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=588",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=586",
"results": [
{
"id": "jvasp-104889",
"created_at": "2022-09-04T14:36:58.927024Z",
"updated_at": "2022-09-04T14:36:58.927037Z",
"structure_string": "La2 Ni1 Mo1 O6\n1.0\n4.852346 -0.000000 2.801503\n1.617449 4.574836 2.801503\n-0.000000 -0.000000 5.603006\nLa Ni Mo O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 La\n0.750001 0.750001 0.749999 La\n0.500000 0.500000 0.499999 Ni\n0.000000 0.000000 0.000000 Mo\n0.752291 0.247710 0.247709 O\n0.247710 0.752291 0.752290 O\n0.247710 0.752291 0.247709 O\n0.752291 0.247710 0.752290 O\n0.247710 0.247710 0.752291 O\n0.752291 0.752291 0.247708 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"La",
"Ni",
"Mo",
"O"
],
"chemical_system": "La-Mo-Ni-O",
"density": 7.05499988538131,
"density_atomic": 0.0803991804004976,
"volume": 124.37937737905236,
"volume_molar": 7.490301182178133,
"formula_full": "La2 Ni1 Mo1 O6",
"formula_reduced": "La2NiMoO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.77533793,
"spacegroup": 225
},
{
"id": "jvasp-57296",
"created_at": "2022-09-04T14:36:59.711647Z",
"updated_at": "2022-09-04T14:36:59.711665Z",
"structure_string": "Sr1 Fe2 Se4 O12\n1.0\n0.000000 7.031624 -0.005857\n5.358880 0.000000 0.000000\n0.000000 -0.222410 -7.061623\nSr Fe Se O\n1 2 4 12\ndirect\n0.500000 0.500000 0.500000 Sr\n-0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.089563 0.500000 0.728554 Se\n0.707324 0.000000 0.910087 Se\n0.292676 0.000000 0.089913 Se\n0.910437 0.500000 0.271446 Se\n0.187617 0.263599 0.592676 O\n0.105899 0.000000 0.236649 O\n0.187617 0.736401 0.592676 O\n0.812382 0.263599 0.407324 O\n0.231226 0.500000 0.933239 O\n0.812382 0.736401 0.407324 O\n0.436793 0.247577 0.183541 O\n0.563207 0.752423 0.816459 O\n0.768773 0.500000 0.066761 O\n0.436793 0.752423 0.183541 O\n0.894100 0.000000 0.763351 O\n0.563207 0.247577 0.816459 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Sr",
"Fe",
"Se",
"O"
],
"chemical_system": "Fe-O-Se-Sr",
"density": 4.412763253905558,
"density_atomic": 0.07140161051352138,
"volume": 266.1004403591422,
"volume_molar": 8.434180569161786,
"formula_full": "Sr1 Fe2 Se4 O12",
"formula_reduced": "SrFe2(SeO3)4",
"formula_anonymous": "AB2C4D12",
"energy_above_hull": 2.6406769882456134,
"spacegroup": 10
},
{
"id": "jvasp-99563",
"created_at": "2022-09-04T14:36:40.046185Z",
"updated_at": "2022-09-04T14:36:40.046214Z",
"structure_string": "Nd2 Mn2 As2 O2\n1.0\n3.960664 -0.000000 0.000000\n0.000000 3.960664 0.000000\n-0.000000 -0.000000 8.728403\nNd Mn As O\n2 2 2 2\ndirect\n0.750000 0.750000 0.859784 Nd\n0.249999 0.249999 0.140215 Nd\n0.249999 0.750000 0.500000 Mn\n0.750000 0.249999 0.500000 Mn\n0.750000 0.750000 0.341793 As\n0.249999 0.249999 0.658207 As\n0.249999 0.750000 -0.000000 O\n0.750000 0.249999 -0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Nd",
"Mn",
"As",
"O"
],
"chemical_system": "As-Mn-Nd-O",
"density": 7.0365146242838295,
"density_atomic": 0.058427754428639976,
"volume": 136.9212299570866,
"volume_molar": 10.306986497923806,
"formula_full": "Nd2 Mn2 As2 O2",
"formula_reduced": "NdMnAsO",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.188750997844828,
"spacegroup": 129
},
{
"id": "jvasp-101914",
"created_at": "2022-09-04T14:36:47.430153Z",
"updated_at": "2022-09-04T14:36:47.430171Z",
