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=4616",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4614",
"results": [
{
"id": "jvasp-46796",
"created_at": "2022-09-04T14:38:04.293644Z",
"updated_at": "2022-09-04T14:38:04.293663Z",
"structure_string": "Li6 Cr2 P2 C2 O14\n1.0\n0.000000 4.944552 0.122823\n6.435871 0.000000 0.000000\n0.000000 -0.960971 -8.526783\nLi Cr P C O\n6 2 2 2 14\ndirect\n0.831180 0.109224 0.929087 Li\n0.262675 0.530968 0.689400 Li\n0.776683 0.767990 0.619872 Li\n0.223317 0.267990 0.380128 Li\n0.737325 0.030968 0.310600 Li\n0.168820 0.609224 0.070913 Li\n0.262393 0.987221 0.738602 Cr\n0.737607 0.487221 0.261398 Cr\n0.245092 0.796662 0.389286 P\n0.754908 0.296662 0.610714 P\n0.664656 0.724817 0.947893 C\n0.335344 0.224817 0.052107 C\n0.493553 0.242839 0.186725 O\n0.133383 0.594128 0.300356 O\n0.118721 0.987018 0.303112 O\n0.838291 0.287310 0.440972 O\n0.562057 0.794283 0.403859 O\n0.437943 0.294283 0.596141 O\n0.903786 0.802806 0.968473 O\n0.881279 0.487018 0.696888 O\n0.866617 0.094128 0.699644 O\n0.506447 0.742839 0.813275 O\n0.433872 0.124733 0.940430 O\n0.566128 0.624733 0.059570 O\n0.161709 0.787310 0.559028 O\n0.096214 0.302806 0.031527 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Li",
"Cr",
"P",
"C",
"O"
],
"chemical_system": "C-Cr-Li-O-P",
"density": 2.7959513589138454,
"density_atomic": 0.09608848878823696,
"volume": 270.5839203830094,
"volume_molar": 6.267286368996598,
"formula_full": "Li6 Cr2 P2 C2 O14",
"formula_reduced": "Li3CrPCO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 2.935610569230769,
"spacegroup": 4
},
{
"id": "jvasp-52445",
"created_at": "2022-09-04T14:37:34.410580Z",
"updated_at": "2022-09-04T14:37:34.410612Z",
"structure_string": "Fe2 Te4 H3 Cl1 O12\n1.0\n5.123516 0.021333 0.042430\n1.531598 6.554825 0.008354\n1.759999 2.309268 8.516827\nFe Te H Cl O\n2 4 3 1 12\ndirect\n0.723164 0.148334 0.446380 Fe\n0.276837 0.851666 0.553620 Fe\n0.886232 0.663120 0.309913 Te\n0.113769 0.336879 0.690087 Te\n0.658300 0.830405 0.835304 Te\n0.341702 0.169594 0.164696 Te\n0.558413 0.534950 0.209588 H\n0.441589 0.465049 0.790412 H\n0.000000 0.500000 -0.000000 H\n0.000000 0.000000 0.000000 Cl\n0.112170 0.041095 0.352327 O\n0.887832 0.958904 0.647673 O\n0.545899 0.290036 0.261430 O\n0.454102 0.709963 0.738570 O\n0.407156 0.315859 0.808659 O\n0.808188 0.406700 0.463734 O\n0.363441 0.132454 0.588620 O\n0.636560 0.867546 0.411379 O\n0.191814 0.593299 0.536265 O\n0.899196 0.565300 0.880037 O\n0.592846 0.684140 0.191340 O\n0.100806 0.434699 0.119962 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Fe",
"Te",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-Fe-H-O-Te",
"density": 4.961987800762064,
"density_atomic": 0.0771089015346759,
"volume": 285.31076908295205,
"volume_molar": 7.809916417097242,
"formula_full": "Fe2 Te4 H3 Cl1 O12",
"formula_reduced": "Fe2Te4H3ClO12",
"formula_anonymous": "AB2C3D4E12",
"energy_above_hull": 2.67767355155303,
"spacegroup": 2
},
{
"id": "jvasp-32877",
"created_at": "2022-09-04T14:37:55.833085Z",
