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=4618",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4616",
"results": [
{
"id": "jvasp-30145",
"created_at": "2022-09-04T14:36:46.689576Z",
"updated_at": "2022-09-04T14:36:46.689607Z",
"structure_string": "Co2 P2 H12 O12 F2\n1.0\n4.662550 0.043509 -0.778757\n-0.247927 5.579127 -0.590455\n0.108080 -0.073585 10.239612\nCo P H O F\n2 2 12 12 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 -0.000000 0.500000 Co\n0.063387 0.827613 0.692414 P\n0.936612 0.172387 0.307586 P\n0.127669 0.253316 0.612911 H\n0.351388 0.459065 0.595414 H\n0.648612 0.540935 0.404586 H\n0.530997 0.220596 0.896835 H\n0.469002 0.779403 0.103165 H\n0.872330 0.746684 0.387089 H\n0.255380 0.814060 0.211617 H\n0.259523 0.439632 0.076329 H\n0.740476 0.560367 0.923671 H\n0.491153 0.232773 0.104353 H\n0.508846 0.767227 0.895646 H\n0.744619 0.185940 0.788383 H\n0.331263 0.285840 0.607147 O\n0.668737 0.714159 0.392853 O\n0.732292 0.242157 0.883736 O\n0.267707 0.757843 0.116264 O\n0.308081 0.271781 0.047169 O\n0.691918 0.728219 0.952831 O\n0.724332 0.235889 0.402236 O\n0.854659 0.021841 0.652262 O\n0.275668 0.764111 0.597764 O\n0.798067 0.123114 0.161295 O\n0.201932 0.876886 0.838705 O\n0.145341 0.978159 0.347738 O\n0.871210 0.587390 0.684130 F\n0.128790 0.412610 0.315870 F\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Co",
"P",
"H",
"O",
"F"
],
"chemical_system": "Co-F-H-O-P",
"density": 2.626617268501787,
"density_atomic": 0.11247620688208138,
"volume": 266.7230770988892,
"volume_molar": 5.354146380766144,
"formula_full": "Co2 P2 H12 O12 F2",
"formula_reduced": "CoPH6O6F",
"formula_anonymous": "ABCD6E6",
"energy_above_hull": 2.8908231788333336,
"spacegroup": 2
},
{
"id": "jvasp-51764",
"created_at": "2022-09-04T14:37:05.082200Z",
"updated_at": "2022-09-04T14:37:05.082218Z",
"structure_string": "Na1 In1 H8 N2 F6\n1.0\n4.320808 4.320806 -0.000000\n-0.000000 4.320806 4.320808\n4.320808 0.000000 4.320809\nNa In H N F\n1 1 8 2 6\ndirect\n0.500001 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 In\n0.319049 0.319049 0.319049 H\n0.319049 0.319049 0.042854 H\n0.042853 0.319049 0.319049 H\n0.319049 0.042854 0.319049 H\n0.680952 0.957147 0.680951 H\n0.680952 0.680952 0.957146 H\n0.957147 0.680952 0.680951 H\n0.680952 0.680952 0.680951 H\n0.750001 0.750001 0.750000 N\n0.250000 0.250000 0.250000 N\n0.756188 0.756188 0.243813 F\n0.243814 0.756187 0.756187 F\n0.243813 0.243812 0.756187 F\n0.243814 0.756187 0.243813 F\n0.756187 0.243814 0.243813 F\n0.756187 0.243813 0.756187 F\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Na",
"In",
"H",
"N",
"F"
],
"chemical_system": "F-H-In-N-Na",
"density": 2.9629782402033005,
"density_atomic": 0.11157008272463835,
"volume": 161.33357223033596,
"volume_molar": 5.3976304515817235,
"formula_full": "Na1 In1 H8 N2 F6",
"formula_reduced": "NaInH8(NF3)2",
"formula_anonymous": "ABC2D6E8",
"energy_above_hull": 1.9271181758333336,
"spacegroup": 225
},
{
"id": "jvasp-29031",
"created_at": "2022-09-04T14:36:48.091042Z",
"updated_at": "2022-09-04T14:36:48.091065Z",
"structure_string": "Te4 Mo1 W3 Se2 S2\n1.0\n3.411136 -0.000002 0.000002\n-1.705569 2.954085 -0.000038\n0.000025 -0.000480 38.436742\nTe Mo W Se S\n4 1 3 2 2\ndirect\n0.333368 0.666734 0.706294 Te\n0.666638 0.333273 0.045411 Te\n0.666648 0.333294 0.142664 Te\n0.333356 0.666709 0.608474 Te\n0.333312 0.666622 0.093875 Mo\n0.333327 0.666652 0.469648 W\n0.666688 0.333372 0.281815 W\n0.666694 0.333386 0.657537 W\n0.333364 0.666728 0.324848 Se\n0.333356 0.666712 0.238857 Se\n0.666631 0.333257 0.430460 S\n0.666639 0.333275 0.508863 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.916044276049801,
