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=354",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=352",
"results": [
{
"id": "jvasp-57165",
"created_at": "2022-09-04T14:37:32.080838Z",
"updated_at": "2022-09-04T14:37:32.080851Z",
"structure_string": "Ba1 Ca1 Ga4 O8\n1.0\n4.811057 0.000000 2.007934\n2.141069 6.169911 1.637618\n0.014464 0.009740 6.733014\nBa Ca Ga O\n1 1 4 8\ndirect\n0.986331 0.000000 -0.000001 Ba\n0.068882 0.500000 0.500000 Ca\n0.373078 0.458263 0.876652 Ga\n0.707995 0.123348 0.541736 Ga\n0.707995 0.541737 0.123347 Ga\n0.373078 0.876652 0.458263 Ga\n0.734864 0.867843 0.460427 O\n0.063135 0.132156 0.539572 O\n0.426597 0.189376 0.810623 O\n0.426598 0.810623 0.189376 O\n0.063135 0.539572 0.132157 O\n0.734864 0.460427 0.867843 O\n0.581465 0.325510 0.325510 O\n0.232486 0.674489 0.674489 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Ca",
"Ga",
"O"
],
"chemical_system": "Ba-Ca-Ga-O",
"density": 4.859769323655477,
"density_atomic": 0.070123648601874,
"volume": 199.64734121986146,
"volume_molar": 8.587888508469685,
"formula_full": "Ba1 Ca1 Ga4 O8",
"formula_reduced": "BaCa(GaO2)4",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 1.3153574064285714,
"spacegroup": 44
},
{
"id": "jvasp-13862",
"created_at": "2022-09-04T14:37:28.284915Z",
"updated_at": "2022-09-04T14:37:28.284940Z",
"structure_string": "Ba4 B4 O4 F12\n1.0\n5.129517 0.000000 0.000000\n-0.000000 6.863060 0.000000\n0.000000 0.000000 9.249666\nBa B O F\n4 4 4 12\ndirect\n0.250000 0.327916 0.691186 Ba\n0.750000 0.672084 0.308815 Ba\n0.750000 0.827916 0.808815 Ba\n0.250000 0.172084 0.191185 Ba\n0.250000 0.824723 0.578255 B\n0.750000 0.175277 0.421745 B\n0.750000 0.324723 0.921745 B\n0.250000 0.675277 0.078255 B\n0.250000 0.936313 0.697785 O\n0.250000 0.563687 0.197784 O\n0.750000 0.436313 0.802216 O\n0.750000 0.063687 0.302216 O\n0.975293 0.316278 0.429961 F\n0.250000 0.585675 0.935561 F\n0.750000 0.414325 0.064440 F\n0.750000 0.085675 0.564440 F\n0.250000 0.914325 0.435561 F\n0.524708 0.316278 0.429961 F\n0.975293 0.183722 0.929962 F\n0.475293 0.816278 0.070039 F\n0.024708 0.683722 0.570039 F\n0.024708 0.816278 0.070039 F\n0.524708 0.183722 0.929962 F\n0.475293 0.683722 0.570039 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ba",
"B",
"O",
"F"
],
"chemical_system": "B-Ba-F-O",
"density": 4.510675239429756,
"density_atomic": 0.0737039768300549,
"volume": 325.6269340165823,
"volume_molar": 8.170713466229547,
"formula_full": "Ba4 B4 O4 F12",
"formula_reduced": "BaBOF3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 0.5879588168055555,
"spacegroup": 62
},
{
"id": "jvasp-102410",
"created_at": "2022-09-04T14:37:13.432271Z",
"updated_at": "2022-09-04T14:37:13.432292Z",
"structure_string": "Na2 Li1 Er1 Cl6\n1.0\n6.179428 -0.000000 3.567694\n2.059809 5.826020 3.567694\n-0.000000 -0.000000 7.135389\nNa Li Er Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Er\n0.744777 0.255224 0.255223 Cl\n0.255224 0.255224 0.744776 Cl\n0.255224 0.744776 0.744776 Cl\n0.255224 0.744776 0.255223 Cl\n0.744777 0.255224 0.744776 Cl\n0.744777 0.744776 0.255223 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Li",
"Er",
"Cl"
],
"chemical_system": "Cl-Er-Li-Na",
"density": 2.7983131401332204,
"density_atomic": 0.038928000566415356,
"volume": 256.8845009889199,
"volume_molar": 15.469946240176348,
"formula_full": "Na2 Li1 Er1 Cl6",
"formula_reduced": "Na2LiErCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-33072",
"created_at": "2022-09-04T14:37:08.279066Z",
"updated_at": "2022-09-04T14:37:08.279095Z",
