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_reduced&page=3855",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=3853",
"results": [
{
"id": "jvasp-118362",
"created_at": "2022-09-04T14:38:50.015281Z",
"updated_at": "2022-09-04T14:38:50.015312Z",
"structure_string": "Ca1 Al1 N1\n1.0\n5.208575 0.000000 -0.000000\n0.000000 5.208575 0.000000\n0.000000 -0.000000 6.933741\nCa Al N\n1 1 1\ndirect\n0.000000 0.000000 0.715774 Ca\n0.000000 0.000000 0.255779 Al\n0.000000 0.000000 0.008319 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Al",
"N"
],
"chemical_system": "Al-Ca-N",
"density": 0.7156219626408598,
"density_atomic": 0.015948351370011698,
"volume": 188.10721750468932,
"volume_molar": 37.76027139283917,
"formula_full": "Ca1 Al1 N1",
"formula_reduced": "CaAlN",
"formula_anonymous": "ABC",
"energy_above_hull": 2.07178549,
"spacegroup": 99
},
{
"id": "jvasp-52004",
"created_at": "2022-09-04T14:37:38.822649Z",
"updated_at": "2022-09-04T14:37:38.822670Z",
"structure_string": "Ca4 Al4 H20\n1.0\n4.430517 0.000000 0.000000\n0.000000 4.949725 0.000000\n0.000000 0.000000 12.211323\nCa Al H\n4 4 20\ndirect\n0.776925 0.638459 0.840130 Ca\n0.276925 0.861540 0.159870 Ca\n0.223076 0.138459 0.659870 Ca\n0.723076 0.361540 0.340130 Ca\n0.309089 0.876117 0.412462 Al\n0.190912 0.123882 0.912462 Al\n0.690912 0.376117 0.087538 Al\n0.809089 0.623882 0.587538 Al\n0.472818 0.129606 0.483824 H\n0.369802 -0.092277 0.825020 H\n0.130198 0.092277 0.325020 H\n0.398349 0.377223 0.183416 H\n0.898350 0.122777 0.816583 H\n0.027182 0.870393 0.983824 H\n0.028417 0.868878 0.513087 H\n0.869802 0.592277 0.174980 H\n0.972819 0.370394 0.516176 H\n0.674001 -0.104075 0.657944 H\n0.174001 0.604075 0.342056 H\n0.471583 0.131121 0.013088 H\n0.528418 0.631121 0.486912 H\n0.630199 0.407722 0.674980 H\n0.826000 0.104075 0.157944 H\n-0.028417 0.368879 -0.013088 H\n0.601651 0.877222 0.316584 H\n0.527183 0.629605 0.016176 H\n0.101651 0.622776 0.683416 H\n0.326000 0.395925 0.842056 H\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ca",
"Al",
"H"
],
"chemical_system": "Al-Ca-H",
"density": 1.788304915325797,
"density_atomic": 0.10455861801471869,
"volume": 267.79236883236587,
"volume_molar": 5.759583355579801,
"formula_full": "Ca4 Al4 H20",
"formula_reduced": "CaAlH5",
"formula_anonymous": "ABC5",
"energy_above_hull": 2.245611888571429,
"spacegroup": 19
},
{
"id": "jvasp-118359",
"created_at": "2022-09-04T14:38:51.271530Z",
"updated_at": "2022-09-04T14:38:51.271553Z",
"structure_string": "Ca1 Al1 H2\n1.0\n3.314651 0.000000 0.000000\n0.000000 3.314651 -0.000000\n0.000000 -0.000000 4.743869\nCa Al H\n1 1 2\ndirect\n0.500000 0.500000 0.561553 Ca\n0.000000 0.000000 0.007836 Al\n0.000000 0.000000 0.369617 H\n0.500000 0.500000 0.070993 H\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Al",
"H"
],
"chemical_system": "Al-Ca-H",
"density": 2.2007176106380038,
"density_atomic": 0.07674528217106104,
"volume": 52.120467693169964,
"volume_molar": 7.846919823132551,
"formula_full": "Ca1 Al1 H2",
"formula_reduced": "CaAlH2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.565260805,
"spacegroup": 99
},
{
"id": "jvasp-118357",
"created_at": "2022-09-04T14:38:49.559589Z",
"updated_at": "2022-09-04T14:38:49.559612Z",
"structure_string": "Ca1 Al1 H1\n1.0\n3.293037 0.000000 0.000000\n-0.000000 3.293037 -0.000000\n0.000000 -0.000000 6.810371\nCa Al H\n1 1 1\ndirect\n0.000000 0.000000 -0.002028 Ca\n0.000000 0.000000 0.440947 Al\n0.000000 0.000000 0.683868 H\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Al",
"H"
],
"chemical_system": "Al-Ca-H",
"density": 1.5304698168474893,
"density_atomic": 0.04062162221404259,
"volume": 73.85229433212842,
