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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=494",
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"results": [
{
"id": "jvasp-31901",
"created_at": "2022-09-04T14:38:15.703760Z",
"updated_at": "2022-09-04T14:38:15.703801Z",
"structure_string": "Sb1 I3 Br2 Cl6\n1.0\n7.146852 -0.032621 0.857734\n1.059731 7.154389 0.286108\n-0.003664 0.053322 7.707742\nSb I Br Cl\n1 3 2 6\ndirect\n0.000000 0.500000 0.500000 Sb\n0.336375 0.771364 0.825302 I\n0.000000 0.000000 0.000000 I\n0.663625 0.228636 0.174697 I\n0.513408 0.747676 0.093491 Br\n0.486593 0.252324 0.906509 Br\n0.840421 0.218313 0.500056 Cl\n0.903117 0.526845 0.805713 Cl\n0.159579 0.781687 0.499943 Cl\n0.288695 0.298892 0.557616 Cl\n0.711305 0.701108 0.442384 Cl\n0.096884 0.473155 0.194286 Cl\n",
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"formula_full": "Sb1 I3 Br2 Cl6",
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{
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"updated_at": "2022-09-04T14:38:08.922372Z",
"structure_string": "Li3 Fe1 Sb4 O12\n1.0\n5.166202 0.017412 -0.001664\n0.030973 5.627125 0.036250\n0.004390 0.649411 7.616235\nLi Fe Sb O\n3 1 4 12\ndirect\n0.497940 0.057752 0.790993 Li\n0.000457 0.572159 0.780624 Li\n0.498821 0.038343 0.277267 Li\n0.994348 0.613659 0.300577 Fe\n-0.000845 -0.005572 0.994083 Sb\n0.502940 0.483347 0.498587 Sb\n0.006705 0.021721 0.509518 Sb\n0.493368 0.487066 -0.002434 Sb\n0.299678 0.785521 0.904338 O\n0.152574 0.635509 0.530004 O\n0.832173 0.651397 0.068877 O\n0.321962 0.459769 0.241934 O\n0.641587 0.471148 0.748041 O\n0.851351 0.955154 0.761189 O\n0.819727 0.336960 0.383694 O\n0.664450 0.158036 0.057728 O\n0.141524 0.928590 0.236930 O\n0.705392 0.775534 0.395074 O\n0.193370 0.289429 0.906475 O\n0.382467 0.143683 0.546101 O\n",
"nsites": 20,
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"elements": [
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],
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"density_atomic": 0.09038125624916311,
"volume": 221.2848197735157,
"volume_molar": 6.663041663636715,
"formula_full": "Li3 Fe1 Sb4 O12",
"formula_reduced": "Li3Fe(SbO3)4",
"formula_anonymous": "AB3C4D12",
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"spacegroup": 1
},
{
"id": "jvasp-46777",
"created_at": "2022-09-04T14:38:08.906937Z",
"updated_at": "2022-09-04T14:38:08.906947Z",
"structure_string": "Li8 Mn2 O4 F4\n1.0\n0.000000 5.974332 0.059100\n4.932059 0.000000 0.000000\n0.000000 -1.122285 -6.010755\nLi Mn O F\n8 2 4 4\ndirect\n0.166667 0.475999 0.920647 Li\n0.391894 0.992187 0.795473 Li\n0.608107 0.492187 0.704528 Li\n0.833335 0.975999 0.579355 Li\n0.166666 0.024001 0.420646 Li\n0.391894 0.507814 0.295473 Li\n0.608106 0.007814 0.204527 Li\n0.833334 0.524001 0.079354 Li\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.880372 0.691394 0.803861 O\n0.119629 0.191394 0.696140 O\n0.880371 0.808606 0.303861 O\n0.119629 0.308606 0.196140 O\n0.613972 0.241359 0.951178 F\n0.386029 0.741359 0.548823 F\n0.613972 0.258641 0.451177 F\n0.386029 0.758641 0.048823 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
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],
"chemical_system": "F-Li-Mn-O",
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"density_atomic": 0.10181898324308727,
"volume": 176.78432279200806,
"volume_molar": 5.914555977859715,
"formula_full": "Li8 Mn2 O4 F4",
"formula_reduced": "Li4Mn(OF)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 1.26246497848659,
"spacegroup": 14
},
{
"id": "jvasp-12303",
"created_at": "2022-09-04T14:38:14.634066Z",
"updated_at": "2022-09-04T14:38:14.634093Z",
