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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4346",
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"results": [
{
"id": "jvasp-34083",
"created_at": "2022-09-04T14:38:34.152310Z",
"updated_at": "2022-09-04T14:38:34.152339Z",
"structure_string": "Te7 Mo4 S1\n1.0\n3.504052 -0.203586 -14.161777\n1.580901 -3.147173 14.168466\n-3.517569 0.208210 -14.168065\nTe Mo S\n7 4 1\ndirect\n0.018965 0.334248 0.684749 Te\n0.606872 0.666562 0.940262 Te\n0.478623 0.667169 0.811433 Te\n0.890727 0.333222 0.557569 Te\n0.520098 0.331386 0.188750 Te\n0.110131 0.669397 0.440664 Te\n0.977927 0.666860 0.311024 Te\n0.208794 0.333120 0.875625 Mo\n0.298947 0.677322 0.621666 Mo\n0.711001 0.335013 0.375958 Mo\n0.775540 0.654063 0.121518 Mo\n0.402372 0.331640 0.070787 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Mo",
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],
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"density": 7.159521640191205,
"density_atomic": 0.03952466647136366,
"volume": 303.6078750644036,
"volume_molar": 15.236411329019436,
"formula_full": "Te7 Mo4 S1",
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"formula_anonymous": "AB4C7",
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"spacegroup": 8
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{
"id": "jvasp-116854",
"created_at": "2022-09-04T14:38:34.151637Z",
"updated_at": "2022-09-04T14:38:34.151658Z",
"structure_string": "Li3 La7 Fe2 O16\n1.0\n7.215502 -0.003202 2.068822\n-0.622025 7.188641 2.068822\n-0.027468 -0.029934 7.002022\nLi La Fe O\n3 7 2 16\ndirect\n0.987914 0.495330 0.028350 Li\n0.711165 0.711165 0.338587 Li\n0.495330 0.987914 0.028350 Li\n0.178873 0.678234 0.275980 La\n0.323233 0.818125 0.711367 La\n0.324887 0.324887 0.715321 La\n0.175299 0.175299 0.279480 La\n0.818124 0.323233 0.711367 La\n0.812600 0.812600 0.735650 La\n0.678233 0.178873 0.275980 La\n0.996115 0.996115 -0.001788 Fe\n0.497628 0.497628 0.014952 Fe\n0.394135 0.394135 0.342828 O\n0.241900 0.000812 0.993405 O\n0.096325 0.589551 0.635079 O\n0.397402 0.934237 0.351174 O\n0.496193 0.743188 0.989171 O\n0.499319 0.259296 0.991316 O\n0.591978 0.591978 0.632421 O\n0.003391 0.757482 0.992577 O\n0.743188 0.496193 0.989171 O\n0.589550 0.096325 0.635079 O\n0.934237 0.397402 0.351174 O\n0.000811 0.241900 0.993405 O\n0.083593 0.083594 0.652039 O\n0.911797 0.911797 0.353652 O\n0.757481 0.003392 0.992577 O\n0.259295 0.499320 0.991316 O\n",
"nsites": 28,
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"elements": [
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"O"
],
"chemical_system": "Fe-La-Li-O",
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"density_atomic": 0.07690774633689365,
"volume": 364.07255879461434,
"volume_molar": 7.830343556837654,
"formula_full": "Li3 La7 Fe2 O16",
"formula_reduced": "Li3La7(FeO8)2",
"formula_anonymous": "A2B3C7D16",
"energy_above_hull": 2.675538285714285,
"spacegroup": 8
},
{
"id": "jvasp-46714",
"created_at": "2022-09-04T14:38:34.670242Z",
"updated_at": "2022-09-04T14:38:34.670272Z",
