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=formula_full&page=896",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=894",
"results": [
{
"id": "jvasp-98041",
"created_at": "2022-09-04T14:38:12.093401Z",
"updated_at": "2022-09-04T14:38:12.093431Z",
"structure_string": "Ca4 V8 O16\n1.0\n2.971468 -0.000000 0.000000\n0.000000 9.261880 0.000000\n0.000000 0.000000 10.758675\nCa V O\n4 8 16\ndirect\n0.250000 0.242010 0.345057 Ca\n0.250000 0.742010 0.154943 Ca\n0.750000 0.257990 0.845057 Ca\n0.750000 0.757990 0.654943 Ca\n0.250000 0.583470 0.894692 V\n0.750000 0.416530 0.105308 V\n0.750000 0.936446 0.886524 V\n0.750000 0.916530 0.394692 V\n0.250000 0.563554 0.386524 V\n0.750000 0.436446 0.613476 V\n0.250000 0.063554 0.113476 V\n0.250000 0.083470 0.605308 V\n0.750000 0.523811 0.783331 O\n0.250000 0.083231 0.926894 O\n0.750000 0.916769 0.073107 O\n0.250000 0.976189 0.283330 O\n0.750000 0.023811 0.716670 O\n0.250000 0.476189 0.216670 O\n0.250000 0.883050 0.523645 O\n0.250000 0.293259 0.664664 O\n0.250000 0.383050 0.976356 O\n0.750000 0.616950 0.023644 O\n0.250000 0.793259 0.835337 O\n0.750000 0.206741 0.164664 O\n0.750000 0.416769 0.426894 O\n0.750000 0.706741 0.335336 O\n0.750000 0.116950 0.476356 O\n0.250000 0.583231 0.573107 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ca",
"V",
"O"
],
"chemical_system": "Ca-O-V",
"density": 4.620192001122543,
"density_atomic": 0.09456469700716966,
"volume": 296.0935834001256,
"volume_molar": 6.368275847744128,
"formula_full": "Ca4 V8 O16",
"formula_reduced": "CaV2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.52843326,
"spacegroup": 62
},
{
"id": "jvasp-107146",
"created_at": "2022-09-04T14:36:57.456410Z",
"updated_at": "2022-09-04T14:36:57.456426Z",
"structure_string": "Ca4 W2 N4\n1.0\n4.836463 -0.011631 -1.939564\n-2.753707 5.618159 0.053658\n-0.037003 -0.029326 6.611922\nCa W N\n4 2 4\ndirect\n0.096386 0.423384 0.781721 Ca\n0.903614 0.576615 0.218279 Ca\n0.288493 0.219323 0.339442 Ca\n0.711507 0.780677 0.660558 Ca\n0.426846 0.068159 0.809162 W\n0.573153 0.931840 0.190838 W\n0.585270 0.393597 0.776323 N\n0.414729 0.606402 0.223677 N\n0.188858 0.788654 0.605657 N\n0.811141 0.211345 0.394343 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"W",
"N"
],
"chemical_system": "Ca-N-W",
"density": 5.4209703158652225,
"density_atomic": 0.05589862228613829,
"volume": 178.89528562638287,
"volume_molar": 10.773325913424824,
"formula_full": "Ca4 W2 N4",
"formula_reduced": "Ca2WN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.535341467999999,
"spacegroup": 2
},
{
"id": "jvasp-112955",
"created_at": "2022-09-04T14:38:45.652264Z",
"updated_at": "2022-09-04T14:38:45.652288Z",