"density_atomic": 0.030982239176534313,
"volume": 387.3186806035859,
"volume_molar": 19.43739677976897,
"formula_full": "Te4 Mo1 W3 Se2 S2",
"formula_reduced": "Te4MoW3(SeS)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.037823641666667,
"spacegroup": 156
},
{
"id": "jvasp-103898",
"created_at": "2022-09-04T14:37:02.015206Z",
"updated_at": "2022-09-04T14:37:02.015223Z",
"structure_string": "Al1 H16 C10 Cl1 O4\n1.0\n4.757365 -0.013961 0.833531\n0.641731 6.436852 2.552180\n0.043223 -0.203279 9.248469\nAl H C Cl O\n1 16 10 1 4\ndirect\n0.143802 0.746251 0.902399 Al\n0.349397 0.276375 0.390406 H\n0.502815 0.512411 0.495959 H\n0.532435 0.319064 0.676522 H\n-0.008337 0.299158 0.707497 H\n0.982992 0.524957 0.542660 H\n0.824079 0.201320 0.174403 H\n0.926281 0.951417 0.163428 H\n0.301984 0.084134 0.574583 H\n0.638808 0.836929 0.456684 H\n0.872384 0.243181 0.411572 H\n0.812642 0.048030 0.593593 H\n0.241290 0.169215 0.980086 H\n0.572670 0.272219 0.955398 H\n0.421579 0.875493 0.220928 H\n0.315029 0.123813 0.234569 H\n0.001376 0.875271 0.414049 H\n0.462594 0.131299 0.000795 C\n0.478863 0.035143 0.178758 C\n0.739033 0.117604 0.478715 C\n0.788168 0.954553 0.397500 C\n0.768229 0.040960 0.221530 C\n0.407880 0.374745 0.578615 C\n0.432626 0.208810 0.502205 C\n0.090804 0.562942 0.742392 C\n0.601587 0.983329 0.918768 C\n0.102316 0.435801 0.639897 C\n0.175300 0.561151 0.141909 Cl\n0.274941 0.695094 0.714141 O\n0.875399 0.959750 0.897593 O\n0.460534 0.882262 0.872217 O\n0.916846 0.545714 0.866384 O\n",
"nsites": 32,
"nelements": 5,
"elements": [
"Al",
"H",
"C",
"Cl",
"O"
],
"chemical_system": "Al-C-Cl-H-O",
"density": 1.5281619973872167,
"density_atomic": 0.11211561935630324,
"volume": 285.41964254154504,
"volume_molar": 5.371366447043965,
"formula_full": "Al1 H16 C10 Cl1 O4",
"formula_reduced": "AlH16C10ClO4",
"formula_anonymous": "ABC4D10E16",
"energy_above_hull": 4.533354089609375,
"spacegroup": 1
},
{
"id": "jvasp-28712",
"created_at": "2022-09-04T14:37:00.525025Z",
"updated_at": "2022-09-04T14:37:00.525047Z",
"structure_string": "Te2 Mo3 W1 Se4 S2\n1.0\n3.347932 0.000023 -0.000378\n-1.673946 2.899381 0.001186\n-0.004002 0.012110 35.024152\nTe Mo W Se S\n2 3 1 4 2\ndirect\n0.333241 0.666289 0.718703 Te\n0.333444 0.667346 0.610246 Te\n0.333354 0.666525 0.096544 Mo\n0.666748 0.333470 0.277088 Mo\n0.666677 0.333495 0.664533 Mo\n0.333213 0.666512 0.464791 W\n0.333317 0.666348 0.324635 Se\n0.666590 0.333529 0.416951 Se\n0.666461 0.332716 0.512622 Se\n0.333482 0.667213 0.229509 Se\n0.666761 0.333593 0.053224 S\n0.666701 0.332956 0.139905 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.406034439259992,
"density_atomic": 0.03529636929741547,
"volume": 339.9783104852851,
"volume_molar": 17.061643675744758,
"formula_full": "Te2 Mo3 W1 Se4 S2",
"formula_reduced": "Te2Mo3W(Se2S)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 3.724024725000001,
"spacegroup": 156
},
{
"id": "jvasp-50980",
"created_at": "2022-09-04T14:37:00.309037Z",
"updated_at": "2022-09-04T14:37:00.309054Z",