"structure_string": "Zn1 H10 C7 O4\n1.0\n4.457697 -0.016288 -0.430454\n-2.184252 4.351939 -0.360312\n-0.026727 0.590933 9.607275\nZn H C O\n1 10 7 4\ndirect\n0.902239 0.355219 0.820640 Zn\n0.968588 0.196297 0.478286 H\n0.386911 0.627440 0.191512 H\n0.089846 0.671172 0.285015 H\n0.471445 0.224628 0.341933 H\n0.761035 0.200373 0.236044 H\n0.122170 0.093326 0.109213 H\n0.891153 0.697886 0.051239 H\n0.431854 0.999980 0.586388 H\n0.310456 0.625517 0.507633 H\n0.844635 0.830438 0.395307 H\n0.732778 0.780317 0.664311 C\n0.525231 0.842626 0.547280 C\n0.748539 0.988873 0.431399 C\n0.573545 0.070050 0.305746 C\n0.292733 0.792997 0.220662 C\n0.142589 0.880550 0.086959 C\n0.366913 0.928739 0.973041 C\n0.602345 0.197977 0.968080 O\n0.948454 0.999194 0.748007 O\n0.699339 0.507161 0.668097 O\n0.331575 0.701883 0.893398 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.9800048327460489,
"density_atomic": 0.11733943273298107,
"volume": 187.4902535967039,
"volume_molar": 5.1322395376702135,
"formula_full": "Zn1 H10 C7 O4",
"formula_reduced": "ZnH10C7O4",
"formula_anonymous": "AB4C7D10",
"energy_above_hull": 4.3669374727272725,
"spacegroup": 1
},
{
"id": "jvasp-44376",
"created_at": "2022-09-04T14:36:37.103583Z",
"updated_at": "2022-09-04T14:36:37.103619Z",
"structure_string": "Li4 Fe6 Sb2 O16\n1.0\n5.706186 0.000146 0.000046\n-2.852962 4.941515 -0.000173\n-0.000116 0.000088 9.588293\nLi Fe Sb O\n4 6 2 16\ndirect\n0.333340 0.666682 0.899225 Li\n-0.000033 0.000040 0.992253 Li\n0.000018 -0.000010 0.492251 Li\n0.666662 0.333348 0.399223 Li\n0.826191 0.652329 0.715647 Fe\n0.347693 0.173835 0.715645 Fe\n0.826194 0.173835 0.715651 Fe\n0.173809 0.347686 0.215647 Fe\n0.173813 0.826188 0.215645 Fe\n0.652310 0.826189 0.215648 Fe\n0.333345 0.666672 0.493663 Sb\n0.666655 0.333356 0.993662 Sb\n0.316705 0.158387 0.100387 O\n0.841613 0.683303 0.100390 O\n0.666682 0.333326 0.605073 O\n0.515387 0.030710 0.836775 O\n0.515368 0.484667 0.836760 O\n0.683299 0.841637 0.600391 O\n0.484636 0.515364 0.336764 O\n0.030689 0.515377 0.336773 O\n0.158377 0.316720 0.600396 O\n0.000039 0.000001 0.805265 O\n-0.000018 0.000020 0.305262 O\n0.333308 0.666682 0.105073 O\n0.969308 0.484640 0.836784 O\n0.158385 0.841626 0.600411 O\n0.484623 0.969312 0.336774 O\n0.841605 0.158386 0.100411 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Sb",
"O"
],
"chemical_system": "Fe-Li-O-Sb",
"density": 5.2963428496266785,
"density_atomic": 0.10356291762449248,
"volume": 270.3670449062169,
"volume_molar": 5.814958576037426,
"formula_full": "Li4 Fe6 Sb2 O16",
"formula_reduced": "Li2Fe3SbO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.757428614285714,
"spacegroup": 186
},
{
"id": "jvasp-105362",
"created_at": "2022-09-04T14:36:47.437325Z",
"updated_at": "2022-09-04T14:36:47.437346Z",
"structure_string": "Tl1 In2 Ga1 Se4\n1.0\n6.427583 -0.037422 -1.694442\n-2.571182 5.170259 -3.292993\n-0.022323 0.037422 6.647139\nTl In Ga Se\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 -0.000000 0.500000 In\n0.000000 0.500000 0.500000 In\n0.500000 0.500000 0.000000 Ga\n0.501322 0.101429 0.938686 Se\n0.498678 0.437364 0.600108 Se\n0.162743 0.562636 0.061315 Se\n0.837257 0.898571 0.399894 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Tl",
"In",
"Ga",
"Se"
],
"chemical_system": "Ga-In-Se-Tl",
"density": 6.157671665230166,
"density_atomic": 0.036196355665264635,
"volume": 221.0167253847905,
"volume_molar": 16.63742288226842,