"structure_string": "Ca4 W4 O16\n1.0\n7.696647 0.029333 0.000000\n-3.845082 6.667427 0.000000\n-0.000000 -0.000000 5.294870\nCa W O\n4 4 16\ndirect\n0.588649 0.911351 0.750000 Ca\n0.911352 0.588649 0.250000 Ca\n0.411351 0.088649 0.250000 Ca\n0.088649 0.411351 0.750000 Ca\n0.408276 0.591725 0.207588 W\n0.591725 0.408275 0.792412 W\n0.091725 0.908276 0.707588 W\n0.908276 0.091724 0.292412 W\n0.907979 0.092021 0.945537 O\n0.092021 0.907979 0.054463 O\n0.350441 0.350441 -0.000000 O\n0.850442 0.850441 0.500000 O\n0.649559 0.649559 -0.000000 O\n0.149559 0.149559 0.500000 O\n0.700623 0.299377 0.001251 O\n0.899135 0.600865 0.750000 O\n0.799378 0.200622 0.501251 O\n0.200623 0.799378 0.498749 O\n0.407979 0.592021 0.554463 O\n0.600866 0.899135 0.250000 O\n0.100866 0.399135 0.250000 O\n0.399135 0.100865 0.750000 O\n0.299378 0.700623 -0.001251 O\n0.592021 0.407979 0.445537 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ca",
"W",
"O"
],
"chemical_system": "Ca-O-W",
"density": 7.02272512178407,
"density_atomic": 0.0881338264757873,
"volume": 272.31315103053464,
"volume_molar": 6.832950526270912,
"formula_full": "Ca4 W4 O16",
"formula_reduced": "CaWO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.731195736666667,
"spacegroup": 64
},
{
"id": "jvasp-9863",
"created_at": "2022-09-04T14:38:13.853627Z",
"updated_at": "2022-09-04T14:38:13.853654Z",
"structure_string": "Ca4 Y2 Bi2 O10\n1.0\n5.984957 0.001363 -0.008168\n0.002601 6.110795 0.093676\n-2.985932 -2.842573 7.886060\nCa Y Bi O\n4 2 2 10\ndirect\n0.333691 0.953209 0.689401 Ca\n0.101303 0.697326 0.241337 Ca\n0.644716 0.197325 0.241417 Ca\n0.859982 0.453255 0.689409 Ca\n0.719577 0.845672 0.471366 Y\n0.256040 0.345623 0.471477 Y\n0.469983 0.545042 0.018410 Bi\n0.053084 0.045167 0.018501 Bi\n0.368825 0.136057 0.965748 O\n0.961519 0.335594 0.200833 O\n0.299147 0.037748 0.257243 O\n0.547458 0.658099 0.601627 O\n0.024190 0.146817 0.547042 O\n0.558607 0.158245 0.602097 O\n0.027127 0.646924 0.547393 O\n0.101345 0.636268 0.965749 O\n0.462713 0.537696 0.257002 O\n0.743685 0.835404 0.200675 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ca",
"Y",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-O-Y",
"density": 5.247997026789859,
"density_atomic": 0.06209895578355038,
"volume": 289.8599464818712,
"volume_molar": 9.69765221333275,
"formula_full": "Ca4 Y2 Bi2 O10",
"formula_reduced": "Ca2YBiO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.6599308988888888,
"spacegroup": 9
},
{
"id": "jvasp-9938",
"created_at": "2022-09-04T14:37:09.324850Z",
"updated_at": "2022-09-04T14:37:09.324871Z",
"structure_string": "Ca4 Y2 Sb2 O10\n1.0\n6.056159 0.007799 0.013062\n-0.008608 5.943684 -0.000936\n-2.539400 -2.973951 7.446254\nCa Y Sb O\n4 2 2 10\ndirect\n0.787255 0.363215 0.745488 Ca\n0.619934 0.134154 0.227208 Ca\n0.119950 0.595897 0.227196 Ca\n0.287213 0.885061 0.745465 Ca\n0.682792 0.733512 0.476042 Y\n0.182794 0.245356 0.476040 Y\n0.478645 0.502478 -0.000339 Sb\n-0.021340 -0.000031 -0.000313 Sb\n0.609900 0.170277 0.910427 O\n0.791828 0.685065 0.039635 O\n0.414786 0.399371 0.369656 O\n0.884125 0.757719 0.745622 O\n0.351564 0.916060 0.481892 O\n0.384127 0.490763 0.745625 O\n0.851542 0.068677 0.481871 O\n0.109947 0.242995 0.910416 O\n0.914821 0.473170 0.369718 O\n0.291754 0.857393 0.039673 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ca",