"structure_string": "Li1 Fe2 P2 O8\n1.0\n4.794883 -0.008704 0.018534\n1.859508 4.419678 0.011949\n0.079770 0.062071 6.116698\nLi Fe P O\n1 2 2 8\ndirect\n0.676887 0.170599 0.264174 Li\n0.005483 0.499237 0.002888 Fe\n0.007014 0.500800 0.524701 Fe\n0.652637 0.146400 0.771468 P\n0.349205 0.842967 0.237768 P\n0.763283 0.257040 0.973379 O\n0.297494 0.269909 0.774732 O\n0.776143 0.791259 0.774732 O\n0.755623 0.249391 0.556456 O\n0.245984 0.739753 0.449563 O\n0.236669 0.202214 0.239302 O\n0.708459 0.730416 0.239305 O\n0.243167 0.736928 0.035201 O\n",
"nsites": 13,
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"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 3.950185057370561,
"density_atomic": 0.10021962073245588,
"volume": 129.71511870619145,
"volume_molar": 6.008943873452261,
"formula_full": "Li1 Fe2 P2 O8",
"formula_reduced": "LiFe2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 2.9501461538461538,
"spacegroup": 8
},
{
"id": "jvasp-9278",
"created_at": "2022-09-04T14:38:34.776074Z",
"updated_at": "2022-09-04T14:38:34.776102Z",
"structure_string": "Mg1 Sn4 O8\n1.0\n3.244227 0.001473 0.001073\n1.615728 7.479330 0.783643\n1.609003 2.536818 8.104436\nMg Sn O\n1 4 8\ndirect\n0.662319 0.893064 0.791691 Mg\n0.377567 0.817081 0.440240 Sn\n0.941847 0.339910 0.790358 Sn\n0.124793 0.594368 0.166906 Sn\n0.682059 0.209271 0.438747 Sn\n0.101844 0.383081 0.425403 O\n0.519839 0.727828 0.243977 O\n0.553316 0.197883 0.708899 O\n0.885799 0.651099 0.590214 O\n0.840019 0.008834 0.323493 O\n0.152900 0.779838 0.924278 O\n0.220301 -0.009880 0.583448 O\n0.714995 0.416986 0.163550 O\n",
"nsites": 13,
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"elements": [
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],
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"density": 5.475934117880507,
"density_atomic": 0.06835776096044653,
"volume": 190.1759188327148,
"volume_molar": 8.809739633638028,
"formula_full": "Mg1 Sn4 O8",
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"formula_anonymous": "AB4C8",
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"spacegroup": 8
},
{
"id": "jvasp-44403",
"created_at": "2022-09-04T14:38:34.888344Z",
"updated_at": "2022-09-04T14:38:34.888369Z",
"structure_string": "Li4 Cr3 O8\n1.0\n5.714278 -0.004676 0.007660\n2.851705 4.943392 0.003705\n2.858422 1.643899 5.023419\nLi Cr O\n4 3 8\ndirect\n-0.004665 0.002426 0.000677 Li\n0.363179 0.354305 0.927223 Li\n0.504369 0.497313 0.500376 Li\n0.648142 0.638786 0.073682 Li\n0.487194 0.001437 0.510202 Cr\n-0.001107 -0.000363 0.496434 Cr\n-0.001384 0.507180 0.494852 Cr\n0.232492 0.236661 0.295058 O\n0.227088 0.740866 0.291258 O\n0.744728 0.745340 0.293469 O\n0.745112 0.215285 0.293955 O\n0.761040 0.766764 0.705762 O\n0.787933 0.253255 0.705711 O\n0.257157 0.256943 0.709273 O\n0.257701 0.775514 0.709450 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Li",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O",
"density": 3.649129692123359,
"density_atomic": 0.10573736436566429,
"volume": 141.86092201169802,
"volume_molar": 5.695376271318853,
"formula_full": "Li4 Cr3 O8",
"formula_reduced": "Li4Cr3O8",
"formula_anonymous": "A3B4C8",
"energy_above_hull": 2.873436013333333,
