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=62",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=60",
"results": [
{
"id": "jvasp-7842",
"created_at": "2022-09-04T14:36:59.300762Z",
"updated_at": "2022-09-04T14:36:59.300792Z",
"structure_string": "Al1 Cr2\n1.0\n2.802135 -0.000000 -0.919656\n-0.301830 2.785831 -0.919656\n0.027108 0.030204 4.811386\nAl Cr\n1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.315076 0.315075 0.630154 Cr\n0.684922 0.684923 0.369845 Cr\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Al",
"Cr"
],
"chemical_system": "Al-Cr",
"density": 5.766642151117678,
"density_atomic": 0.07954464260497396,
"volume": 37.71467067742421,
"volume_molar": 7.5707685178831055,
"formula_full": "Al1 Cr2",
"formula_reduced": "AlCr2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.2902492000000008,
"spacegroup": 139
},
{
"id": "jvasp-14903",
"created_at": "2022-09-04T14:36:50.954218Z",
"updated_at": "2022-09-04T14:36:50.954246Z",
"structure_string": "Al1 Cr2 B2\n1.0\n2.826180 0.000000 -0.749818\n0.000000 2.945225 0.000000\n0.001697 0.000000 5.707455\nAl Cr B\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.352476 0.500001 0.704951 Cr\n0.647525 0.500001 0.295049 Cr\n0.206160 0.000000 0.412321 B\n0.793841 0.000000 0.587679 B\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Al",
"Cr",
"B"
],
"chemical_system": "Al-B-Cr",
"density": 5.333305385166088,
"density_atomic": 0.10523857366956466,
"volume": 47.51109622313341,
"volume_molar": 5.722370182352275,
"formula_full": "Al1 Cr2 B2",
"formula_reduced": "Al(CrB)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.220926553333333,
"spacegroup": 65
},
{
"id": "jvasp-51506",
"created_at": "2022-09-04T14:37:32.226482Z",
"updated_at": "2022-09-04T14:37:32.226502Z",
"structure_string": "Al1 Cr3 B4\n1.0\n2.950470 -0.000000 0.000000\n0.000000 2.938026 0.000000\n0.000000 0.000000 8.080556\nAl Cr B\n1 3 4\ndirect\n0.500000 0.500001 0.500000 Al\n0.000000 0.000000 0.702289 Cr\n0.000000 0.000000 0.297711 Cr\n0.000000 0.500001 0.000000 Cr\n0.500000 0.000000 0.107815 B\n0.500000 0.500001 0.222286 B\n0.500000 0.000000 0.892186 B\n0.500000 0.500001 0.777714 B\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Al",
"Cr",
"B"
],
"chemical_system": "Al-B-Cr",
"density": 5.362659031131742,
"density_atomic": 0.11420941439971102,
"volume": 70.04676490154775,
"volume_molar": 5.2728934752468515,
"formula_full": "Al1 Cr3 B4",
"formula_reduced": "AlCr3B4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 4.893433166666666,
"spacegroup": 47
},
{
"id": "jvasp-117040",
"created_at": "2022-09-04T14:38:46.130000Z",
"updated_at": "2022-09-04T14:38:46.130014Z",
"structure_string": "Al1 Cr3 O8\n1.0\n4.960255 0.018841 2.839167\n1.655090 4.676020 2.839167\n0.026549 0.018841 5.715269\nAl Cr O\n1 3 8\ndirect\n0.500001 0.500000 0.500000 Al\n0.000000 0.500000 0.500000 Cr\n0.500001 0.500000 0.000000 Cr\n0.500001 -0.000000 0.500000 Cr\n0.263227 0.263226 0.263227 O\n0.703638 0.264345 0.264346 O\n0.264346 0.264345 0.703637 O\n0.264346 0.703637 0.264346 O\n0.736775 0.736773 0.736774 O\n0.296364 0.735654 0.735655 O\n0.735655 0.735654 0.296363 O\n0.735655 0.296363 0.735655 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Al",