"Y",
"Sb",
"O"
],
"chemical_system": "Ca-O-Sb-Y",
"density": 4.59152190616707,
"density_atomic": 0.0671101593352264,
"volume": 268.2157243896115,
"volume_molar": 8.9735158128867,
"formula_full": "Ca4 Y2 Sb2 O10",
"formula_reduced": "Ca2YSbO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.7497333211111112,
"spacegroup": 9
},
{
"id": "jvasp-9946",
"created_at": "2022-09-04T14:37:10.850513Z",
"updated_at": "2022-09-04T14:37:10.850538Z",
"structure_string": "Ca4 Y2 Sn2 O10\n1.0\n-5.854335 0.147993 -0.012839\n0.078168 -6.073196 0.006385\n2.711362 2.869084 7.687801\nCa Y Sn O\n4 2 2 10\ndirect\n0.343636 0.797760 0.727451 Ca\n0.108718 0.611382 0.234182 Ca\n0.631926 0.115746 0.216117 Ca\n0.807625 0.240939 0.715642 Ca\n0.714167 0.664284 0.455061 Y\n0.210338 0.183927 0.471738 Y\n0.480893 0.463320 0.965375 Sn\n0.004702 0.927777 0.985713 Sn\n0.801486 0.594449 0.943814 O\n0.352357 0.788885 0.016411 O\n0.973058 0.415941 0.369285 O\n0.962974 0.883666 0.730311 O\n0.565940 0.358001 0.505021 O\n0.208134 0.372025 0.732357 O\n0.413526 0.873321 0.495370 O\n0.608873 0.143815 0.909620 O\n0.883747 0.900531 0.350655 O\n0.434645 0.438546 0.179474 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ca",
"Y",
"Sn",
"O"
],
"chemical_system": "Ca-O-Sn-Y",
"density": 4.471615609132533,
"density_atomic": 0.065899623551325,
"volume": 273.1426832200483,
"volume_molar": 9.138353810640115,
"formula_full": "Ca4 Y2 Sn2 O10",
"formula_reduced": "Ca2YSnO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.58668061,
"spacegroup": 1
},
{
"id": "jvasp-112600",
"created_at": "2022-09-04T14:38:41.247188Z",
"updated_at": "2022-09-04T14:38:41.247215Z",
"structure_string": "Ca4 Y4 B4 O16\n1.0\n3.574511 -0.000000 0.000000\n0.000000 9.641301 0.000000\n-0.000000 -0.000000 10.471758\nCa Y B O\n4 4 4 16\ndirect\n0.250000 0.669042 0.083501 Ca\n0.750000 0.330958 0.916499 Ca\n0.750000 0.169042 0.416499 Ca\n0.250000 0.830958 0.583501 Ca\n0.250000 0.087455 0.112453 Y\n0.750000 0.912545 0.887547 Y\n0.750000 0.587455 0.387547 Y\n0.250000 0.412545 0.612454 Y\n0.250000 0.131154 0.699908 B\n0.750000 0.868846 0.300092 B\n0.750000 0.631154 0.800092 B\n0.250000 0.368846 0.199908 B\n0.750000 0.385245 0.492590 O\n0.250000 0.614755 0.507410 O\n0.250000 0.147543 0.567203 O\n0.750000 0.852457 0.432797 O\n0.750000 0.647543 0.932797 O\n0.250000 0.352457 0.067203 O\n0.250000 0.250043 0.775840 O\n0.750000 0.498985 0.748050 O\n0.750000 0.750043 0.724160 O\n0.250000 0.249957 0.275840 O\n0.250000 0.998985 0.751950 O\n0.750000 0.001015 0.248050 O\n0.750000 0.114755 0.992590 O\n0.250000 0.501015 0.251950 O\n0.750000 0.749957 0.224160 O\n0.250000 0.885245 0.007410 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ca",
"Y",
"B",
"O"
],
"chemical_system": "B-Ca-O-Y",
"density": 3.750812049127399,
"density_atomic": 0.07758649887357746,
"volume": 360.8875307754809,
"volume_molar": 7.761841103067065,
"formula_full": "Ca4 Y4 B4 O16",
"formula_reduced": "CaYBO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.2208217790476192,
