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=created_at&page=4180",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=4178",
"results": [
{
"id": "jvasp-112108",
"created_at": "2022-09-04T14:38:41.589187Z",
"updated_at": "2022-09-04T14:38:41.589217Z",
"structure_string": "Ti1 H16 C9 O4\n1.0\n4.556527 -0.102920 -1.052477\n-2.181343 6.590066 -0.640428\n-0.214904 0.274289 8.627007\nTi H C O\n1 16 9 4\ndirect\n0.154655 0.655174 0.382808 Ti\n0.966116 0.221776 0.969341 H\n0.044569 0.264187 0.404342 H\n0.728853 0.958629 0.439794 H\n0.486781 0.004233 0.560280 H\n0.397931 0.038052 0.351003 H\n0.797887 0.060202 0.783787 H\n0.930784 0.303204 0.196816 H\n0.334085 0.333441 0.294472 H\n0.398563 0.230873 0.701285 H\n0.989038 0.377810 0.690409 H\n0.035819 0.563027 0.847843 H\n0.642809 0.719587 0.911865 H\n0.932667 0.904244 0.062597 H\n0.486480 0.072954 0.056804 H\n0.295889 0.919032 0.866999 H\n0.535303 0.381734 0.892645 H\n0.526237 0.992497 0.954963 C\n0.677840 0.833765 0.014432 C\n0.858462 0.456817 0.744471 C\n0.609070 0.304266 0.802814 C\n0.567879 0.720187 0.144033 C\n0.751661 0.582932 0.619793 C\n0.118476 0.351973 0.310645 C\n0.490833 0.948934 0.439831 C\n0.741370 0.144209 0.877508 C\n0.961992 0.684527 0.554690 O\n0.758503 0.644672 0.234738 O\n0.302174 0.700870 0.162479 O\n0.477147 0.588126 0.583403 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ti",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Ti",
"density": 1.5251910935858721,
"density_atomic": 0.1167139090795561,
"volume": 257.03877315557133,
"volume_molar": 5.1597455757352,
"formula_full": "Ti1 H16 C9 O4",
"formula_reduced": "TiH16C9O4",
"formula_anonymous": "AB4C9D16",
"energy_above_hull": 4.656605077777778,
"spacegroup": 1
},
{
"id": "jvasp-111686",
"created_at": "2022-09-04T14:38:41.592104Z",
"updated_at": "2022-09-04T14:38:41.592135Z",
"structure_string": "Hf16 Rh8\n1.0\n7.535261 -0.000000 4.350485\n2.511754 7.104313 4.350485\n-0.000000 -0.000000 8.700970\nHf Rh\n16 8\ndirect\n0.125000 0.625000 0.625001 Hf\n0.435678 0.064322 0.064322 Hf\n0.064322 0.435678 0.435679 Hf\n0.064322 0.435678 0.064322 Hf\n0.435678 0.064322 0.435679 Hf\n0.435678 0.435678 0.064322 Hf\n0.814322 0.185678 0.185679 Hf\n0.185678 0.814321 0.814323 Hf\n0.064322 0.064322 0.435678 Hf\n0.814322 0.185678 0.814322 Hf\n0.185678 0.185678 0.814322 Hf\n0.814321 0.814321 0.185679 Hf\n0.625000 0.625000 0.625001 Hf\n0.625000 0.625000 0.125001 Hf\n0.625000 0.125000 0.625001 Hf\n0.185678 0.814321 0.185679 Hf\n0.846841 0.846841 0.459476 Rh\n0.790525 0.403158 0.403159 Rh\n0.403158 0.790525 0.403160 Rh\n0.403158 0.403158 0.790526 Rh\n0.403158 0.403158 0.403159 Rh\n0.459474 0.846841 0.846842 Rh\n0.846841 0.459475 0.846842 Rh\n0.846841 0.846841 0.846843 Rh\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Hf",
"Rh"
],
"chemical_system": "Hf-Rh",
"density": 13.115979916608534,
"density_atomic": 0.05152561493487767,
"volume": 465.7877451891294,
"volume_molar": 11.687664024216462,
"formula_full": "Hf16 Rh8",
"formula_reduced": "Hf2Rh",
"formula_anonymous": "AB2",
"energy_above_hull": 3.893936333333333,
"spacegroup": 227
},
{
"id": "jvasp-111516",
"created_at": "2022-09-04T14:38:41.592279Z",
"updated_at": "2022-09-04T14:38:41.592303Z",