"formula_full": "Tl1 In2 Ga1 Se4",
"formula_reduced": "TlIn2GaSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.4423447914583333,
"spacegroup": 23
},
{
"id": "jvasp-106907",
"created_at": "2022-09-04T14:36:47.482256Z",
"updated_at": "2022-09-04T14:36:47.482265Z",
"structure_string": "K2 Al1 In1 Cl6\n1.0\n6.450442 -0.000000 3.724164\n2.150147 6.081535 3.724164\n-0.000000 -0.000000 7.448329\nK Al In Cl\n2 1 1 6\ndirect\n0.750000 0.749999 0.749999 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 In\n0.778346 0.221654 0.221654 Cl\n0.221655 0.221654 0.778346 Cl\n0.221655 0.778345 0.778345 Cl\n0.221655 0.778345 0.221654 Cl\n0.778346 0.221654 0.778345 Cl\n0.778346 0.778345 0.221654 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Al",
"In",
"Cl"
],
"chemical_system": "Al-Cl-In-K",
"density": 2.45917053407989,
"density_atomic": 0.03422460648525551,
"volume": 292.187435502236,
"volume_molar": 17.595938648978866,
"formula_full": "K2 Al1 In1 Cl6",
"formula_reduced": "K2AlInCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-52876",
"created_at": "2022-09-04T14:36:47.554239Z",
"updated_at": "2022-09-04T14:36:47.554266Z",
"structure_string": "Na2 H6 Se4 O12\n1.0\n0.000000 4.511503 0.034681\n5.980315 0.000000 0.000000\n0.000000 -3.868929 -10.373610\nNa H Se O\n2 6 4 12\ndirect\n-0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n-0.000000 0.000000 0.500000 H\n0.000000 0.500000 0.000000 H\n0.790065 0.554348 0.686561 H\n0.790065 0.945653 0.186561 H\n0.209934 0.445653 0.313439 H\n0.209934 0.054347 0.813439 H\n0.311085 0.887571 0.343074 Se\n0.311085 0.612430 0.843074 Se\n0.688914 0.112430 0.656927 Se\n0.688914 0.387571 0.156926 Se\n0.964123 0.826714 0.199080 O\n0.849941 0.361425 0.035135 O\n0.849941 0.138576 0.535135 O\n0.150058 0.638576 0.964865 O\n0.150058 0.861425 0.464865 O\n0.525290 0.131120 0.145891 O\n0.525289 0.368880 0.645892 O\n0.474710 0.868881 0.854109 O\n0.474710 0.631120 0.354109 O\n0.035877 0.173286 0.800920 O\n0.035877 0.326714 0.300920 O\n0.964122 0.673287 0.699080 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Na",
"H",
"Se",
"O"
],
"chemical_system": "H-Na-O-Se",
"density": 3.331196213944068,
"density_atomic": 0.08599692755212562,
"volume": 279.0797378831098,
"volume_molar": 7.002739436649964,
"formula_full": "Na2 H6 Se4 O12",
"formula_reduced": "NaH3(SeO3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.3783247277777777,
"spacegroup": 14
},
{
"id": "jvasp-43151",
"created_at": "2022-09-04T14:36:47.556148Z",
"updated_at": "2022-09-04T14:36:47.556166Z",
"structure_string": "Li6 Si2 Ni2 O10\n1.0\n4.964600 0.022366 -0.006667\n1.528357 5.300212 0.000742\n1.734559 0.987828 6.104321\nLi Si Ni O\n6 2 2 10\ndirect\n0.486925 0.252855 0.004562 Li\n0.301921 0.448544 0.404114 Li\n0.294758 0.950561 0.405343 Li\n0.705243 0.049440 0.594656 Li\n0.698080 0.551457 0.595885 Li\n0.513076 0.747146 0.995437 Li\n0.901854 0.845313 0.219773 Si\n0.098147 0.154688 0.780226 Si\n0.099815 0.651577 0.793485 Ni\n0.900186 0.348424 0.206514 Ni\n0.358146 0.340251 0.719162 O\n0.639382 0.129633 0.279962 O\n0.641855 0.659749 0.280837 O\n0.157024 0.052823 0.093264 O\n0.996263 0.761115 0.467894 O\n0.161423 0.568492 0.112344 O\n0.838578 0.431509 0.887655 O\n0.003738 0.238886 0.532105 O\n0.842977 0.947178 0.906735 O\n0.360619 0.870368 0.720037 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Si",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O-Si",