"structure_string": "Rb1 Ca2 Nb3 O10\n1.0\n3.956432 -0.000000 0.000000\n-0.000000 3.956432 -0.000000\n-0.000000 0.000000 15.162358\nRb Ca Nb O\n1 2 3 10\ndirect\n0.500000 0.500000 0.500000 Rb\n0.500000 0.500000 0.849829 Ca\n0.500000 0.500000 0.150171 Ca\n0.000000 0.000000 0.000000 Nb\n0.000000 0.000000 0.282734 Nb\n0.000000 0.000000 0.717266 Nb\n0.000000 0.000000 0.598143 O\n0.000000 0.000000 0.401858 O\n0.500000 0.000000 0.746338 O\n0.000000 0.500000 0.746338 O\n0.500000 0.000000 0.253662 O\n0.000000 0.500000 0.253662 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.130420 O\n0.000000 0.000000 0.869580 O\n",
"nsites": 16,
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"elements": [
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],
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"density_atomic": 0.06741333683153636,
"volume": 237.34175983579416,
"volume_molar": 8.933159287232918,
"formula_full": "Rb1 Ca2 Nb3 O10",
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"formula_anonymous": "AB2C3D10",
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"spacegroup": 123
},
{
"id": "jvasp-46956",
"created_at": "2022-09-04T14:38:07.287694Z",
"updated_at": "2022-09-04T14:38:07.287732Z",
"structure_string": "Li3 V3 Cr1 O8\n1.0\n-4.014529 -0.002060 0.002403\n2.004414 6.064385 0.025395\n-0.002894 -1.870128 -6.164327\nLi V Cr O\n3 3 1 8\ndirect\n0.057917 0.120826 0.359861 Li\n0.174407 0.353821 0.005194 Li\n0.936984 0.878979 0.640543 Li\n0.605953 0.216893 0.701261 V\n0.291019 0.587047 0.700750 V\n0.392680 0.790350 0.287186 V\n0.713550 0.432104 0.311014 Cr\n0.651245 0.307510 0.000728 O\n0.561200 0.127391 0.363945 O\n0.118056 0.241108 0.687807 O\n0.767530 0.540064 0.644556 O\n0.228398 0.461803 0.335006 O\n0.881715 0.768423 0.322419 O\n0.439770 0.884539 0.637150 O\n0.342659 0.690309 0.994918 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
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"V",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O-V",
"density": 3.9188063189473574,
"density_atomic": 0.1001004553461072,
"volume": 149.8494681980818,
"volume_molar": 6.0160972686666145,
"formula_full": "Li3 V3 Cr1 O8",
"formula_reduced": "Li3V3CrO8",
"formula_anonymous": "AB3C3D8",
"energy_above_hull": 3.0929605333333337,
"spacegroup": 8
},
{
"id": "jvasp-12293",
"created_at": "2022-09-04T14:38:14.626463Z",
"updated_at": "2022-09-04T14:38:14.626481Z",
"structure_string": "Na2 Ca2 Ta3 O10\n1.0\n3.941722 0.000000 -0.529862\n-0.071227 3.941078 -0.529862\n-0.049402 -0.050302 14.558953\nNa Ca Ta O\n2 2 3 10\ndirect\n0.711667 0.711668 0.423335 Na\n0.288333 0.288333 0.576665 Na\n0.576527 0.576528 0.153055 Ca\n0.423472 0.423473 0.846945 Ca\n0.855847 0.855849 0.711698 Ta\n0.000000 0.000000 0.000000 Ta\n0.144152 0.144152 0.288302 Ta\n0.069076 0.069076 0.138152 O\n0.790621 0.790623 0.581244 O\n0.930923 0.930925 0.861848 O\n0.633716 0.133716 0.267432 O\n0.133716 0.633716 0.267432 O\n0.366283 0.866285 0.732568 O\n0.866284 0.366285 0.732568 O\n0.209378 0.209378 0.418756 O\n0.500000 0.000000 0.000000 O\n-0.000000 0.500000 0.000000 O\n",
"nsites": 17,
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"elements": [
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],
"chemical_system": "Ca-Na-O-Ta",
"density": 6.092030620873816,
"density_atomic": 0.07523525933880847,
"volume": 225.95788396825424,
"volume_molar": 8.004412841697496,
"formula_full": "Na2 Ca2 Ta3 O10",
"formula_reduced": "Na2Ca2Ta3O10",
"formula_anonymous": "A2B2C3D10",
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"spacegroup": 139
},
{
"id": "jvasp-9766",
"created_at": "2022-09-04T14:38:08.998990Z",
"updated_at": "2022-09-04T14:38:08.999008Z",