"volume_molar": 14.824963730567585,
"formula_full": "Ca1 Al1 H1",
"formula_reduced": "CaAlH",
"formula_anonymous": "ABC",
"energy_above_hull": 1.2410344066666668,
"spacegroup": 99
},
{
"id": "jvasp-15277",
"created_at": "2022-09-04T14:36:31.123040Z",
"updated_at": "2022-09-04T14:36:31.123060Z",
"structure_string": "Ca1 Al2 Ge2\n1.0\n2.099506 -3.636453 0.000000\n2.099506 3.636453 -0.000000\n0.000000 0.000000 7.130937\nCa Al Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666668 0.333334 0.370131 Al\n0.333334 0.666668 0.629869 Al\n0.333334 0.666668 0.257673 Ge\n0.666668 0.333334 0.742327 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Al",
"Ge"
],
"chemical_system": "Al-Ca-Ge",
"density": 3.6497099558617534,
"density_atomic": 0.04591962260933773,
"volume": 108.88591229369669,
"volume_molar": 13.11452581227312,
"formula_full": "Ca1 Al2 Ge2",
"formula_reduced": "Ca(AlGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.870833584,
"spacegroup": 164
},
{
"id": "jvasp-16172",
"created_at": "2022-09-04T14:36:58.346619Z",
"updated_at": "2022-09-04T14:36:58.346649Z",
"structure_string": "Ca1 Al2 Ga2\n1.0\n4.006688 0.000000 -1.450556\n-0.525151 3.972124 -1.450556\n0.012644 0.014426 6.293786\nCa Al Ga\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.750000 0.500000 Al\n0.750000 0.250000 0.500000 Al\n0.387395 0.387396 0.774792 Ga\n0.612605 0.612604 0.225207 Ga\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Al",
"Ga"
],
"chemical_system": "Al-Ca-Ga",
"density": 3.864250068206004,
"density_atomic": 0.04983371698701049,
"volume": 100.33367571805421,
"volume_molar": 12.08447036284633,
"formula_full": "Ca1 Al2 Ga2",
"formula_reduced": "Ca(AlGa)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.3607141340000002,
"spacegroup": 139
},
{
"id": "jvasp-111378",
"created_at": "2022-09-04T14:38:26.177806Z",
"updated_at": "2022-09-04T14:38:26.177832Z",
"structure_string": "Ca2 Al2 Ga2\n1.0\n4.536534 0.034814 3.542957\n2.278964 3.922713 3.542957\n-0.022437 -0.013028 7.335389\nCa Al Ga\n2 2 2\ndirect\n0.550019 0.550019 0.195245 Ca\n0.449979 0.449979 0.804758 Ca\n0.162295 0.162295 0.403878 Al\n0.837704 0.837703 0.596125 Al\n0.838377 0.838377 0.215050 Ga\n0.161621 0.161621 0.784952 Ga\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Al",
"Ga"
],
"chemical_system": "Al-Ca-Ga",
"density": 3.4844769683248904,
"density_atomic": 0.04602344202759703,
"volume": 130.36834568788274,
"volume_molar": 13.084942139679484,
"formula_full": "Ca2 Al2 Ga2",
"formula_reduced": "CaAlGa",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0713485149999999,
"spacegroup": 12
},
{
"id": "jvasp-59498",
"created_at": "2022-09-04T14:37:42.593629Z",
"updated_at": "2022-09-04T14:37:42.593658Z",
"structure_string": "Ca4 Al4 F20\n1.0\n0.000000 5.357112 -0.001749\n9.923655 0.000000 0.000000\n0.000000 -2.494385 -6.922380\nCa Al F\n4 4 20\ndirect\n0.469989 0.980573 0.744591 Ca\n0.530010 0.480573 0.755409 Ca\n0.530010 0.019427 0.255409 Ca\n0.469989 0.519426 0.244591 Ca\n0.105242 0.753346 0.400310 Al\n0.894757 0.253346 0.099690 Al\n0.894757 0.246654 0.599690 Al\n0.105241 0.746654 0.900310 Al\n0.108612 0.106816 0.684870 F\n0.837401 0.640182 0.361137 F\n0.162598 0.140182 0.138864 F\n0.387146 0.872460 0.444763 F\n0.837401 0.859818 0.861137 F\n0.612853 0.372460 0.055237 F\n0.891386 0.606816 0.815131 F\n0.162598 0.359818 0.638864 F\n0.891387 0.893184 0.315131 F\n0.863138 0.288957 0.840939 F\n0.136861 0.711043 0.159061 F\n0.863138 0.211043 0.340939 F\n0.387146 0.627540 0.944763 F\n0.136861 0.788956 0.659061 F\n0.347569 0.882373 0.991824 F\n0.652429 0.382373 0.508177 F\n0.652430 0.117626 0.008176 F\n0.347569 0.617626 0.491824 F\n0.108613 0.393184 0.184870 F\n0.612853 0.127540 0.555237 F\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ca",
