.841464 0.610466 H\n0.134819 0.146864 0.059483 H\n0.711454 0.478156 0.120391 H\n0.610896 0.297111 0.413007 H\n0.064754 0.817312 0.439217 H\n0.788545 0.021845 0.620391 H\n0.365180 0.353137 0.559483 H\n0.865180 0.853137 0.940518 H\n0.223502 0.343102 0.480131 H\n0.389103 0.702890 0.586993 H\n0.935245 0.182689 0.560783 H\n0.889103 0.202890 0.913007 H\n0.723501 0.843103 0.019869 H\n0.776497 0.656898 0.519869 H\n0.564754 0.317312 0.060783 H\n0.671037 0.341464 0.889534 H\n0.746832 0.114820 0.581662 O\n0.246832 0.614821 0.918339 O\n0.775336 0.298860 0.932175 O\n0.253167 0.885180 0.418339 O\n0.224662 0.701141 0.067825 O\n0.767753 0.732510 0.473837 O\n0.753167 0.385180 0.081662 O\n0.232246 0.267490 0.526164 O\n0.724662 0.201141 0.432175 O\n0.732246 0.767490 0.973837 O\n0.275336 0.798860 0.567825 O\n0.267753 0.232510 0.026163 O\n0.447263 0.376853 0.822776 F\n0.552735 0.623147 0.177224 F\n0.052736 0.123147 0.322776 F\n0.174923 0.254736 0.187619 F\n0.903242 0.960743 0.101453 F\n0.674922 0.754736 0.312381 F\n0.839428 0.140156 0.777936 F\n0.660571 0.359844 0.277936 F\n0.160571 0.859845 0.222064 F\n0.947263 0.876854 0.677224 F\n0.825076 0.745265 0.812381 F\n0.596756 0.539258 0.601453 F\n0.403243 0.460743 0.398547 F\n0.325077 0.245264 0.687619 F\n0.339428 0.640156 0.722065 F\n0.096756 0.039257 0.898547 F\n",
"nsites": 58,
"nelements": 5,
"elements": [
"Cu",
"Sb",
"H",
"O",
"F"
],
"chemical_system": "Cu-F-H-O-Sb",
"density": 3.178367545117737,
"density_atomic": 0.09787211703370854,
"volume": 592.6100482737487,
"volume_molar": 6.153070907749845,
"formula_full": "Cu2 Sb4 H24 O12 F16",
"formula_reduced": "CuSb2H12(O3F4)2",
"formula_anonymous": "AB2C6D8E12",
"energy_above_hull": 2.02878503137931,
"spacegroup": 14
},
{
"id": "jvasp-28619",
"created_at": "2022-09-04T14:38:03.068346Z",
"updated_at": "2022-09-04T14:38:03.068360Z",
"structure_string": "Te2 Mo1 W3 Se4 S2\n1.0\n3.347804 0.000000 -0.000000\n-1.673902 2.899254 -0.000017\n-0.000002 -0.000227 37.901489\nTe Mo W Se S\n2 1 3 4 2\ndirect\n0.333355 0.666709 0.707805 Te\n0.333349 0.666698 0.607255 Te\n0.333310 0.666621 0.093956 Mo\n0.333310 0.666620 0.469606 W\n0.666693 0.333386 0.281778 W\n0.666690 0.333380 0.657612 W\n0.333360 0.666721 0.325959 Se\n0.666641 0.333283 0.425420 Se\n0.666647 0.333296 0.513749 Se\n0.333350 0.666700 0.237582 Se\n0.666640 0.333280 0.054014 S\n0.666646 0.333292 0.134011 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.78959160813632,
"density_atomic": 0.03261960405026596,
"volume": 367.87693625919894,
"volume_molar": 18.46172243758703,
"formula_full": "Te2 Mo1 W3 Se4 S2",
"formula_reduced": "Te2MoW3(Se2S)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.125687908333334,
"spacegroup": 156
},
{
"id": "jvasp-28995",
"created_at": "2022-09-04T14:37:42.957347Z",
"updated_at": "2022-09-04T14:37:42.957364Z",
"structure_string": "Te2 Mo1 W3 Se4 S2\n1.0\n3.351036 0.000005 0.000004\n-1.675514 2.902043 0.000001\n0.000046 0.000031 37.873956\nTe Mo W Se S\n2 1 3 4 2\ndirect\n0.666646 0.333288 0.043984 Te\n0.666643 0.333283 0.144079 Te\n0.333316 0.666626 0.093884 Mo\n0.333317 0.666629 0.469669 W\n0.666686 0.333365 0.281820 W\n0.666688 0.333371 0.657513 W\n0.333358 0.666712 0.701557 Se\n0.666645 0.333287 0.425427 Se\n0.666640 0.333279 0.513895 Se\n0.333364 0.666725 0.613305 Se\n0.333351 0.666705 0.322084 S\n0.333355 0.666711 0.241531 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.782644713761526,
"density_atomic": 0.03258046399355344,
"volume": 368.3188797548859,
"volume_molar": 18.48390115374531,
"formula_full": "Te2 Mo1 W3 Se4 S2",
"formula_reduced": "Te2MoW3(Se2S)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.122961241666667,
"spacegroup": 156
},
{
"id": "jvasp-28754",
"created_at": "2022-09-04T14:38:03.382491Z",
"updated_at": "2022-09-04T14:38:03.382513Z",