"structure_string": "Li3 Zr1 Nb1 Te2 O12\n1.0\n5.158804 0.000681 0.001763\n-0.001896 5.512635 -0.044891\n-0.029833 -0.598221 7.549057\nLi Zr Nb Te O\n3 1 1 2 12\ndirect\n0.502072 0.050803 0.722863 Li\n0.002006 0.552648 0.729723 Li\n0.996547 0.590009 0.207298 Li\n0.000871 0.013079 0.009990 Zr\n0.501035 0.486951 0.488080 Nb\n0.502325 0.500250 0.996821 Te\n0.001376 0.992647 0.504561 Te\n0.365348 0.489270 0.247624 O\n0.189467 0.668270 0.945488 O\n0.116418 0.973250 0.268017 O\n0.688334 0.791640 0.063842 O\n0.334968 0.190362 0.935569 O\n0.690277 0.176082 0.451175 O\n0.869758 0.977892 0.740845 O\n0.300022 0.798656 0.576738 O\n0.626851 0.487152 0.752024 O\n0.819540 0.676199 0.443943 O\n0.806022 0.330332 0.072677 O\n0.186755 0.294913 0.572522 O\n",
"nsites": 19,
"nelements": 5,
"elements": [
"Li",
"Zr",
"Nb",
"Te",
"O"
],
"chemical_system": "Li-Nb-O-Te-Zr",
"density": 5.04745916912125,
"density_atomic": 0.08855893053591127,
"volume": 214.5464029999252,
"volume_molar": 6.800150728511766,
"formula_full": "Li3 Zr1 Nb1 Te2 O12",
"formula_reduced": "Li3ZrNb(TeO6)2",
"formula_anonymous": "ABC2D3E12",
"energy_above_hull": 2.719211128070175,
"spacegroup": 1
},
{
"id": "jvasp-103850",
"created_at": "2022-09-04T14:37:00.321586Z",
"updated_at": "2022-09-04T14:37:00.321617Z",
"structure_string": "H10 C16 S2 N2 O2\n1.0\n3.731971 -0.083535 0.482342\n0.988187 8.655428 2.651449\n0.057139 -0.157274 10.409020\nH C S N O\n10 16 2 2 2\ndirect\n0.103126 0.356060 0.152757 H\n0.537952 0.995534 0.828921 H\n0.142489 0.227123 0.374841 H\n0.642489 0.727122 0.874841 H\n0.046928 0.372849 0.548880 H\n0.037951 0.495534 0.328921 H\n0.864648 0.825274 0.472913 H\n0.364649 0.325274 0.972913 H\n0.603126 0.856060 0.652757 H\n0.546928 0.872849 0.048880 H\n0.799257 0.191524 0.702752 C\n0.671671 0.045034 0.729769 C\n0.171671 0.545033 0.229769 C\n0.704578 0.968558 0.631754 C\n0.204578 0.468558 0.131754 C\n0.206882 0.920055 0.316105 C\n0.706882 0.420054 0.816105 C\n0.299256 0.691524 0.202752 C\n0.945883 0.260627 0.570768 C\n0.387770 0.531211 0.004285 C\n0.445884 0.760627 0.070767 C\n0.999433 0.179732 0.472708 C\n0.499434 0.679732 0.972708 C\n0.305391 0.751592 0.317960 C\n0.805393 0.251591 0.817960 C\n0.887771 0.031211 0.504285 C\n0.925231 0.137559 0.962632 S\n0.425230 0.637559 0.462633 S\n0.458006 0.429241 0.924176 N\n0.958006 0.929240 0.424176 N\n0.848922 0.528120 0.734566 O\n0.348920 0.028119 0.234567 O\n",
"nsites": 32,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.6020005915794957,
"density_atomic": 0.09458515568656127,
"volume": 338.3194727303978,
"volume_molar": 6.366898395723242,
"formula_full": "H10 C16 S2 N2 O2",
"formula_reduced": "H5C8SNO",
"formula_anonymous": "ABCD5E8",
"energy_above_hull": 5.503247296874999,
"spacegroup": 1
},
{
"id": "jvasp-28643",
"created_at": "2022-09-04T14:36:45.491070Z",
"updated_at": "2022-09-04T14:36:45.491091Z",
"structure_string": "Te2 Mo2 W2 Se4 S2\n1.0\n3.350700 0.000000 0.000000\n-1.675350 2.901706 0.000006\n0.000000 0.000082 37.937828\nTe Mo W Se S\n2 2 2 4 2\ndirect\n0.666644 0.333286 0.419600 Te\n0.666643 0.333286 0.519686 Te\n0.333330 0.666662 0.093971 Mo\n0.333316 0.666633 0.469678 Mo\n0.666680 0.333359 0.281733 W\n0.666684 0.333369 0.657576 W\n0.333357 0.666714 0.325878 Se\n0.333358 0.666718 0.701547 Se\n0.333355 0.666712 0.237547 Se\n0.333362 0.666726 0.613439 Se\n0.666636 0.333272 0.054085 S\n0.666636 0.333272 0.134008 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.378453892439533,