"spacegroup": 8
},
{
"id": "jvasp-34030",
"created_at": "2022-09-04T14:38:35.037984Z",
"updated_at": "2022-09-04T14:38:35.038015Z",
"structure_string": "Te7 Mo6 S5\n1.0\n1.874620 2.850214 -0.000072\n-0.057926 0.037903 -13.937560\n-6.365935 6.228932 -0.042247\nTe Mo S\n7 6 5\ndirect\n0.247857 0.897270 0.504220 Te\n0.902205 0.611216 0.195538 Te\n0.764625 0.383483 0.470804 Te\n0.423282 0.098278 0.153514 Te\n0.578475 0.625517 0.842984 Te\n0.570093 0.891064 0.859728 Te\n0.087747 0.377560 0.824543 Te\n0.459575 0.749673 0.080802 Mo\n0.203402 0.247454 0.593252 Mo\n0.133705 0.761035 0.732527 Mo\n0.869571 0.238196 0.260911 Mo\n0.797106 0.755574 0.405739 Mo\n0.536545 0.237520 0.926944 Mo\n0.426431 0.340637 0.147189 S\n0.240481 0.653298 0.518997 S\n0.095292 0.136448 0.809468 S\n0.909273 0.854925 0.181388 S\n0.754319 0.140854 0.491447 S\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "Mo-S-Te",
"density": 6.508985998621432,
"density_atomic": 0.043308353557683955,
"volume": 415.6242046012013,
"volume_molar": 13.905263685397077,
"formula_full": "Te7 Mo6 S5",
"formula_reduced": "Te7Mo6S5",
"formula_anonymous": "A5B6C7",
"energy_above_hull": 3.587861653703704,
"spacegroup": 8
},
{
"id": "jvasp-9279",
"created_at": "2022-09-04T14:38:35.279015Z",
"updated_at": "2022-09-04T14:38:35.279029Z",
"structure_string": "Ca1 Bi4 O8\n1.0\n3.489496 0.004615 0.003432\n1.735092 6.872268 0.604221\n1.732608 2.429330 9.080281\nCa Bi O\n1 4 8\ndirect\n0.675265 0.872184 0.789258 Ca\n0.390675 0.754304 0.476344 Bi\n0.903920 0.350279 0.853857 Bi\n0.135194 0.611545 0.130045 Bi\n0.668046 0.227351 0.448549 Bi\n0.062446 0.517237 0.369855 O\n0.558407 0.826189 0.068969 O\n0.511865 0.231460 0.756788 O\n0.860451 0.628628 0.662460 O\n0.839506 -0.030378 0.363348 O\n0.242508 0.624762 0.902193 O\n0.207507 0.002366 0.594606 O\n0.721808 0.393441 0.174934 O\n",
"nsites": 13,
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"elements": [
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"Bi",
"O"
],
"chemical_system": "Bi-Ca-O",
"density": 7.844203089422645,
"density_atomic": 0.061166216918764144,
"volume": 212.53562268311467,
"volume_molar": 9.845534125476657,
"formula_full": "Ca1 Bi4 O8",
"formula_reduced": "Ca(BiO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.006655816923077,
"spacegroup": 8
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{
"id": "jvasp-45173",
"created_at": "2022-09-04T14:38:35.308691Z",
"updated_at": "2022-09-04T14:38:35.308717Z",
"structure_string": "Li4 Mn3 V2 Ni3 O16\n1.0\n5.723643 -0.000170 0.000611\n-2.861567 5.009440 0.025663\n-0.000935 -0.175359 9.316673\nLi Mn V Ni O\n4 3 2 3 16\ndirect\n0.335942 0.671901 0.100419 Li\n0.002021 0.004084 0.008792 Li\n0.997678 0.995382 0.501802 Li\n0.667933 0.335885 0.601489 Li\n0.165788 0.824841 0.783628 Mn\n0.659027 0.824838 0.783624 Mn\n0.824642 0.649298 0.280632 Mn\n0.329570 0.659166 0.500520 V\n0.654949 0.309934 0.010232 V\n0.829833 0.170059 0.287388 Ni\n0.169589 0.339202 0.785874 Ni\n0.340208 0.170060 0.287391 Ni\n0.835931 0.671897 0.898820 O\n0.340535 0.165660 0.907260 O\n0.670721 0.341470 0.393399 O\n0.965240 0.494972 0.154448 O\n0.529720 0.494981 0.154452 O\n0.170755 0.341529 0.417810 O\n0.491203 0.533148 0.659404 O\n0.482348 0.964713 0.665379 O\n0.654368 0.815962 0.407343 O\n0.994889 0.989785 0.197751 O\n0.995022 0.990055 0.691257 O\n0.340320 0.680675 0.891757 O\n0.522860 0.045735 0.147275 O\n0.161573 0.815958 0.407342 O\n0.041926 0.533147 0.659406 O\n0.825099 0.165658 0.907257 O\n",