"structure_string": "Na4 Ti2 Si2 O10\n1.0\n6.520555 -0.000000 0.000000\n0.000000 6.520555 0.000000\n0.000000 -0.000000 5.110434\nNa Ti Si O\n4 2 2 10\ndirect\n0.749999 0.749999 0.500000 Na\n0.250000 0.749999 0.500000 Na\n0.749999 0.250000 0.500000 Na\n0.250000 0.250000 0.500000 Na\n0.500000 0.000000 0.065473 Ti\n0.000000 0.500000 0.934526 Ti\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 Si\n0.292445 0.500000 0.815690 O\n0.000000 0.792445 0.815690 O\n0.500000 0.707554 0.184309 O\n0.500000 0.292445 0.184309 O\n0.500000 0.000000 0.727393 O\n0.792445 0.000000 0.184309 O\n0.000000 0.500000 0.272606 O\n0.000000 0.207554 0.815690 O\n0.207554 0.000000 0.184309 O\n0.707554 0.500000 0.815690 O\n",
"nsites": 18,
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"elements": [
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],
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"density": 3.086391127345897,
"density_atomic": 0.08284105026911844,
"volume": 217.2835803206862,
"volume_molar": 7.269512808488546,
"formula_full": "Na4 Ti2 Si2 O10",
"formula_reduced": "Na2TiSiO5",
"formula_anonymous": "ABC2D5",
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"spacegroup": 129
},
{
"id": "jvasp-108975",
"created_at": "2022-09-04T14:38:08.887783Z",
"updated_at": "2022-09-04T14:38:08.887807Z",
"structure_string": "K2 Rb1 Sb1 F6\n1.0\n5.862173 -0.000000 3.384527\n1.954058 5.526909 3.384527\n-0.000000 -0.000000 6.769054\nK Rb Sb F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Sb\n0.771482 0.228518 0.228518 F\n0.228518 0.228518 0.771482 F\n0.228518 0.771482 0.771482 F\n0.228518 0.771482 0.228518 F\n0.771482 0.228518 0.771483 F\n0.771482 0.771482 0.228518 F\n",
"nsites": 10,
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"elements": [
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],
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"density": 3.0241570981818007,
"density_atomic": 0.04559645475441985,
"volume": 219.31529663565914,
"volume_molar": 13.207475871610937,
"formula_full": "K2 Rb1 Sb1 F6",
"formula_reduced": "K2RbSbF6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-12357",
"created_at": "2022-09-04T14:38:15.312664Z",
"updated_at": "2022-09-04T14:38:15.312699Z",
"structure_string": "In6 Ga2 Pt1 O8\n1.0\n6.208666 -0.000000 3.584575\n2.069555 5.853587 3.584575\n-0.000000 -0.000000 7.169150\nIn Ga Pt O\n6 2 1 8\ndirect\n0.746797 0.746797 0.253204 In\n0.253204 0.253204 0.746797 In\n0.746797 0.253204 0.746797 In\n0.253204 0.746797 0.253204 In\n0.253204 0.746797 0.746797 In\n0.746797 0.253204 0.253204 In\n0.750001 0.750000 0.750000 Ga\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Pt\n0.641263 0.641263 0.076212 O\n0.076212 0.641263 0.641262 O\n0.641263 0.076212 0.641263 O\n0.923789 0.358738 0.358738 O\n0.358738 0.923788 0.358738 O\n0.358738 0.358738 0.923788 O\n0.358738 0.358738 0.358738 O\n0.641263 0.641263 0.641263 O\n",
"nsites": 17,
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"elements": [
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],
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"density_atomic": 0.06524704978658928,
"volume": 260.5481788924369,
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"formula_full": "In6 Ga2 Pt1 O8",
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"formula_anonymous": "AB2C6D8",
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},
{
"id": "jvasp-46809",
"created_at": "2022-09-04T14:38:07.321188Z",
"updated_at": "2022-09-04T14:38:07.321215Z",