"updated_at": "2022-09-04T14:37:55.833104Z",
"structure_string": "Ni4 H16 C8 S16 N8\n1.0\n7.032317 0.041532 0.000000\n0.006073 8.448827 0.000000\n0.000000 0.000000 12.732671\nNi H C S N\n4 16 8 16 8\ndirect\n0.861224 0.975495 0.873391 Ni\n0.638776 0.524505 0.373391 Ni\n0.138776 0.024505 0.126609 Ni\n0.361224 0.475495 0.626608 Ni\n0.514194 0.883351 0.853347 H\n0.309650 0.446884 0.912742 H\n0.014194 0.383351 0.646653 H\n0.190350 0.053116 0.412742 H\n0.682876 0.042878 0.487584 H\n0.866224 0.484305 0.736120 H\n0.633777 0.015695 0.236120 H\n0.182875 0.542879 0.012416 H\n0.809651 0.946884 0.587258 H\n0.985806 0.616649 0.353347 H\n0.485806 0.116649 0.146653 H\n0.817125 0.457122 0.987584 H\n0.690349 0.553116 0.087258 H\n0.317124 0.957122 0.512416 H\n0.133776 0.515695 0.263880 H\n0.366223 0.984306 0.763880 H\n0.604021 0.254125 0.261776 C\n0.191726 0.300869 0.025043 C\n0.395979 0.745875 0.738224 C\n0.808274 0.699131 0.974957 C\n0.691726 0.800869 0.474957 C\n0.104020 0.754126 0.238224 C\n0.308274 0.199131 0.525043 C\n0.895980 0.245874 0.761776 C\n0.282578 0.121500 0.985940 S\n0.782578 0.621500 0.514060 S\n0.506679 0.434498 0.228217 S\n0.051523 0.275922 0.133761 S\n0.448477 0.224078 0.633761 S\n0.493321 0.565502 0.771783 S\n0.993322 0.065503 0.728217 S\n0.948477 0.724078 0.866239 S\n0.258883 0.724588 0.627755 S\n0.217422 0.378500 0.485940 S\n0.717422 0.878500 0.014060 S\n0.006678 0.934498 0.271783 S\n0.741117 0.275412 0.372245 S\n0.241116 0.775413 0.127755 S\n0.758884 0.224587 0.872245 S\n0.551523 0.775922 0.366239 S\n0.575433 0.120564 0.210557 N\n0.225271 0.438012 0.978495 N\n0.075432 0.620565 0.289443 N\n0.924568 0.379435 0.710557 N\n0.274729 0.061988 0.478495 N\n0.424567 0.879436 0.789443 N\n0.725271 0.938012 0.521505 N\n0.774729 0.561988 0.021505 N\n",
"nsites": 52,
"nelements": 5,
"elements": [
"Ni",
"H",
"C",
"S",
"N"
],
"chemical_system": "C-H-N-Ni-S",
"density": 2.133725281791461,
"density_atomic": 0.06873703786687813,
"volume": 756.5062681448032,
"volume_molar": 8.761129293442902,
"formula_full": "Ni4 H16 C8 S16 N8",
"formula_reduced": "NiH4C2(S2N)2",
"formula_anonymous": "AB2C2D4E4",
"energy_above_hull": 3.892320684615384,
"spacegroup": 14
},
{
"id": "jvasp-28898",
"created_at": "2022-09-04T14:37:05.436096Z",
"updated_at": "2022-09-04T14:37:05.436124Z",
"structure_string": "Te2 Mo1 W3 Se4 S2\n1.0\n3.348823 -0.000000 -0.000000\n-1.674412 2.900176 0.000000\n-0.000000 0.000009 37.911439\nTe Mo W Se S\n2 1 3 4 2\ndirect\n0.333357 0.666713 0.707780 Te\n0.333357 0.666716 0.607082 Te\n0.333282 0.666564 0.469666 Mo\n0.333318 0.666634 0.093946 W\n0.666698 0.333397 0.281841 W\n0.666694 0.333389 0.657496 W\n0.333356 0.666713 0.326016 Se\n0.666647 0.333295 0.049877 Se\n0.666638 0.333275 0.138108 Se\n0.333355 0.666712 0.237620 Se\n0.666651 0.333300 0.429610 S\n0.666650 0.333300 0.509707 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.784471342253618,
"density_atomic": 0.03259075554815554,
"volume": 368.2025715012653,
"volume_molar": 18.47806428145487,
"formula_full": "Te2 Mo1 W3 Se4 S2",