"Cr",
"O"
],
"chemical_system": "Al-Cr-O",
"density": 3.9161833060671025,
"density_atomic": 0.09100884353594976,
"volume": 131.85531794236934,
"volume_molar": 6.617094038362514,
"formula_full": "Al1 Cr3 O8",
"formula_reduced": "AlCr3O8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.42286525,
"spacegroup": 166
},
{
"id": "jvasp-113123",
"created_at": "2022-09-04T14:38:46.812223Z",
"updated_at": "2022-09-04T14:38:46.812242Z",
"structure_string": "Al1 Cr4 Ag1 S8\n1.0\n6.184154 -0.000000 3.570423\n2.061385 5.830476 3.570423\n-0.000000 -0.000000 7.140846\nAl Cr Ag S\n1 4 1 8\ndirect\n0.000000 0.000000 0.000000 Al\n0.621691 0.621692 0.134923 Cr\n0.621691 0.134924 0.621692 Cr\n0.134923 0.621692 0.621692 Cr\n0.621691 0.621692 0.621692 Cr\n0.250000 0.250000 0.250000 Ag\n0.867514 0.867516 0.397454 S\n0.867515 0.397454 0.867516 S\n0.397453 0.867516 0.867516 S\n0.867514 0.867516 0.867516 S\n0.389497 0.389497 0.831509 S\n0.389496 0.831509 0.389497 S\n0.831508 0.389497 0.389497 S\n0.389497 0.389497 0.389497 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Al",
"Cr",
"Ag",
"S"
],
"chemical_system": "Ag-Al-Cr-S",
"density": 3.8654372796920753,
"density_atomic": 0.054374347766324514,
"volume": 257.47435279896035,
"volume_molar": 11.075334247465992,
"formula_full": "Al1 Cr4 Ag1 S8",
"formula_reduced": "AlCr4AgS8",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 3.0959364042857147,
"spacegroup": 216
},
{
"id": "jvasp-108809",
"created_at": "2022-09-04T14:38:19.721215Z",
"updated_at": "2022-09-04T14:38:19.721233Z",
"structure_string": "Al1 Cr4 Ga1 C2\n1.0\n2.857927 0.000000 0.000000\n-1.428963 2.475038 0.000000\n0.000000 0.000000 12.547321\nAl Cr Ga C\n1 4 1 2\ndirect\n0.666668 0.333334 -0.000000 Al\n0.666668 0.333334 0.663668 Cr\n0.333335 0.666667 0.833784 Cr\n0.333335 0.666667 0.166216 Cr\n0.666668 0.333334 0.336332 Cr\n0.333335 0.666667 0.500000 Ga\n0.000000 0.000000 0.748766 C\n0.000000 0.000000 0.251234 C\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Al",
"Cr",
"Ga",
"C"
],
"chemical_system": "Al-C-Cr-Ga",
"density": 6.150047213633478,
"density_atomic": 0.09013759694127395,
"volume": 88.75319812677195,
"volume_molar": 6.681053150244863,
"formula_full": "Al1 Cr4 Ga1 C2",
"formula_reduced": "AlCr4GaC2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 4.704211840625,
"spacegroup": 187
},
{
"id": "jvasp-110291",
"created_at": "2022-09-04T14:37:52.510084Z",
"updated_at": "2022-09-04T14:37:52.510113Z",
"structure_string": "Al1 Cr6 Si1\n1.0\n4.542875 0.000000 0.000000\n0.000000 4.542875 0.000000\n-0.000000 -0.000000 4.542875\nAl Cr Si\n1 6 1\ndirect\n0.500001 0.500001 0.500001 Al\n-0.000000 0.500001 0.754183 Cr\n0.500001 0.245818 -0.000000 Cr\n0.754183 0.000000 0.500001 Cr\n-0.000000 0.500001 0.245818 Cr\n0.500001 0.754183 -0.000000 Cr\n0.245818 0.000000 0.500001 Cr\n0.000000 0.000000 0.000000 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Al",