"density": 3.8826672079078213,
"density_atomic": 0.12463808934027541,
"volume": 160.4645907672561,
"volume_molar": 4.831701762981064,
"formula_full": "Li6 Si2 Ni2 O10",
"formula_reduced": "Li3SiNiO5",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 1.9799128500000005,
"spacegroup": 2
},
{
"id": "jvasp-105587",
"created_at": "2022-09-04T14:36:48.861320Z",
"updated_at": "2022-09-04T14:36:48.861350Z",
"structure_string": "Li1 Ni3 O1 F5\n1.0\n4.416492 0.000002 2.565316\n-1.373024 4.621874 -2.646056\n0.002094 0.002154 5.148975\nLi Ni O F\n1 3 1 5\ndirect\n0.146978 0.430248 0.162890 Li\n0.367931 0.027182 0.329687 Ni\n0.656231 0.951126 0.623450 Ni\n0.833656 0.569698 0.878831 Ni\n0.545321 0.750376 0.258094 O\n0.061844 0.247253 0.445695 F\n0.255409 0.760636 0.929751 F\n0.760597 0.257134 0.057909 F\n0.437112 0.259062 0.753810 F\n0.934918 0.747275 0.559877 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Ni",
"O",
"F"
],
"chemical_system": "F-Li-Ni-O",
"density": 4.6454586542153695,
"density_atomic": 0.09515103909729132,
"volume": 105.09606720926153,
"volume_molar": 6.329033100565933,
"formula_full": "Li1 Ni3 O1 F5",
"formula_reduced": "LiNi3OF5",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 0.4786392112499998,
"spacegroup": 1
},
{
"id": "jvasp-101929",
"created_at": "2022-09-04T14:36:59.692174Z",
"updated_at": "2022-09-04T14:36:59.692190Z",
"structure_string": "Mg2 H4 C6 O8\n1.0\n4.479431 0.005390 -1.469866\n-0.898322 5.739765 -1.211303\n-0.073454 -0.226381 6.948934\nMg H C O\n2 4 6 8\ndirect\n0.539692 0.493803 0.180762 Mg\n0.039691 -0.006199 0.180760 Mg\n0.451501 0.183643 0.673687 H\n0.951501 0.683650 0.673689 H\n0.625599 0.459766 0.701974 H\n0.125606 0.959770 0.701976 H\n0.167782 0.777214 0.685223 C\n0.667781 0.277211 0.685221 C\n0.412525 0.784411 0.890462 C\n0.209176 0.707957 0.473518 C\n0.709176 0.207956 0.473515 C\n0.912523 0.284410 0.890461 C\n0.470815 0.208733 0.314174 O\n0.956364 0.168527 0.452124 O\n0.456367 0.668532 0.452127 O\n0.827787 0.274887 0.047460 O\n0.689960 0.804500 0.908964 O\n0.189963 0.304508 0.908963 O\n0.327788 0.774893 0.047464 O\n0.970817 0.708729 0.314175 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"H",
"C",
"O"
],
"chemical_system": "C-H-Mg-O",
"density": 2.3767727503300184,
"density_atomic": 0.11328210809927476,
"volume": 176.5503867784046,
"volume_molar": 5.316056402059977,
"formula_full": "Mg2 H4 C6 O8",
"formula_reduced": "MgH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.714590305,
"spacegroup": 1
},
{
"id": "jvasp-107398",
"created_at": "2022-09-04T14:36:54.955737Z",
"updated_at": "2022-09-04T14:36:54.955746Z",
"structure_string": "Na2 Y1 Ag1 F6\n1.0\n5.529546 -0.000000 3.192485\n1.843182 5.213306 3.192485\n-0.000000 -0.000000 6.384970\nNa Y Ag F\n2 1 1 6\ndirect\n0.750000 0.750001 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.499999 Ag\n0.762113 0.237887 0.237886 F\n0.237887 0.237887 0.762112 F\n0.237887 0.762113 0.762112 F\n0.237887 0.762113 0.237886 F\n0.762113 0.237887 0.762112 F\n0.762113 0.762113 0.237886 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Y",
"Ag",
"F"
],
"chemical_system": "Ag-F-Na-Y",
"density": 3.2184312103829336,
"density_atomic": 0.054329842577314755,
"volume": 184.0609051235401,
"volume_molar": 11.084406790669636,
"formula_full": "Na2 Y1 Ag1 F6",
"formula_reduced": "Na2YAgF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}