"nsites": 28,
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"elements": [
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"Mn",
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],
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"density": 4.5159186207252695,
"density_atomic": 0.10480945239303312,
"volume": 267.1514769011541,
"volume_molar": 5.745799279073711,
"formula_full": "Li4 Mn3 V2 Ni3 O16",
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{
"id": "jvasp-33907",
"created_at": "2022-09-04T14:38:35.255250Z",
"updated_at": "2022-09-04T14:38:35.255268Z",
"structure_string": "Te7 Mo6 S5\n1.0\n-1.870696 -2.852346 0.000031\n6.398194 -6.236190 -0.089970\n-1.632836 3.110797 14.084627\nTe Mo S\n7 6 5\ndirect\n0.472203 0.164438 0.108849 Te\n0.106459 0.401408 0.614332 Te\n0.520269 0.843640 0.884193 Te\n0.225756 0.928854 0.380342 Te\n0.153502 0.809539 0.116528 Te\n0.431759 0.760927 0.624460 Te\n0.905856 0.578672 0.390352 Te\n0.306212 0.642725 0.255132 Mo\n0.703524 0.345871 0.752923 Mo\n0.628693 0.987163 0.244550 Mo\n0.037729 0.676243 0.751691 Mo\n0.966567 0.315431 0.248567 Mo\n0.360552 0.036738 0.757857 Mo\n0.823892 0.501741 0.149489 S\n0.554486 0.241269 0.350235 S\n0.843434 0.179309 0.866191 S\n0.180821 0.494641 0.856288 S\n0.778307 0.091380 0.648023 S\n",
"nsites": 18,
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"elements": [
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],
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"density": 6.434864034715756,
"density_atomic": 0.04281517378745602,
"volume": 420.41170005185484,
"volume_molar": 14.065435749239828,
"formula_full": "Te7 Mo6 S5",
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"formula_anonymous": "A5B6C7",
"energy_above_hull": 3.5881688759259256,
"spacegroup": 8
},
{
"id": "jvasp-44406",
"created_at": "2022-09-04T14:38:35.315438Z",
"updated_at": "2022-09-04T14:38:35.315467Z",
"structure_string": "Li4 V3 Cr3 W2 O16\n1.0\n5.861128 -0.001352 0.000286\n-2.929384 5.073737 0.017154\n-0.000131 0.017556 9.589778\nLi V Cr W O\n4 3 3 2 16\ndirect\n0.331564 0.663152 0.096264 Li\n0.001754 0.003533 0.007327 Li\n0.993778 0.987590 0.506856 Li\n0.664097 0.328212 0.599927 Li\n0.174387 0.348788 0.782016 V\n0.344310 0.165735 0.285780 V\n0.821410 0.165740 0.285778 V\n0.661863 0.832220 0.785667 Cr\n0.830869 0.661751 0.286609 Cr\n0.170339 0.832223 0.785670 Cr\n0.327321 0.654671 0.514726 W\n0.667290 0.334608 0.010213 W\n0.832324 0.664675 0.906909 O\n0.339874 0.173164 0.905550 O\n0.667099 0.334226 0.397688 O\n0.960253 0.483167 0.156595 O\n0.522894 0.483172 0.156601 O\n0.165725 0.331480 0.406088 O\n0.493868 0.525549 0.654969 O\n0.479873 0.959754 0.660006 O\n0.655737 0.828275 0.405271 O\n0.001761 0.003529 0.193027 O\n0.001158 0.002320 0.690346 O\n0.336148 0.672329 0.895794 O\n0.516591 0.033195 0.150682 O\n0.172515 0.828267 0.405273 O\n0.031657 0.525543 0.654978 O\n0.833266 0.173157 0.905550 O\n",