"structure_string": "Sn1 H4 N2 F2\n1.0\n5.175388 1.649511 -1.474281\n-5.175388 1.649511 1.474281\n-0.027183 0.000000 5.035699\nSn H N F\n1 4 2 2\ndirect\n0.000000 0.000000 0.000000 Sn\n0.389044 0.610955 0.561991 H\n0.610956 0.389044 0.438009 H\n0.294823 0.705176 0.776497 H\n0.705176 0.294823 0.223503 H\n0.389850 0.610149 0.767083 N\n0.610149 0.389850 0.232917 N\n0.121249 0.878750 0.749567 F\n0.878751 0.121249 0.250434 F\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Sn",
"H",
"N",
"F"
],
"chemical_system": "F-H-N-Sn",
"density": 3.651077290817685,
"density_atomic": 0.10483902031914252,
"volume": 85.84589948096541,
"volume_molar": 5.74417878159094,
"formula_full": "Sn1 H4 N2 F2",
"formula_reduced": "SnH4(NF)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 2.613196529444444,
"spacegroup": 12
},
{
"id": "jvasp-57028",
"created_at": "2022-09-04T14:37:07.783107Z",
"updated_at": "2022-09-04T14:37:07.783134Z",
"structure_string": "Sr2 Lu2 Cu2 Se6\n1.0\n4.048643 0.000000 0.000000\n-2.024321 6.745275 -0.000000\n0.000000 0.000000 10.394591\nSr Lu Cu Se\n2 2 2 6\ndirect\n0.248131 0.496263 0.250000 Sr\n0.751869 0.503738 0.750000 Sr\n0.000000 0.000000 0.000000 Lu\n0.000000 0.000000 0.500000 Lu\n0.470448 0.940897 0.750000 Cu\n0.529552 0.059104 0.250000 Cu\n0.638342 0.276685 0.439661 Se\n0.078371 0.156742 0.750000 Se\n0.361658 0.723316 0.939661 Se\n0.638342 0.276685 0.060339 Se\n0.921629 0.843258 0.250000 Se\n0.361658 0.723316 0.560339 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Sr",
"Lu",
"Cu",
"Se"
],
"chemical_system": "Cu-Lu-Se-Sr",
"density": 6.586898430676087,
"density_atomic": 0.042273158383620967,
"volume": 283.8680727638625,
"volume_molar": 14.245779095449183,
"formula_full": "Sr2 Lu2 Cu2 Se6",
"formula_reduced": "SrLuCuSe3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 0.5674471016666665,
"spacegroup": 63
},
{
"id": "jvasp-60029",
"created_at": "2022-09-04T14:37:33.729842Z",
"updated_at": "2022-09-04T14:37:33.729861Z",
"structure_string": "Ca2 V6 P8 O28\n1.0\n0.000000 7.478854 -0.007388\n7.737086 0.000000 0.000000\n0.000000 -3.517404 -8.837671\nCa V P O\n2 6 8 28\ndirect\n0.500000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.811576 0.127791 0.473812 V\n0.188424 0.627791 0.026188 V\n0.188424 0.872210 0.526188 V\n0.811576 0.372209 0.973812 V\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.500000 V\n0.125444 0.294816 0.810652 P\n0.874556 0.705185 0.189348 P\n0.125444 0.205184 0.310653 P\n0.874556 0.794816 0.689348 P\n0.596448 0.066583 0.705962 P\n0.596447 0.433418 0.205962 P\n0.403553 0.933418 0.294038 P\n0.403553 0.566583 0.794038 P\n0.326212 0.380108 0.822117 O\n0.603762 0.525640 0.796783 O\n0.396238 0.025640 0.703217 O\n0.396238 0.474361 0.203217 O\n0.603762 0.974361 0.296783 O\n0.010580 0.283509 0.640493 O\n0.010579 0.216491 0.140493 O\n0.989421 0.716491 0.359508 O\n0.034604 0.420790 0.889527 O\n0.965396 0.920790 0.610474 O\n0.673788 0.880108 0.677883 O\n0.989421 0.783509 0.859508 O\n0.673788 0.619893 0.177883 O\n0.273822 0.881145 0.129319 O\n0.385179 0.692826 0.910722 O\n0.614821 0.192825 0.589278 O\n0.614821 0.307175 0.089278 O\n0.385179 0.807175 0.410722 O\n0.726178 0.118856 0.870681 O\n0.273822 0.618856 0.629319 O\n0.965396 0.579210 0.110474 O\n0.726178 0.381145 0.370681 O\n0.178775 0.124050 0.896004 O\n0.821225 0.624051 0.603996 O\n0.821225 0.875950 0.103996 O\n0.178775 0.375950 0.396004 O\n0.326212 0.119892 0.322117 O\n0.034604 0.079210 0.389527 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Ca",