"Cr",
"Si"
],
"chemical_system": "Al-Cr-Si",
"density": 6.500914252220895,
"density_atomic": 0.08532919052005838,
"volume": 93.7545516515762,
"volume_molar": 7.05753883670603,
"formula_full": "Al1 Cr6 Si1",
"formula_reduced": "AlCr6Si",
"formula_anonymous": "ABC6",
"energy_above_hull": 4.860594475,
"spacegroup": 200
},
{
"id": "jvasp-35244",
"created_at": "2022-09-04T14:38:06.606671Z",
"updated_at": "2022-09-04T14:38:06.606704Z",
"structure_string": "Al1 Cu1\n1.0\n2.997266 -0.000000 -0.000000\n0.000000 2.997266 -0.000000\n-0.000000 0.000000 2.997266\nAl Cu\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500001 0.500001 0.500001 Cu\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Al",
"Cu"
],
"chemical_system": "Al-Cu",
"density": 5.582824144555491,
"density_atomic": 0.07427696227777103,
"volume": 26.926249252368024,
"volume_molar": 8.107683156830252,
"formula_full": "Al1 Cu1",
"formula_reduced": "AlCu",
"formula_anonymous": "AB",
"energy_above_hull": 0.3559166250000001,
"spacegroup": 221
},
{
"id": "jvasp-40402",
"created_at": "2022-09-04T14:37:47.513054Z",
"updated_at": "2022-09-04T14:37:47.513071Z",
"structure_string": "Al1 Cu1 Au2\n1.0\n0.000000 3.146154 3.146154\n3.146154 -0.000000 3.146154\n3.146154 3.146154 0.000000\nAl Cu Au\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Al\n0.749999 0.749999 0.749999 Cu\n0.499999 0.499999 0.499999 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Cu",
"Au"
],
"chemical_system": "Al-Au-Cu",
"density": 12.916287472539267,
"density_atomic": 0.06422292255299755,
"volume": 62.283057839654525,
"volume_molar": 9.376933531840526,
"formula_full": "Al1 Cu1 Au2",
"formula_reduced": "AlCuAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4639170975,
"spacegroup": 225
},
{
"id": "jvasp-110308",
"created_at": "2022-09-04T14:38:16.641034Z",
"updated_at": "2022-09-04T14:38:16.641052Z",
"structure_string": "Al1 Cu1 F5\n1.0\n4.938284 0.004043 -1.378420\n-0.928421 3.216586 -3.883081\n-0.019601 -0.004043 5.127018\nAl Cu F\n1 1 5\ndirect\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Cu\n0.794956 0.500000 0.294957 F\n0.205044 0.500001 0.705045 F\n0.253694 0.253694 0.000000 F\n0.746305 0.746306 0.000000 F\n0.500000 0.000000 0.500000 F\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Al",
"Cu",
"F"
],
"chemical_system": "Al-Cu-F",
"density": 3.7896898003959656,
"density_atomic": 0.08611184858798349,
"volume": 81.28962639616144,
"volume_molar": 6.993393892649939,
"formula_full": "Al1 Cu1 F5",
"formula_reduced": "AlCuF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.0,
"spacegroup": 71
},
{
"id": "jvasp-8284",
"created_at": "2022-09-04T14:36:41.033578Z",
"updated_at": "2022-09-04T14:36:41.033608Z",