"formula_reduced": "Te2MoW3(Se2S)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.125766241666668,
"spacegroup": 156
},
{
"id": "jvasp-59630",
"created_at": "2022-09-04T14:37:05.117553Z",
"updated_at": "2022-09-04T14:37:05.117577Z",
"structure_string": "Rb2 Fe1 Cu1 C6 N6\n1.0\n6.295837 0.000000 3.634903\n2.098612 5.935771 3.634903\n-0.000000 0.000000 7.269806\nRb Fe Cu C N\n2 1 1 6 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Cu\n0.182579 0.817421 0.182579 C\n0.817421 0.182579 0.817421 C\n0.182579 0.817421 0.817421 C\n0.817421 0.817421 0.182578 C\n0.817421 0.182579 0.182578 C\n0.182579 0.182579 0.817421 C\n0.703095 0.703095 0.296905 N\n0.296905 0.703095 0.703095 N\n0.703095 0.296905 0.703095 N\n0.296905 0.703095 0.296905 N\n0.703095 0.296905 0.296905 N\n0.296905 0.296905 0.703095 N\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Rb",
"Fe",
"Cu",
"C",
"N"
],
"chemical_system": "C-Cu-Fe-N-Rb",
"density": 2.7286636591414375,
"density_atomic": 0.05889338920540941,
"volume": 271.6773514968703,
"volume_molar": 10.225495325113435,
"formula_full": "Rb2 Fe1 Cu1 C6 N6",
"formula_reduced": "Rb2FeCu(CN)6",
"formula_anonymous": "ABC2D6E6",
"energy_above_hull": 5.320863465625,
"spacegroup": 225
},
{
"id": "jvasp-11411",
"created_at": "2022-09-04T14:37:03.906104Z",
"updated_at": "2022-09-04T14:37:03.906133Z",
"structure_string": "Sr3 Sc2 Cu2 S2 O5\n1.0\n4.044359 0.000000 -0.626703\n-0.097113 4.043193 -0.626703\n-0.010843 -0.011106 13.293283\nSr Sc Cu S O\n3 2 2 2 5\ndirect\n0.500000 0.500000 0.000000 Sr\n0.644709 0.644707 0.289416 Sr\n0.355293 0.355291 0.710584 Sr\n0.923419 0.923417 0.846836 Sc\n0.076582 0.076582 0.153164 Sc\n0.250001 0.749999 0.500000 Cu\n0.750001 0.249999 0.500000 Cu\n0.802030 0.802028 0.604058 S\n0.197971 0.197970 0.395942 S\n0.000000 0.000000 0.000000 O\n0.413487 0.913484 0.826973 O\n0.913487 0.413485 0.826973 O\n0.086515 0.586514 0.173028 O\n0.586515 0.086514 0.173028 O\n",
"nsites": 14,
"nelements": 5,
"elements": [
"Sr",
"Sc",
"Cu",
"S",
"O"
],
"chemical_system": "Cu-O-S-Sc-Sr",
"density": 4.767968486418981,
"density_atomic": 0.0644219863145532,
"volume": 217.3171117643316,
"volume_molar": 9.34795883286755,
"formula_full": "Sr3 Sc2 Cu2 S2 O5",
"formula_reduced": "Sr3Sc2Cu2S2O5",
"formula_anonymous": "A2B2C2D3E5",
"energy_above_hull": 1.446281987857143,
"spacegroup": 139
},
{
"id": "jvasp-28842",
"created_at": "2022-09-04T14:37:03.728948Z",
"updated_at": "2022-09-04T14:37:03.728974Z",
"structure_string": "Te2 Mo1 W3 Se2 S4\n1.0\n3.309535 0.000000 0.000000\n-1.654768 2.866157 0.000161\n0.000000 0.002100 40.723856\nTe Mo W Se S\n2 1 3 2 4\ndirect\n0.666693 0.333384 0.421081 Te\n0.666622 0.333241 0.515179 Te\n0.333323 0.666646 0.468147 Mo\n0.333389 0.666777 0.094004 W\n0.666678 0.333354 0.280569 W\n0.666612 0.333223 0.660215 W\n0.333245 0.666489 0.701552 Se\n0.333310 0.666622 0.618762 Se\n0.333315 0.666632 0.318270 S\n0.666753 0.333504 0.056392 S\n0.666693 0.333385 0.131695 S\n0.333374 0.666749 0.242881 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.11042077757439,