"spacegroup": 62
},
{
"id": "jvasp-55277",
"created_at": "2022-09-04T14:38:14.384989Z",
"updated_at": "2022-09-04T14:38:14.385009Z",
"structure_string": "Ca4 Y8 S16\n1.0\n3.891924 0.000000 0.000000\n0.000000 12.963118 0.000000\n0.000000 0.000000 13.099409\nCa Y S\n4 8 16\ndirect\n0.749999 0.630375 0.417872 Ca\n0.250000 0.369625 0.582128 Ca\n0.749999 0.130375 0.082128 Ca\n0.250000 0.869625 0.917872 Ca\n0.749999 0.854018 0.203000 Y\n0.250000 0.145982 0.797000 Y\n0.250000 0.645982 0.703000 Y\n0.749999 0.354018 0.297000 Y\n0.749999 0.392132 0.916210 Y\n0.250000 0.107868 0.416210 Y\n0.749999 0.892132 0.583790 Y\n0.250000 0.607868 0.083790 Y\n0.250000 0.533967 0.882492 S\n0.250000 0.217582 0.236092 S\n0.749999 0.782418 0.763908 S\n0.749999 0.966033 0.382492 S\n0.250000 0.033967 0.617508 S\n0.749999 0.466033 0.117508 S\n0.250000 0.756332 0.524885 S\n0.749999 0.028397 0.882704 S\n0.250000 0.256332 0.975115 S\n0.749999 0.743668 0.024885 S\n0.749999 0.528397 0.617296 S\n0.250000 0.471603 0.382704 S\n0.749999 0.282418 0.736092 S\n0.250000 0.971603 0.117296 S\n0.749999 0.243668 0.475115 S\n0.250000 0.717582 0.263908 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ca",
"Y",
"S"
],
"chemical_system": "Ca-S-Y",
"density": 3.4789446633768195,
"density_atomic": 0.04236746738894268,
"volume": 660.8844409545143,
"volume_molar": 14.214068319721406,
"formula_full": "Ca4 Y8 S16",
"formula_reduced": "Ca(YS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.782681617142857,
"spacegroup": 62
},
{
"id": "jvasp-89095",
"created_at": "2022-09-04T14:35:47.465874Z",
"updated_at": "2022-09-04T14:35:47.465905Z",
"structure_string": "Ca4 Yb8 O16\n1.0\n3.401194 -0.000000 0.000000\n-0.000000 9.141648 0.000000\n0.000000 0.000000 11.692148\nYb Ca O\n8 4 16\ndirect\n0.250000 0.563709 0.888683 Yb\n0.250000 0.063709 0.611317 Yb\n0.749999 0.936291 0.388683 Yb\n0.749999 0.892717 0.898936 Yb\n0.250000 0.107283 0.101064 Yb\n0.749999 0.392717 0.601064 Yb\n0.250000 0.607283 0.398936 Yb\n0.749999 0.436291 0.111317 Yb\n0.250000 0.763831 0.156336 Ca\n0.749999 0.236169 0.843664 Ca\n0.250000 0.263831 0.343664 Ca\n0.749999 0.736170 0.656336 Ca\n0.250000 0.777806 0.798737 O\n0.749999 0.222194 0.201263 O\n0.250000 0.569813 0.591604 O\n0.749999 0.657021 0.010558 O\n0.250000 0.342980 0.989442 O\n0.749999 0.157020 0.489442 O\n0.250000 0.842980 0.510558 O\n0.749999 0.492636 0.779369 O\n0.250000 0.507364 0.220631 O\n0.749999 0.992637 0.720631 O\n0.250000 0.007364 0.279369 O\n0.749999 0.930187 0.091604 O\n0.250000 0.069813 0.908396 O\n0.749999 0.430187 0.408396 O\n0.749999 0.722194 0.298737 O\n0.250000 0.277806 0.701264 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Yb",
"Ca",
"O"
],
"chemical_system": "Ca-O-Yb",
"density": 8.224727974229886,
"density_atomic": 0.0770207650720042,
"volume": 363.5383259803212,
"volume_molar": 7.81885346681521,
"formula_full": "Ca4 Yb8 O16",
"formula_reduced": "CaYb2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.8426665457142855,
"spacegroup": 62