"structure_string": "H8 C4 Br4 Cl4\n1.0\n5.892180 0.075061 2.151171\n4.231771 4.100675 2.151171\n0.348319 0.143668 14.450777\nH C Br Cl\n8 4 4 4\ndirect\n0.209371 0.452654 0.528757 H\n0.547346 0.790630 0.971243 H\n0.790628 0.547347 0.471243 H\n0.452653 0.209372 0.028757 H\n0.021423 0.511007 0.659625 H\n0.488993 0.978578 0.840375 H\n0.978576 0.488994 0.340375 H\n0.511006 0.021424 0.159625 H\n0.340642 0.238196 0.107499 C\n0.761804 0.659359 0.392501 C\n0.659357 0.761805 0.892501 C\n0.238196 0.340643 0.607499 C\n0.606247 0.223904 0.632495 Br\n0.776096 0.393754 0.867505 Br\n0.393752 0.776097 0.367505 Br\n0.223903 0.606248 0.132495 Br\n0.316341 -0.009362 0.628712 Cl\n0.009361 0.683660 0.871288 Cl\n0.683659 0.009362 0.371288 Cl\n-0.009362 0.316342 0.128712 Cl\n",
"nsites": 20,
"nelements": 4,
"elements": [
"H",
"C",
"Br",
"Cl"
],
"chemical_system": "Br-C-Cl-H",
"density": 2.519906950494824,
"density_atomic": 0.058644359520838796,
"volume": 341.03876593439753,
"volume_molar": 10.268917265368174,
"formula_full": "H8 C4 Br4 Cl4",
"formula_reduced": "H2CBrCl",
"formula_anonymous": "ABCD2",
"energy_above_hull": 2.3576376345000005,
"spacegroup": 15
},
{
"id": "jvasp-115061",
"created_at": "2022-09-04T14:38:41.594883Z",
"updated_at": "2022-09-04T14:38:41.594907Z",
"structure_string": "Al1 Cu1 O1\n1.0\n3.962027 0.000000 0.000000\n-1.981014 3.431216 -0.000000\n0.000000 -0.000000 2.874759\nAl Cu O\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.333334 0.666667 0.000000 Cu\n0.666668 0.333333 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Al",
"Cu",
"O"
],
"chemical_system": "Al-Cu-O",
"density": 4.5262820427599335,
"density_atomic": 0.07676342138977159,
"volume": 39.08111370866721,
"volume_molar": 7.8450655937053195,
"formula_full": "Al1 Cu1 O1",
"formula_reduced": "AlCuO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0281955833333334,
"spacegroup": 187
},
{
"id": "jvasp-112520",
"created_at": "2022-09-04T14:38:41.595143Z",
"updated_at": "2022-09-04T14:38:41.595169Z",
"structure_string": "Si5 H8 Cl4\n1.0\n7.116505 -0.022838 -1.661057\n-4.484552 5.525753 -1.661057\n0.010923 0.022838 7.307779\nSi H Cl\n5 8 4\ndirect\n0.250000 0.750000 0.499999 Si\n0.850074 0.613597 0.374220 Si\n0.239377 0.475854 0.625779 Si\n0.386402 0.760622 0.236476 Si\n0.524146 0.149925 0.763523 Si\n0.664844 0.327311 0.685347 H\n0.641964 0.979496 0.314651 H\n0.020503 0.335156 0.662468 H\n0.672688 0.358035 0.337531 H\n0.408555 0.221976 0.870872 H\n0.351103 0.537683 0.129127 H\n0.462316 0.591445 0.813421 H\n0.778023 0.648896 0.186578 H\n0.823764 0.814527 0.607711 Cl\n0.206816 0.216052 0.392288 Cl\n0.185472 0.793184 0.009237 Cl\n0.783947 0.176235 0.990762 Cl\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Si",
"H",
"Cl"
],
"chemical_system": "Cl-H-Si",
"density": 1.6786919412831929,
"density_atomic": 0.05919966861930555,
"volume": 287.16376960353705,
"volume_molar": 10.17259201014535,
"formula_full": "Si5 H8 Cl4",
"formula_reduced": "Si5(H2Cl)4",
"formula_anonymous": "A4B5C8",
"energy_above_hull": 2.679057015882353,
"spacegroup": 82
},
{
"id": "jvasp-114446",
"created_at": "2022-09-04T14:38:41.596141Z",
"updated_at": "2022-09-04T14:38:41.596163Z",
"structure_string": "Ba1 Au1 O2\n1.0\n3.658367 0.000000 0.000000\n-0.000000 3.658367 -0.000000\n0.000000 -0.000000 5.329359\nBa Au O\n1 1 2\ndirect\n0.500000 0.500000 0.524816 Ba\n0.000000 0.000000 0.026292 Au\n0.000000 0.000000 0.441421 O\n0.500000 0.500000 0.017470 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Au",