"density_atomic": 0.031064573812473045,
"volume": 386.29211758835595,
"volume_molar": 19.385879221629597,
"formula_full": "Te2 Mo1 W3 Se2 S4",
"formula_reduced": "Te2MoW3(SeS2)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.220089847222222,
"spacegroup": 156
},
{
"id": "jvasp-48610",
"created_at": "2022-09-04T14:37:05.593311Z",
"updated_at": "2022-09-04T14:37:05.593333Z",
"structure_string": "Li1 Nb1 Te2 W1 O12\n1.0\n5.107997 -0.000587 -0.000398\n-0.002268 5.381332 -0.032451\n-0.006099 -0.444567 7.415912\nLi Nb Te W O\n1 1 2 1 12\ndirect\n0.501778 0.928407 0.281941 Li\n0.506237 0.504114 0.506597 Nb\n0.004779 0.008238 0.494341 Te\n0.493465 0.504595 0.998841 Te\n0.993848 0.006215 0.989692 W\n0.693615 0.200535 0.941391 O\n0.314383 0.186324 0.429096 O\n0.824259 0.315634 0.554434 O\n0.192743 0.303414 0.056002 O\n0.376783 0.506601 0.755031 O\n0.801105 0.705915 0.938941 O\n0.874282 0.010945 0.244333 O\n0.197019 0.710172 0.435535 O\n0.694309 0.827053 0.546182 O\n0.305951 0.817910 0.059428 O\n0.611953 0.520018 0.241172 O\n0.112135 0.005034 0.749605 O\n",
"nsites": 17,
"nelements": 5,
"elements": [
"Li",
"Nb",
"Te",
"W",
"O"
],
"chemical_system": "Li-Nb-O-Te-W",
"density": 5.9558996439287775,
"density_atomic": 0.08342592110647397,
"volume": 203.77359667750525,
"volume_molar": 7.218548719784735,
"formula_full": "Li1 Nb1 Te2 W1 O12",
"formula_reduced": "LiNbTe2WO12",
"formula_anonymous": "ABCD2E12",
"energy_above_hull": 3.201250407843137,
"spacegroup": 1
},
{
"id": "jvasp-32703",
"created_at": "2022-09-04T14:37:03.408599Z",
"updated_at": "2022-09-04T14:37:03.408609Z",
"structure_string": "Mn1 H10 S2 N4 O8\n1.0\n5.275259 0.012458 -1.356904\n-1.037394 5.705239 -0.268458\n-0.034000 -0.003009 7.386948\nMn H S N O\n1 10 2 4 8\ndirect\n0.000000 0.000000 0.000000 Mn\n0.780773 0.451799 0.826810 H\n0.560982 0.216287 0.710435 H\n0.219228 0.548202 0.173191 H\n0.902971 0.711605 0.277199 H\n0.871151 0.066252 0.613479 H\n0.097029 0.288396 0.722802 H\n0.712867 0.407343 0.586725 H\n0.287134 0.592658 0.413276 H\n0.439019 0.783714 0.289566 H\n0.128850 0.933748 0.386522 H\n0.639241 0.252329 0.221438 S\n0.360760 0.747672 0.778563 S\n0.069295 0.819251 0.266403 N\n0.265429 0.673092 0.286685 N\n0.930706 0.180749 0.733598 N\n0.734572 0.326908 0.713315 N\n0.694887 0.467223 0.353249 O\n0.833280 0.275323 0.108763 O\n0.375727 0.232404 0.093581 O\n0.660475 0.044386 0.329889 O\n0.339526 0.955614 0.670112 O\n0.624274 0.767597 0.906420 O\n0.166721 0.724678 0.891238 O\n0.305114 0.532777 0.646752 O\n",
"nsites": 25,
"nelements": 5,
"elements": [
"Mn",
"H",
"S",
"N",
"O"
],
"chemical_system": "H-Mn-N-O-S",
"density": 2.3409384563143583,
"density_atomic": 0.11253860429530375,
"volume": 222.1459929821011,
"volume_molar": 5.351177756032739,
"formula_full": "Mn1 H10 S2 N4 O8",
"formula_reduced": "MnH10S2(NO2)4",
"formula_anonymous": "AB2C4D8E10",
"energy_above_hull": 3.731837929655172,
"spacegroup": 2
},
{
"id": "jvasp-103814",
"created_at": "2022-09-04T14:36:52.971144Z",
"updated_at": "2022-09-04T14:36:52.971175Z",