"Al",
"F"
],
"chemical_system": "Al-Ca-F",
"density": 2.9245118274158424,
"density_atomic": 0.07607625455972337,
"volume": 368.05176808512186,
"volume_molar": 7.915926979912427,
"formula_full": "Ca4 Al4 F20",
"formula_reduced": "CaAlF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 6.285714285714228e-05,
"spacegroup": 14
},
{
"id": "jvasp-87116",
"created_at": "2022-09-04T14:36:20.297537Z",
"updated_at": "2022-09-04T14:36:20.297560Z",
"structure_string": "Ca2 Al2 F10\n1.0\n5.097780 0.005467 1.853332\n1.122473 4.972670 1.853332\n0.002884 0.002308 7.379521\nCa Al F\n2 2 10\ndirect\n0.455607 0.544393 0.250000 Ca\n0.544391 0.455608 0.750000 Ca\n-0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.798625 0.755854 0.614881 F\n0.244146 0.201375 0.885119 F\n0.201373 0.244147 0.385120 F\n0.755853 0.798627 0.114881 F\n0.939111 0.060889 0.750000 F\n0.060887 0.939112 0.250000 F\n0.729876 0.298454 0.027060 F\n0.701546 0.270125 0.472940 F\n0.270123 0.701547 0.972940 F\n0.298453 0.729876 0.527060 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Al",
"F"
],
"chemical_system": "Al-Ca-F",
"density": 2.8783240739803517,
"density_atomic": 0.07487475786719504,
"volume": 186.9789018193785,
"volume_molar": 8.042951899332268,
"formula_full": "Ca2 Al2 F10",
"formula_reduced": "CaAlF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.0,
"spacegroup": 15
},
{
"id": "jvasp-120195",
"created_at": "2022-09-04T14:38:53.236573Z",
"updated_at": "2022-09-04T14:38:53.236597Z",
"structure_string": "Ca1 Al1 F1\n1.0\n3.392686 -0.000000 -0.000000\n-0.000000 3.392686 -0.000000\n-0.000000 0.000000 7.120021\nCa Al F\n1 1 1\ndirect\n0.000000 0.000000 0.699004 Ca\n0.000000 0.000000 0.260323 Al\n0.000000 0.000000 0.007763 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Al",
"F"
],
"chemical_system": "Al-Ca-F",
"density": 1.7436987036030522,
"density_atomic": 0.03660603130909164,
"volume": 81.9537079742077,
"volume_molar": 16.45122550748711,
"formula_full": "Ca1 Al1 F1",
"formula_reduced": "CaAlF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1206455253333332,
"spacegroup": 99
},
{
"id": "jvasp-120194",
"created_at": "2022-09-04T14:38:52.406027Z",
"updated_at": "2022-09-04T14:38:52.406048Z",
"structure_string": "Ca1 Al1 F1\n1.0\n4.968011 -0.000000 -0.000000\n-2.484006 4.302424 0.000000\n-0.000000 -0.000000 3.406984\nCa Al F\n1 1 1\ndirect\n0.333333 0.666667 0.000000 Ca\n0.000000 0.000000 0.000000 Al\n0.666666 0.333333 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Al",
"F"
],
"chemical_system": "Al-Ca-F",
"density": 1.9623397548624641,
"density_atomic": 0.04119603367091981,
"volume": 72.82254461593212,
"volume_molar": 14.618253805950777,
"formula_full": "Ca1 Al1 F1",
"formula_reduced": "CaAlF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3045088586666666,
"spacegroup": 187
},
{
"id": "jvasp-120193",
"created_at": "2022-09-04T14:38:53.111099Z",
"updated_at": "2022-09-04T14:38:53.111117Z",
"structure_string": "Ca1 Al1 F1\n1.0\n5.764445 3.207549 0.000000\n2.321591 4.933570 0.000000\n0.000000 0.000000 3.410362\nCa Al F\n1 1 1\ndirect\n0.449824 -0.002244 0.000000 Ca\n-0.041220 -0.072243 0.000000 Al\n-0.056816 0.287921 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Al",
"F"
],
"chemical_system": "Al-Ca-F",
"density": 1.9960516203843885,
"density_atomic": 0.041903757776141366,
"volume": 71.59262460485351,
"volume_molar": 14.371362091608908,
"formula_full": "Ca1 Al1 F1",
"formula_reduced": "CaAlF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0614721919999999,
"spacegroup": 25
}
]
}