"O"
],
"chemical_system": "Au-Ba-O",
"density": 8.527612358433224,
"density_atomic": 0.056080318710595316,
"volume": 71.32627081957499,
"volume_molar": 10.738421069034029,
"formula_full": "Ba1 Au1 O2",
"formula_reduced": "BaAuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.955410135,
"spacegroup": 99
},
{
"id": "jvasp-114443",
"created_at": "2022-09-04T14:38:41.603808Z",
"updated_at": "2022-09-04T14:38:41.603844Z",
"structure_string": "Ni1 As1 O4\n1.0\n-2.447399 2.447399 3.787007\n2.447399 -2.447399 3.787007\n2.447399 2.447399 -3.787007\nNi As O\n1 1 4\ndirect\n0.749999 0.250000 0.499999 Ni\n0.000000 0.000000 0.000000 As\n0.891181 0.939767 0.582835 O\n0.356931 0.308345 0.417164 O\n0.060233 0.643068 -0.048588 O\n0.691655 0.108820 0.048586 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ni",
"As",
"O"
],
"chemical_system": "As-Ni-O",
"density": 3.6165799809105144,
"density_atomic": 0.06612803147886658,
"volume": 90.73308044739697,
"volume_molar": 9.106789700710474,
"formula_full": "Ni1 As1 O4",
"formula_reduced": "NiAsO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.260579691666667,
"spacegroup": 82
},
{
"id": "jvasp-114534",
"created_at": "2022-09-04T14:38:41.604006Z",
"updated_at": "2022-09-04T14:38:41.604032Z",
"structure_string": "Ba1 Bi1 F2\n1.0\n3.687322 0.000000 0.000000\n0.000000 3.687322 0.000000\n0.000000 0.000000 7.139328\nBa Bi F\n1 1 2\ndirect\n0.499999 0.499999 0.485687 Ba\n0.000000 0.000000 0.935077 Bi\n0.000000 0.000000 0.442715 F\n0.499999 0.499999 0.146521 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"F"
],
"chemical_system": "Ba-Bi-F",
"density": 6.5742281450846605,
"density_atomic": 0.04120790418882629,
"volume": 97.06875607337047,
"volume_molar": 14.614042811798546,
"formula_full": "Ba1 Bi1 F2",
"formula_reduced": "BaBiF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 99
},
{
"id": "jvasp-111709",
"created_at": "2022-09-04T14:38:41.604521Z",
"updated_at": "2022-09-04T14:38:41.604547Z",
"structure_string": "Sr6 Mn6 O18\n1.0\n5.462476 0.000000 -0.000000\n-2.731238 4.730642 -0.000000\n0.000000 -0.000000 13.483434\nSr Mn O\n6 6 18\ndirect\n0.000000 0.000000 0.250000 Sr\n0.000000 0.000000 0.750000 Sr\n0.333333 0.666667 0.409800 Sr\n0.666667 0.333333 0.590200 Sr\n0.666667 0.333333 0.909800 Sr\n0.333333 0.666667 0.090200 Sr\n0.333333 0.666667 0.843942 Mn\n0.666667 0.333333 0.156058 Mn\n0.666667 0.333333 0.343942 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.333333 0.666667 0.656058 Mn\n0.164324 0.835676 0.581879 O\n0.835677 0.164324 0.081879 O\n0.671353 0.835676 0.918121 O\n0.164324 0.328647 0.918121 O\n0.164324 0.835676 0.918121 O\n0.671353 0.835676 0.581879 O\n0.164324 0.328647 0.581879 O\n0.328647 0.164324 0.418121 O\n0.972457 0.486228 0.250000 O\n0.835677 0.164324 0.418121 O\n0.027543 0.513772 0.750000 O\n0.486228 0.972456 0.750000 O\n0.486228 0.513772 0.750000 O\n0.835676 0.671353 0.081879 O\n0.513773 0.027543 0.250000 O\n0.513772 0.486228 0.250000 O\n0.835676 0.671353 0.418121 O\n0.328647 0.164324 0.081879 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"O"
],
"chemical_system": "Mn-O-Sr",
"density": 5.448957183083405,
"density_atomic": 0.08610157899333425,
"volume": 348.42566594885,
"volume_molar": 6.9942280158023795,
"formula_full": "Sr6 Mn6 O18",