},
{
"id": "jvasp-110274",
"created_at": "2022-09-04T14:37:55.558580Z",
"updated_at": "2022-09-04T14:37:55.558604Z",
"structure_string": "Ca4 Zn1 Ag3\n1.0\n4.045967 -0.000000 0.000000\n0.000000 4.595346 0.000000\n-0.000000 -0.000000 11.290923\nCa Zn Ag\n4 1 3\ndirect\n0.500000 0.500000 0.142295 Ca\n-0.000000 0.500000 0.642485 Ca\n0.000000 0.000000 0.358000 Ca\n0.500000 0.000000 0.858110 Ca\n0.500000 0.500000 0.427189 Zn\n-0.000000 0.500000 0.922121 Ag\n0.000000 0.000000 0.078334 Ag\n0.500000 0.000000 0.571466 Ag\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"Ag"
],
"chemical_system": "Ag-Ca-Zn",
"density": 4.345191664691878,
"density_atomic": 0.03810833624793177,
"volume": 209.9278212502436,
"volume_molar": 15.802686112613578,
"formula_full": "Ca4 Zn1 Ag3",
"formula_reduced": "Ca4ZnAg3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.0,
"spacegroup": 25
},
{
"id": "jvasp-55270",
"created_at": "2022-09-04T14:38:18.985494Z",
"updated_at": "2022-09-04T14:38:18.985512Z",
"structure_string": "Ca4 Zn2 Ge4 O14\n1.0\n8.015407 0.000000 0.000000\n0.000000 8.015407 -0.000000\n0.000000 0.000000 5.197548\nCa Zn Ge O\n4 2 4 14\ndirect\n0.334407 0.834407 0.507765 Ca\n0.165593 0.334407 0.492235 Ca\n0.834407 0.665593 0.492235 Ca\n0.665593 0.165593 0.507765 Ca\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Zn\n0.145588 0.645589 0.943989 Ge\n0.354412 0.145588 0.056011 Ge\n0.645589 0.854412 0.056011 Ge\n0.854412 0.354412 0.943989 Ge\n0.000000 0.500000 0.795398 O\n0.500000 0.000000 0.204603 O\n0.639294 0.860706 0.720596 O\n0.860706 0.360706 0.279404 O\n0.086353 0.827605 0.771325 O\n0.172395 0.086353 0.228675 O\n0.327605 0.586353 0.771325 O\n0.913648 0.172395 0.771325 O\n0.586353 0.672396 0.228675 O\n0.413647 0.327605 0.228675 O\n0.139294 0.639294 0.279404 O\n0.672396 0.413647 0.771325 O\n0.827605 0.913648 0.228675 O\n0.360706 0.139294 0.720596 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ca",
"Zn",
"Ge",
"O"
],
"chemical_system": "Ca-Ge-O-Zn",
"density": 4.006479040182024,
"density_atomic": 0.07187230511002007,
"volume": 333.92556372390567,
"volume_molar": 8.378944783782124,
"formula_full": "Ca4 Zn2 Ge4 O14",
"formula_reduced": "Ca2ZnGe2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 1.43606647,
"spacegroup": 113
},
{
"id": "jvasp-94789",
"created_at": "2022-09-04T14:36:13.070443Z",
"updated_at": "2022-09-04T14:36:13.070477Z",
"structure_string": "Ca4 Zn4\n1.0\n6.714297 0.000000 0.000000\n0.000000 6.714297 -0.000000\n0.000000 -0.000000 6.714297\nCa Zn\n4 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.250000 0.250000 0.750000 Zn\n0.250000 0.750000 0.250000 Zn\n0.750000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ca",
"Zn"
],
"chemical_system": "Ca-Zn",
"density": 2.31476222516054,
"density_atomic": 0.026429463252656514,
"volume": 302.6924884369679,
"volume_molar": 22.785709654526162,
"formula_full": "Ca4 Zn4",
"formula_reduced": "CaZn",
"formula_anonymous": "AB",
"energy_above_hull": 0.6554636363636364,
"spacegroup": 216
}
]
}