"density_atomic": 0.032532679105036946,
"volume": 368.85987659534845,
"volume_molar": 18.51105081311182,
"formula_full": "Te2 Mo2 W2 Se4 S2",
"formula_reduced": "TeMoWSe2S",
"formula_anonymous": "ABCDE2",
"energy_above_hull": 3.530261733333334,
"spacegroup": 156
},
{
"id": "jvasp-8408",
"created_at": "2022-09-04T14:37:00.763217Z",
"updated_at": "2022-09-04T14:37:00.763252Z",
"structure_string": "Ba1 Al1 Cu1 Bi1 O5\n1.0\n3.736723 -0.000000 -0.000000\n0.000000 3.736723 0.000000\n0.000000 0.000000 9.324358\nBa Al Cu Bi O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.942657 Ba\n0.000000 0.000000 0.556003 Al\n0.500000 0.500000 0.719066 Cu\n0.500000 0.500000 0.300124 Bi\n0.500000 0.000000 0.435455 O\n0.000000 0.500000 0.435455 O\n0.500000 0.000000 0.695492 O\n0.000000 0.500000 0.695492 O\n0.500000 0.500000 0.032332 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Al",
"Cu",
"Bi",
"O"
],
"chemical_system": "Al-Ba-Bi-Cu-O",
"density": 6.591703913695452,
"density_atomic": 0.06912605293703021,
"volume": 130.19693180223197,
"volume_molar": 8.71182499814624,
"formula_full": "Ba1 Al1 Cu1 Bi1 O5",
"formula_reduced": "BaAlCuBiO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 1.64653678,
"spacegroup": 99
},
{
"id": "jvasp-28651",
"created_at": "2022-09-04T14:36:47.169506Z",
"updated_at": "2022-09-04T14:36:47.169534Z",
"structure_string": "Te2 Mo3 W1 Se4 S2\n1.0\n3.346440 0.000000 0.000000\n-1.673220 2.898130 -0.000000\n0.000000 -0.000005 37.980493\nTe Mo W Se S\n2 3 1 4 2\ndirect\n0.333356 0.666711 0.707417 Te\n0.333356 0.666712 0.607648 Te\n0.333313 0.666626 0.093930 Mo\n0.333317 0.666634 0.469626 Mo\n0.666686 0.333372 0.657601 Mo\n0.666682 0.333363 0.281793 W\n0.333349 0.666699 0.325880 Se\n0.666648 0.333297 0.425746 Se\n0.666648 0.333296 0.513475 Se\n0.333350 0.666701 0.237685 Se\n0.666648 0.333296 0.054073 S\n0.666650 0.333299 0.133875 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 4.989632001411221,
"density_atomic": 0.032577649247110686,
"volume": 368.35070293060755,
"volume_molar": 18.48549818410886,
"formula_full": "Te2 Mo3 W1 Se4 S2",
"formula_reduced": "Te2Mo3W(Se2S)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 3.724783891666667,
"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-85550",
"created_at": "2022-09-04T14:36:18.090749Z",
"updated_at": "2022-09-04T14:36:18.090769Z",
"structure_string": "Rb2 Cd2 H4 I6 O2\n1.0\n5.461390 4.945281 -0.083493\n-5.461390 4.945281 0.083493\n-0.043391 0.000000 8.816563\nRb Cd H I O\n2 2 4 6 2\ndirect\n0.508031 0.719008 0.824673 Rb\n0.280992 0.491969 0.324673 Rb\n0.970706 0.966014 0.496979 Cd\n0.033986 0.029294 -0.003021 Cd\n0.126657 0.487072 0.680231 H\n0.512928 0.873343 0.180232 H\n0.274219 0.351428 0.703001 H\n0.648571 0.725781 0.203001 H\n0.796040 0.614206 0.487487 I\n0.385794 0.203960 0.987487 I\n0.846114 0.171722 0.242853 I\n0.828278 0.153886 0.742853 I\n0.348714 -0.004199 0.486657 I\n0.004199 0.651286 0.986656 I\n0.250620 0.465650 0.650617 O\n0.534349 0.749379 0.150617 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Rb",
"Cd",
"H",
"I",
"O"
],
"chemical_system": "Cd-H-I-O-Rb",
"density": 4.16080148934441,
"density_atomic": 0.033599219147461674,
"volume": 476.2015429518919,
"volume_molar": 17.923454511159242,
"formula_full": "Rb2 Cd2 H4 I6 O2",
"formula_reduced": "RbCdH2I3O",
"formula_anonymous": "ABCD2E3",
"energy_above_hull": 0.423310259375,
"spacegroup": 9
}
]
}