"structure_string": "H6 C4 S2 N2 O2\n1.0\n4.167958 0.067750 0.135451\n1.943747 6.206531 0.178332\n-0.101585 -0.242082 6.816741\nH C S N O\n6 4 2 2 2\ndirect\n0.895900 0.967169 0.157218 H\n0.895902 0.467169 0.657214 H\n0.657599 0.869176 0.332894 H\n0.657601 0.369179 0.832893 H\n0.171987 0.777864 0.537813 H\n0.171994 0.277865 0.037810 H\n0.915717 0.852149 0.276744 C\n0.915719 0.352151 0.776743 C\n0.080203 0.124435 0.699983 C\n0.080203 0.624434 0.199982 C\n0.364186 0.933689 0.817170 S\n0.364186 0.433688 0.317168 S\n0.138099 0.890562 0.427996 N\n0.138102 0.390566 0.927992 N\n0.960141 0.098782 0.523448 O\n0.960141 0.598783 0.023447 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.685031646154789,
"density_atomic": 0.0910944057089019,
"volume": 175.64196039797483,
"volume_molar": 6.610878805493437,
"formula_full": "H6 C4 S2 N2 O2",
"formula_reduced": "H3C2SNO",
"formula_anonymous": "ABCD2E3",
"energy_above_hull": 4.25771459375,
"spacegroup": 1
},
{
"id": "jvasp-8422",
"created_at": "2022-09-04T14:37:03.414959Z",
"updated_at": "2022-09-04T14:37:03.414984Z",
"structure_string": "Ba1 Y1 Cu1 Mo1 O5\n1.0\n3.972471 0.000000 0.000000\n0.000000 3.972471 -0.000000\n0.000000 0.000000 7.623522\nBa Y Cu Mo O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.013515 Ba\n0.000000 0.000000 0.556799 Y\n0.500000 0.500000 0.725485 Cu\n0.500000 0.500000 0.327589 Mo\n0.500000 0.000000 0.339755 O\n0.000000 0.500000 0.339755 O\n0.500000 0.000000 0.720779 O\n0.000000 0.500000 0.720779 O\n0.500000 0.500000 0.067626 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Y",
"Cu",
"Mo",
"O"
],
"chemical_system": "Ba-Cu-Mo-O-Y",
"density": 6.428253389183483,
"density_atomic": 0.07481098632908713,
"volume": 120.30318595733748,
"volume_molar": 8.049807996794906,
"formula_full": "Ba1 Y1 Cu1 Mo1 O5",
"formula_reduced": "BaYCuMoO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.40206503,
"spacegroup": 99
},
{
"id": "jvasp-103812",
"created_at": "2022-09-04T14:36:51.521833Z",
"updated_at": "2022-09-04T14:36:51.521851Z",
"structure_string": "H6 C6 S2 N2 O2\n1.0\n4.827502 0.027834 0.942208\n0.743944 5.992790 1.536424\n-0.160107 -0.292305 6.489792\nH C S N O\n6 6 2 2 2\ndirect\n0.261014 -0.031903 0.296225 H\n0.625742 0.540958 0.276430 H\n0.639041 0.717658 0.032562 H\n0.297443 0.547144 0.684348 H\n0.601463 0.150466 0.880014 H\n0.667714 0.142269 0.609654 H\n0.813449 0.832318 0.259921 C\n0.837822 0.396313 0.700928 C\n0.609422 0.258019 0.722528 C\n0.124995 0.262128 0.715063 C\n0.596458 0.717399 0.205705 C\n0.107326 0.704200 0.236080 C\n0.163953 0.452041 0.173745 S\n0.164643 0.986602 0.757072 S\n0.310178 0.812091 0.260382 N\n0.335756 0.378768 0.696417 N\n0.800947 0.599294 0.676322 O\n0.767132 0.017771 0.305732 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.7632090017830084,
"density_atomic": 0.09449960575853261,
"volume": 190.4769851209113,
"volume_molar": 6.372662310769742,
"formula_full": "H6 C6 S2 N2 O2",
"formula_reduced": "H3C3SNO",
"formula_anonymous": "ABCD3E3",
"energy_above_hull": 4.620888527777778,
"spacegroup": 1
}
]
}