"structure_string": "Al1 Cu1 F5\n1.0\n3.359743 -0.000000 1.235516\n1.391139 4.742240 1.402912\n0.017854 -0.014133 5.137291\nAl Cu F\n1 1 5\ndirect\n0.499999 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Cu\n0.500000 0.794752 0.205248 F\n0.499999 0.205248 0.794753 F\n0.746524 0.253475 0.253475 F\n0.253474 0.746526 0.746525 F\n-0.000000 0.500000 0.500000 F\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Al",
"Cu",
"F"
],
"chemical_system": "Al-Cu-F",
"density": 3.766566526834806,
"density_atomic": 0.08558642620867714,
"volume": 81.78867035448559,
"volume_molar": 7.036326934970734,
"formula_full": "Al1 Cu1 F5",
"formula_reduced": "AlCuF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.0016228571428572,
"spacegroup": 71
},
{
"id": "jvasp-88723",
"created_at": "2022-09-04T14:35:41.765045Z",
"updated_at": "2022-09-04T14:35:41.765070Z",
"structure_string": "Al1 Cu1 H28 S2 Cl1 O22\n1.0\n6.275238 -0.004171 -0.513361\n1.696435 13.101463 -0.429325\n-0.003194 -0.002692 6.206551\nAl Cu H S Cl O\n1 1 28 2 1 22\ndirect\n0.500001 0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Cu\n0.221342 0.318048 0.371666 H\n0.778658 0.681952 0.628335 H\n0.642192 0.680442 0.391666 H\n0.533704 0.279948 0.910608 H\n0.466296 0.720052 0.089393 H\n0.283755 0.311555 0.951654 H\n0.716246 0.688445 0.048347 H\n0.885827 0.400480 0.991798 H\n0.114173 0.599520 0.008203 H\n0.151624 0.526633 0.216002 H\n0.848376 0.473367 0.783999 H\n0.718503 0.453669 0.362718 H\n0.281497 0.546331 0.637283 H\n0.357808 0.319558 0.608335 H\n0.493361 0.610720 0.647101 H\n0.506639 0.389280 0.352900 H\n0.713103 0.133002 0.349238 H\n0.517860 0.806555 0.582533 H\n0.482140 0.193445 0.417468 H\n0.879855 0.898267 0.534058 H\n0.120145 0.101733 0.465943 H\n0.286897 0.866998 0.650763 H\n0.199336 0.092888 0.726466 H\n0.311091 0.909148 0.171486 H\n0.688910 0.090852 0.828515 H\n0.694944 0.969802 0.877092 H\n0.800665 0.907112 0.273535 H\n0.305057 0.030198 0.122909 H\n0.016256 0.806570 0.933095 S\n0.983744 0.193430 0.066906 S\n-0.000000 0.500000 0.500000 Cl\n0.376408 0.972776 0.215665 O\n0.623592 0.027224 0.784336 O\n0.421522 0.557339 0.714343 O\n0.578478 0.442661 0.285658 O\n0.596447 0.671718 0.129620 O\n0.797875 0.462178 0.927676 O\n0.230356 0.068095 0.575989 O\n0.403553 0.328282 0.870381 O\n0.202126 0.537822 0.072325 O\n0.769645 0.931905 0.424012 O\n0.054924 0.842045 0.716131 O\n0.430896 0.876276 0.601444 O\n0.785376 0.196609 0.920400 O\n0.214624 0.803391 0.079601 O\n0.159628 0.121900 0.977968 O\n0.840373 0.878100 0.022032 O\n0.945076 0.157954 0.283870 O\n0.052058 0.297337 0.090366 O\n0.947942 0.702663 0.909635 O\n0.633980 0.694983 0.552684 O\n0.569105 0.123724 0.398557 O\n0.366020 0.305017 0.447317 O\n",
"nsites": 55,
"nelements": 6,
"elements": [
"Al",
"Cu",
"H",
"S",
"Cl",
"O"
],
"chemical_system": "Al-Cl-Cu-H-O-S",
"density": 1.8558898760167009,
"density_atomic": 0.10778230150528464,
"volume": 510.28786017622116,
"volume_molar": 5.587318767455276,
"formula_full": "Al1 Cu1 H28 S2 Cl1 O22",
"formula_reduced": "AlCuH28S2ClO22",
"formula_anonymous": "ABCD2E22F28",
"energy_above_hull": 3.0722593512272725,
"spacegroup": 2
}
]
}