"nsites": 28,
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"elements": [
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"V",
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],
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"density": 5.592100788481177,
"density_atomic": 0.09819760025453837,
"volume": 285.1393509354719,
"volume_molar": 6.1326760983873205,
"formula_full": "Li4 V3 Cr3 W2 O16",
"formula_reduced": "Li4V3Cr3(WO8)2",
"formula_anonymous": "A2B3C3D4E16",
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"spacegroup": 8
},
{
"id": "jvasp-119136",
"created_at": "2022-09-04T14:38:35.359496Z",
"updated_at": "2022-09-04T14:38:35.359528Z",
"structure_string": "Ti2 Al2 Cr1 Cu1 S8\n1.0\n6.061794 0.000416 3.492797\n-4.058256 5.920420 0.000000\n-0.000000 0.000000 6.985593\nTi Al Cr Cu S\n2 2 1 1 8\ndirect\n0.024464 0.006740 0.464397 Ti\n0.024464 0.006740 0.011138 Ti\n0.237243 0.608703 0.631378 Al\n0.494979 0.497241 0.002511 Al\n0.474701 0.002863 0.012650 Cr\n0.749703 0.376445 0.375149 Cu\n0.006648 0.754093 0.246676 S\n0.013373 0.249507 0.243314 S\n0.498071 0.252516 0.768812 S\n0.498071 0.252516 0.233116 S\n0.973972 0.221735 0.763014 S\n0.987270 0.756085 0.756365 S\n0.508518 0.757410 0.229417 S\n0.508518 0.757410 0.762065 S\n",
"nsites": 14,
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"elements": [
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],
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"density": 3.455745851706123,
"density_atomic": 0.05584067212020487,
"volume": 250.71331465823047,
"volume_molar": 10.784506223414537,
"formula_full": "Ti2 Al2 Cr1 Cu1 S8",
"formula_reduced": "Ti2Al2CrCuS8",
"formula_anonymous": "ABC2D2E8",
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"spacegroup": 8
},
{
"id": "jvasp-34043",
"created_at": "2022-09-04T14:38:36.384724Z",
"updated_at": "2022-09-04T14:38:36.384748Z",
"structure_string": "Te8 Mo6 S4\n1.0\n-1.542893 3.078430 0.000048\n7.149645 5.509461 0.022489\n1.834247 2.845555 -14.052476\nTe Mo S\n8 6 4\ndirect\n0.299759 0.009378 0.391165 Te\n0.353661 0.673579 0.619035 Te\n0.265644 0.589517 0.879115 Te\n0.980415 0.657481 0.381757 Te\n0.738352 0.412307 0.111090 Te\n0.029618 0.323831 0.616861 Te\n0.940685 0.237393 0.881152 Te\n0.058321 0.762878 0.120579 Te\n0.543288 0.164352 0.748994 Mo\n0.796279 0.155255 0.252252 Mo\n0.195927 0.858935 0.749126 Mo\n0.458147 0.828754 0.255023 Mo\n0.869869 0.511018 0.749193 Mo\n0.136315 0.482151 0.245305 Mo\n0.385682 0.077924 0.150789 S\n0.651927 0.346096 0.350145 S\n0.611303 0.919311 0.857979 S\n0.684815 0.989845 0.640441 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
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],
"chemical_system": "Mo-S-Te",
"density": 6.676299457188542,
"density_atomic": 0.041960982885018476,
"volume": 428.9699325996156,
"volume_molar": 14.351762866236655,
"formula_full": "Te8 Mo6 S4",
"formula_reduced": "Te4Mo3S2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 3.288398751851852,
"spacegroup": 8
}
]
}