"formula_reduced": "SrMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.822136810275862,
"spacegroup": 194
},
{
"id": "jvasp-112004",
"created_at": "2022-09-04T14:38:41.607554Z",
"updated_at": "2022-09-04T14:38:41.607584Z",
"structure_string": "H10 C12 S2 N2 O2\n1.0\n3.900341 0.009693 -0.805156\n-1.060863 7.612435 -2.720235\n-0.146508 -0.031679 9.559693\nH C S N O\n10 12 2 2 2\ndirect\n0.579257 0.809193 0.910429 H\n0.079253 0.309193 0.410428 H\n0.269919 0.304896 0.857548 H\n0.769919 0.804898 0.357548 H\n0.323646 0.089384 0.012901 H\n0.823649 0.589385 0.512901 H\n0.354692 0.624553 0.748944 H\n0.854690 0.124552 0.248943 H\n0.797441 0.466843 0.783217 H\n0.297443 0.966844 0.283218 H\n0.509054 0.140430 0.504031 C\n0.009059 0.640430 0.004031 C\n0.107601 0.208071 0.305427 C\n0.607604 0.708071 0.805427 C\n0.635920 -0.003517 0.551354 C\n0.135923 0.496483 0.051354 C\n0.730887 0.837908 0.472535 C\n0.189491 0.293844 0.197518 C\n0.230887 0.337907 0.972534 C\n0.763337 0.722845 0.556574 C\n0.263336 0.222844 0.056574 C\n0.689492 0.793844 0.697519 C\n0.096424 0.504498 0.229633 S\n0.596422 0.004497 0.729632 S\n0.848123 0.596842 0.853139 N\n0.348120 0.096842 0.353140 N\n0.025191 0.791571 0.100679 O\n0.525181 0.291570 0.600679 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.6351107145697654,
"density_atomic": 0.0990523703151906,
"volume": 282.6787477261,
"volume_molar": 6.079754316668231,
"formula_full": "H10 C12 S2 N2 O2",
"formula_reduced": "H5C6SNO",
"formula_anonymous": "ABCD5E6",
"energy_above_hull": 5.158084053571429,
"spacegroup": 1
},
{
"id": "jvasp-112649",
"created_at": "2022-09-04T14:38:41.608260Z",
"updated_at": "2022-09-04T14:38:41.608286Z",
"structure_string": "Re4 Mo2 Se8\n1.0\n6.712725 -0.011420 -0.433256\n-0.454499 6.697412 -0.397443\n-0.008808 0.000710 6.731486\nRe Mo Se\n4 2 8\ndirect\n0.546300 0.413580 0.237839 Re\n0.763746 0.455199 0.587586 Re\n0.584634 0.764333 0.452628 Re\n0.452771 0.586905 0.763947 Re\n0.234667 0.543294 0.412513 Mo\n0.412707 0.235601 0.547785 Mo\n0.369703 0.732913 0.122387 Se\n0.123354 0.369222 0.738139 Se\n0.739598 0.126555 0.369096 Se\n0.630628 0.269152 0.878421 Se\n0.872064 0.631415 0.266754 Se\n0.267874 0.873370 0.628011 Se\n0.214029 0.208040 0.207416 Se\n0.787925 0.790419 0.787483 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Re",
"Mo",
"Se"
],
"chemical_system": "Mo-Re-Se",
"density": 8.607355738529098,
"density_atomic": 0.04626953979845583,
"volume": 302.5748702274153,
"volume_molar": 13.015346135344489,
"formula_full": "Re4 Mo2 Se8",
"formula_reduced": "Re2MoSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 4.079112195238095,
"spacegroup": 1
},
{
"id": "jvasp-114539",
"created_at": "2022-09-04T14:38:41.609850Z",
"updated_at": "2022-09-04T14:38:41.609872Z",
"structure_string": "Ba1 Br1 N1\n1.0\n4.569725 0.000000 -0.000000\n0.000000 4.569725 0.000000\n-0.000000 -0.000000 7.206624\nBa Br N\n1 1 1\ndirect\n0.000000 0.000000 0.304843 Ba\n0.000000 0.000000 0.735197 Br\n0.000000 0.000000 -0.010316 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Br",
"N"
],
"chemical_system": "Ba-Br-N",
"density": 2.5515010044534843,
"density_atomic": 0.019934679600355294,
"volume": 150.49150827317692,
"volume_molar": 30.209368200192532,
"formula_full": "Ba1 Br1 N1",
"formula_reduced": "BaBrN",
"formula_anonymous": "ABC",
"energy_above_hull": 1.6421444416666662,
"spacegroup": 99
}
]
}