"structure_string": "Te2 Mo2 W2 Se2 S4\n1.0\n3.317942 0.000000 0.000000\n-1.658971 2.873431 0.000050\n0.000000 0.000643 37.573013\nTe Mo W Se S\n2 2 2 2 4\ndirect\n0.333350 0.666701 0.708777 Te\n0.333343 0.666687 0.606661 Te\n0.333322 0.666642 0.093900 Mo\n0.666697 0.333394 0.281763 Mo\n0.333323 0.666647 0.469468 W\n0.666684 0.333367 0.657864 W\n0.666653 0.333306 0.424473 Se\n0.666667 0.333333 0.514167 Se\n0.333348 0.666697 0.322455 S\n0.666629 0.333257 0.053471 S\n0.666641 0.333281 0.134599 S\n0.333339 0.666680 0.241149 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.1034887653641245,
"density_atomic": 0.033499294482230484,
"volume": 358.21649934643654,
"volume_molar": 17.97691818015574,
"formula_full": "Te2 Mo2 W2 Se2 S4",
"formula_reduced": "TeMoWSeS2",
"formula_anonymous": "ABCDE2",
"energy_above_hull": 3.6179578388888887,
"spacegroup": 156
},
{
"id": "jvasp-53229",
"created_at": "2022-09-04T14:37:01.856073Z",
"updated_at": "2022-09-04T14:37:01.856099Z",
"structure_string": "K2 Ca2 Nb4 O12 F2\n1.0\n6.534647 0.053625 3.807368\n2.228773 6.143049 3.807368\n0.000000 0.000000 7.614737\nK Ca Nb O F\n2 2 4 12 2\ndirect\n0.500000 0.000000 0.500000 K\n-0.000000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n-0.000000 -0.000000 0.500000 Nb\n0.500000 0.000000 -0.000000 Nb\n0.000000 0.000000 0.000000 Nb\n-0.000000 0.500000 0.000000 Nb\n0.926112 0.318597 0.940221 O\n0.940227 0.940229 0.309773 O\n0.318596 0.926113 0.940221 O\n0.926112 0.318597 0.315070 O\n0.681404 0.073888 0.684930 O\n0.681644 0.681645 0.068357 O\n0.681404 0.073888 0.059779 O\n0.318596 0.926113 0.315071 O\n0.073887 0.681404 0.684930 O\n0.059772 0.059772 0.690228 O\n0.073887 0.681404 0.059780 O\n0.318355 0.318356 0.931645 O\n0.402314 0.402314 0.347686 F\n0.597686 0.597687 0.652314 F\n",
"nsites": 22,
"nelements": 5,
"elements": [
"K",
"Ca",
"Nb",
"O",
"F"
],
"chemical_system": "Ca-F-K-Nb-O",
"density": 4.140742216021721,
"density_atomic": 0.0721866068253921,
"volume": 304.76567562199585,
"volume_molar": 8.342462715509816,
"formula_full": "K2 Ca2 Nb4 O12 F2",
"formula_reduced": "KCaNb2O6F",
"formula_anonymous": "ABCD2E6",
"energy_above_hull": 2.3611871365909085,
"spacegroup": 74
},
{
"id": "jvasp-8368",
"created_at": "2022-09-04T14:37:05.008152Z",
"updated_at": "2022-09-04T14:37:05.008178Z",
"structure_string": "Sr2 Zn1 Cu2 S2 O2\n1.0\n3.933188 0.000000 -0.867707\n-0.191427 3.928527 -0.867707\n-0.003961 -0.004158 9.330175\nSr Zn Cu S O\n2 1 2 2 2\ndirect\n0.592244 0.592245 0.184487 Sr\n0.407756 0.407756 0.815512 Sr\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250000 0.499999 Cu\n0.250000 0.750000 0.499999 Cu\n0.827657 0.827658 0.655314 S\n0.172342 0.172342 0.344685 S\n0.500000 -0.000000 -0.000000 O\n-0.000000 0.500000 -0.000000 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Sr",
"Zn",
"Cu",
"S",
"O"
],
"chemical_system": "Cu-O-S-Sr-Zn",
"density": 5.34400027289466,
"density_atomic": 0.06244012800224206,
"volume": 144.13807735430706,
"volume_molar": 9.64466434114895,
"formula_full": "Sr2 Zn1 Cu2 S2 O2",
"formula_reduced": "Sr2ZnCu2(SO)2",
"formula_anonymous": "AB2C2D2E2",
"energy_above_hull": 0.4852567688888887,
"spacegroup": 139
},
{
"id": "jvasp-8425",
"created_at": "2022-09-04T14:37:00.828907Z",
"updated_at": "2022-09-04T14:37:00.828936Z",
"structure_string": "Ba1 Al1 Cr1 Cu1 O5\n1.0\n3.757773 0.000000 0.000000\n0.000000 3.757773 0.000000\n0.000000 -0.000000 7.631716\nBa Al Cr Cu O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.996918 Ba\n0.000000 0.000000 0.457895 Al\n0.500000 0.500000 0.685426 Cr\n0.500000 0.500000 0.270803 Cu\n0.000000 0.500000 0.624194 O\n0.500000 0.000000 0.624194 O\n0.000000 0.500000 0.300818 O\n0.500000 0.000000 0.300818 O\n0.500000 0.500000 0.926856 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Al",
"Cr",
"Cu",
"O"
],
"chemical_system": "Al-Ba-Cr-Cu-O",
"density": 5.5447819328168535,
"density_atomic": 0.08351398853676012,
"volume": 107.76637731819616,
"volume_molar": 7.210936593393873,
"formula_full": "Ba1 Al1 Cr1 Cu1 O5",
"formula_reduced": "BaAlCrCuO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.125514902222222,
"spacegroup": 99
}
]
}