"V",
"P",
"O"
],
"chemical_system": "Ca-O-P-V",
"density": 3.5106378866977352,
"density_atomic": 0.08600657448927816,
"volume": 511.58879726671563,
"volume_molar": 7.001953973589238,
"formula_full": "Ca2 V6 P8 O28",
"formula_reduced": "CaV3(P2O7)2",
"formula_anonymous": "AB3C4D14",
"energy_above_hull": 3.2588651827272725,
"spacegroup": 14
},
{
"id": "jvasp-35163",
"created_at": "2022-09-04T14:37:28.277936Z",
"updated_at": "2022-09-04T14:37:28.277946Z",
"structure_string": "Li14 P2 N6 O3\n1.0\n2.822296 -4.888360 -0.000000\n2.822296 4.888360 0.000000\n-0.000000 0.000000 7.973322\nLi P N O\n14 2 6 3\ndirect\n0.377681 0.082186 0.091063 Li\n0.000000 0.000000 0.750585 Li\n0.353797 0.305690 0.410751 Li\n0.694311 0.048108 0.410751 Li\n0.951894 0.646205 0.410751 Li\n0.646205 0.694312 0.589249 Li\n0.305690 0.951894 0.589249 Li\n0.000000 0.000000 0.249415 Li\n0.082186 0.704505 0.908937 Li\n0.295496 0.377681 0.908937 Li\n0.622320 0.917816 0.908937 Li\n0.917815 0.295496 0.091063 Li\n0.704506 0.622320 0.091063 Li\n0.048107 0.353797 0.589249 Li\n0.666668 0.333334 0.772838 P\n0.333334 0.666668 0.227162 P\n0.068824 0.693599 0.174647 N\n0.306402 0.375225 0.174647 N\n0.624776 0.931178 0.174647 N\n0.375225 0.068824 0.825353 N\n0.693600 0.624776 0.825353 N\n0.931177 0.306402 0.825353 N\n0.333334 0.666668 0.449374 O\n0.666668 0.333334 0.550625 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"Li",
"P",
"N",
"O"
],
"chemical_system": "Li-N-O-P",
"density": 2.197584857346198,
"density_atomic": 0.1136331295679687,
"volume": 220.00626133460895,
"volume_molar": 5.299634695353443,
"formula_full": "Li14 P2 N6 O3",
"formula_reduced": "Li14P2(N2O)3",
"formula_anonymous": "A2B3C6D14",
"energy_above_hull": 2.69980124,
"spacegroup": 147
},
{
"id": "jvasp-11769",
"created_at": "2022-09-04T14:37:14.032420Z",
"updated_at": "2022-09-04T14:37:14.032445Z",
"structure_string": "Mn2 Te2 Mo2 O12\n1.0\n5.117999 0.000000 0.000000\n0.000000 5.339076 0.000000\n0.000000 0.000000 8.954258\nMn Te Mo O\n2 2 2 12\ndirect\n0.000000 0.000000 0.473724 Mn\n0.500000 0.500000 0.526276 Mn\n0.000000 0.500000 0.246362 Te\n0.500000 0.000000 0.753638 Te\n0.500000 0.000000 0.186784 Mo\n0.000000 0.500000 0.813217 Mo\n0.843166 0.290603 0.929339 O\n0.343165 0.209398 0.070662 O\n0.656835 0.790603 0.070662 O\n0.156835 0.709398 0.929339 O\n0.256738 0.321614 0.708974 O\n0.781978 0.672852 0.388325 O\n0.281978 0.827150 0.611676 O\n0.243262 0.821615 0.291027 O\n0.218022 0.327149 0.388325 O\n0.718022 0.172851 0.611676 O\n0.756738 0.178386 0.291027 O\n0.743262 0.678387 0.708974 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Mn",
"Te",
"Mo",
"O"
],
"chemical_system": "Mn-Mo-O-Te",
"density": 5.082827555335476,
"density_atomic": 0.07356590836753474,
"volume": 244.67855287087778,
"volume_molar": 8.186048257452933,
"formula_full": "Mn2 Te2 Mo2 O12",
"formula_reduced": "MnTeMoO6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 3.1776935453384416,
"spacegroup": 18
},
{
"id": "jvasp-42693",
"created_at": "2022-09-04T14:37:07.827817Z",
"updated_at": "2022-09-04T14:37:07.827832Z",
"structure_string": "Li1 Ti1 V2 O6\n1.0\n-2.954347 0.001407 -0.002180\n-0.003202 -5.817491 0.060211\n1.473629 1.357501 6.046045\nLi Ti V O\n1 1 2 6\ndirect\n0.670368 0.836149 0.340163 Li\n0.351511 0.632131 0.703070 Ti\n0.989775 0.036475 0.979626 V\n0.659764 0.334137 0.319613 V\n0.499917 0.796537 -0.000151 O\n0.827479 0.415887 0.654997 O\n0.152271 0.097373 0.304567 O\n0.838481 0.869280 0.677047 O\n0.179312 0.568405 0.358723 O\n0.497190 0.251601 -0.005525 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Ti",