"structure_string": "Li2 Mn2 Si4 O12\n1.0\n6.591473 0.048008 -0.014331\n-0.691946 6.555230 0.014331\n-1.420654 1.269255 4.943292\nLi Mn Si O\n2 2 4 12\ndirect\n0.241550 0.241550 0.250000 Li\n0.758449 0.758451 0.750000 Li\n0.104632 0.104633 0.750000 Mn\n0.895367 0.895368 0.250000 Mn\n0.208730 0.610230 0.759066 Si\n0.389771 0.791270 0.259066 Si\n0.610229 0.208731 0.740934 Si\n0.791270 0.389771 0.240934 Si\n0.797793 0.029429 0.863979 O\n0.659759 0.370914 0.468450 O\n0.626242 0.887422 0.345181 O\n0.629087 0.340242 0.968450 O\n0.370913 0.659759 0.031550 O\n0.112578 0.373758 0.845181 O\n0.340241 0.629087 0.531549 O\n0.202206 0.970572 0.136021 O\n0.887421 0.626243 0.154818 O\n0.029428 0.797794 0.636021 O\n0.373757 0.112579 0.654818 O\n0.970572 0.202207 0.363979 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 3.3293397818015933,
"density_atomic": 0.09367010421876265,
"volume": 213.51529569446006,
"volume_molar": 6.429095825425303,
"formula_full": "Li2 Mn2 Si4 O12",
"formula_reduced": "LiMn(SiO3)2",
"formula_anonymous": "ABC2D6",
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"spacegroup": 15
},
{
"id": "jvasp-12553",
"created_at": "2022-09-04T14:38:14.613323Z",
"updated_at": "2022-09-04T14:38:14.613342Z",
"structure_string": "Na2 H2 C2 O4\n1.0\n4.385134 0.001749 -1.400349\n-0.798092 4.311897 -1.400349\n-0.061458 -0.073907 6.076659\nNa H C O\n2 2 2 4\ndirect\n0.863761 0.136239 0.250000 Na\n0.136238 0.863762 0.750000 Na\n0.445514 0.554487 0.250000 H\n0.554486 0.445514 0.750000 H\n0.280368 0.719632 0.250000 C\n0.719631 0.280368 0.750000 C\n0.336706 0.950250 0.187824 O\n0.049751 0.663294 0.312176 O\n0.950248 0.336706 0.687824 O\n0.663293 0.049750 0.812175 O\n",
"nsites": 10,
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"elements": [
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],
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"density": 1.981202911457887,
"density_atomic": 0.0877192501895024,
"volume": 114.0000624537569,
"volume_molar": 6.865244227453149,
"formula_full": "Na2 H2 C2 O4",
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"formula_anonymous": "ABCD2",
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"spacegroup": 15
},
{
"id": "jvasp-25781",
"created_at": "2022-09-04T14:38:14.548804Z",
"updated_at": "2022-09-04T14:38:14.548821Z",
"structure_string": "Ba6 Lu2 Ir4 O18\n1.0\n2.944247 -5.099584 -0.000000\n2.944247 5.099584 -0.000000\n-0.000000 0.000000 14.537173\nBa Lu Ir O\n6 2 4 18\ndirect\n0.333334 0.666667 0.090890 Ba\n0.666667 0.333334 0.590890 Ba\n0.333334 0.666667 0.409110 Ba\n0.000000 0.000000 0.250000 Ba\n0.666667 0.333334 0.909110 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.000000 Lu\n0.000000 0.000000 0.500000 Lu\n0.333334 0.666667 0.837163 Ir\n0.666667 0.333334 0.162837 Ir\n0.666667 0.333334 0.337163 Ir\n0.333334 0.666667 0.662837 Ir\n0.507707 0.492294 0.250000 O\n0.652070 0.826036 0.584825 O\n0.826036 0.652070 0.415175 O\n0.173965 0.347931 0.584825 O\n0.015413 0.507706 0.750000 O\n0.173966 0.826035 0.915175 O\n0.492294 0.507707 0.750000 O\n0.347931 0.173965 0.084825 O\n0.652070 0.826036 0.915175 O\n0.173965 0.347931 0.915175 O\n0.492295 0.984588 0.750000 O\n0.347931 0.173965 0.415175 O\n0.984588 0.492295 0.250000 O\n0.826036 0.652070 0.084825 O\n0.826035 0.173966 0.084825 O\n0.826035 0.173966 0.415175 O\n0.173966 0.826035 0.584825 O\n0.507706 0.015413 0.250000 O\n",
"nsites": 30,
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"elements": [
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],
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"density": 8.485582820519486,
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"formula_full": "Ba6 Lu2 Ir4 O18",
"formula_reduced": "Ba3LuIr2O9",
"formula_anonymous": "AB2C3D9",
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"spacegroup": 194
}
]
}