"V",
"O"
],
"chemical_system": "Li-O-Ti-V",
"density": 4.029334100414691,
"density_atomic": 0.09602859948755174,
"volume": 104.13564347875663,
"volume_molar": 6.271195031622486,
"formula_full": "Li1 Ti1 V2 O6",
"formula_reduced": "LiTiV2O6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 3.0530577733333333,
"spacegroup": 8
},
{
"id": "jvasp-9191",
"created_at": "2022-09-04T14:37:08.299888Z",
"updated_at": "2022-09-04T14:37:08.299918Z",
"structure_string": "Ba2 Mn3 Al1 O8\n1.0\n3.850171 -0.000000 -0.000000\n0.000000 3.850171 0.000000\n-0.000000 -0.000000 11.539298\nBa Mn Al O\n2 3 1 8\ndirect\n0.500000 0.500000 0.171374 Ba\n0.500000 0.500000 0.828606 Ba\n0.000000 0.000000 0.353741 Mn\n0.000000 0.000000 -0.000015 Mn\n0.000000 0.000000 0.646264 Mn\n0.500000 0.500000 0.499994 Al\n0.000000 0.500000 0.392869 O\n0.500000 0.000000 0.392869 O\n0.500000 0.000000 -0.000006 O\n0.000000 0.000000 0.183316 O\n0.000000 0.500000 0.607156 O\n0.500000 0.000000 0.607156 O\n0.000000 0.000000 0.816686 O\n0.000000 0.500000 -0.000006 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Mn",
"Al",
"O"
],
"chemical_system": "Al-Ba-Mn-O",
"density": 5.7706038009816005,
"density_atomic": 0.08184433221832092,
"volume": 171.05643873609722,
"volume_molar": 7.358042514093529,
"formula_full": "Ba2 Mn3 Al1 O8",
"formula_reduced": "Ba2Mn3AlO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.771289604581281,
"spacegroup": 123
},
{
"id": "jvasp-9364",
"created_at": "2022-09-04T14:37:28.218171Z",
"updated_at": "2022-09-04T14:37:28.218192Z",
"structure_string": "Ba1 Mg1 Fe4 O8\n1.0\n2.684903 -4.650388 0.000000\n2.684903 4.650388 0.000000\n-0.000000 0.000000 7.264838\nBa Mg Fe O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Mg\n0.333332 0.666667 0.740733 Fe\n0.666667 0.333332 0.740733 Fe\n0.333332 0.666667 0.259267 Fe\n0.666667 0.333332 0.259267 Fe\n0.313865 0.313865 0.676108 O\n0.686135 -0.000000 0.676108 O\n-0.000000 0.686135 0.676108 O\n0.686134 0.686134 0.323892 O\n-0.000000 0.313865 0.323892 O\n0.313865 -0.000000 0.323892 O\n0.333332 0.666667 0.000000 O\n0.666667 0.333332 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Mg",
"Fe",
"O"
],
"chemical_system": "Ba-Fe-Mg-O",
"density": 4.695683734597341,
"density_atomic": 0.07717103345439197,
"volume": 181.41521984766462,
"volume_molar": 7.80362849949273,
"formula_full": "Ba1 Mg1 Fe4 O8",
"formula_reduced": "BaMg(FeO2)4",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 2.6908810728571426,
"spacegroup": 162
},
{
"id": "jvasp-29064",
"created_at": "2022-09-04T14:37:32.667141Z",
"updated_at": "2022-09-04T14:37:32.667165Z",
"structure_string": "Te4 Mo3 W1 Se4\n1.0\n3.445982 -0.000000 0.000073\n-1.722991 2.984304 -0.000312\n0.000754 -0.003349 36.166438\nTe Mo W Se\n4 3 1 4\ndirect\n0.333358 0.666766 0.332605 Te\n0.333350 0.666720 0.711327 Te\n0.333272 0.666495 0.229314 Te\n0.333272 0.666460 0.608598 Te\n0.333365 0.666746 0.091475 Mo\n0.333337 0.666691 0.470474 Mo\n0.666644 0.333257 0.660003 Mo\n0.666643 0.333285 0.280959 W\n0.666664 0.333304 0.046329 Se\n0.666643 0.333264 0.425255 Se\n0.666738 0.333536 0.136706 Se\n0.666706 0.333469 0.515701 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 5.7946676273136255,
"density_atomic": 0.03226409195268414,
"volume": 371.93050458690146,
"volume_molar": 18.66514876300122,
"formula_full": "Te4 Mo3 W1 Se4",
"formula_reduced": "Te4Mo3WSe4",
"formula_anonymous": "AB3C4D4",
"energy_above_hull": 3.539766852777778,
"spacegroup": 156
}
]
}