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=elements&page=3875",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=3873",
"results": [
{
"id": "jvasp-50396",
"created_at": "2022-09-04T14:35:44.645435Z",
"updated_at": "2022-09-04T14:35:44.645466Z",
"structure_string": "Zr4 Bi4 O14\n1.0\n-7.627679 -0.000000 0.000000\n-3.813841 6.605765 0.000000\n-3.813841 -2.201921 -6.227975\nZr Bi O\n4 4 14\ndirect\n0.750000 0.625000 0.874999 Zr\n0.750000 0.625000 0.375000 Zr\n0.250000 0.625000 0.375000 Zr\n0.250000 0.125000 0.375000 Zr\n0.750000 0.125000 0.874999 Bi\n0.250000 0.625000 0.874999 Bi\n0.750000 0.125000 0.375000 Bi\n0.250000 0.125000 0.874999 Bi\n-0.000000 0.708188 0.291812 O\n0.000000 0.291813 0.708187 O\n-0.000000 0.708188 0.708187 O\n0.416376 0.291813 0.291812 O\n0.500000 0.541813 0.041813 O\n0.083625 0.958188 0.458187 O\n0.500000 0.958188 0.458187 O\n0.500000 0.250000 0.749999 O\n0.500000 0.958188 0.041813 O\n-0.000000 0.291813 0.291812 O\n0.916376 0.541813 0.041813 O\n0.583624 0.708188 0.708187 O\n0.500000 0.541813 0.458187 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Zr",
"Bi",
"O"
],
"chemical_system": "Bi-O-Zr",
"density": 7.539515178895373,
"density_atomic": 0.0701068239223479,
"volume": 313.80682748326694,
"volume_molar": 8.589949484333046,
"formula_full": "Zr4 Bi4 O14",
"formula_reduced": "Zr2Bi2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.767255645454545,
"spacegroup": 227
},
{
"id": "jvasp-40836",
"created_at": "2022-09-04T14:37:53.915913Z",
"updated_at": "2022-09-04T14:37:53.915943Z",
"structure_string": "Zr1 Bi1 Rh1\n1.0\n4.061605 0.000000 2.344968\n1.353868 3.829319 2.344968\n0.000000 0.000000 4.689938\nZr Bi Rh\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Zr\n0.000000 0.000000 0.000000 Bi\n0.500001 0.500000 0.500000 Rh\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"Bi",
"Rh"
],
"chemical_system": "Bi-Rh-Zr",
"density": 9.176693540796439,
"density_atomic": 0.04112774722215216,
"volume": 72.94345551667233,
"volume_molar": 14.642525221406643,
"formula_full": "Zr1 Bi1 Rh1",
"formula_reduced": "ZrBiRh",
"formula_anonymous": "ABC",
"energy_above_hull": 2.3908006000000004,
"spacegroup": 216
},
{
"id": "jvasp-12027",
"created_at": "2022-09-04T14:36:49.756174Z",
"updated_at": "2022-09-04T14:36:49.756189Z",
"structure_string": "Zr2 Br2 N2\n1.0\n3.628891 0.000000 0.000000\n0.000000 4.131749 0.000000\n0.000000 0.000000 8.725349\nZr Br N\n2 2 2\ndirect\n0.000000 0.500000 0.101852 Zr\n0.500000 0.000000 0.898149 Zr\n0.000000 0.000000 0.658692 Br\n0.500000 0.500000 0.341308 Br\n0.000000 0.000000 0.032722 N\n0.500000 0.500000 0.967278 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Br",
"N"
],
"chemical_system": "Br-N-Zr",
"density": 4.699766253191314,
"density_atomic": 0.04586280247667782,
"volume": 130.82497527383163,
"volume_molar": 13.13077360037556,
"formula_full": "Zr2 Br2 N2",
"formula_reduced": "ZrBrN",
"formula_anonymous": "ABC",
"energy_above_hull": 2.1862739516666663,
"spacegroup": 59
},
{
"id": "jvasp-12014",
"created_at": "2022-09-04T14:35:41.902683Z",
"updated_at": "2022-09-04T14:35:41.902709Z",
"structure_string": "Zr2 Br2 N2\n1.0\n3.599009 -0.000190 9.371283\n1.737480 3.151828 9.371283\n-0.000323 -0.000190 10.038616\nZr Br N\n2 2 2\ndirect\n0.122225 0.122225 0.122224 Zr\n0.877776 0.877776 0.877774 Zr\n0.388251 0.388251 0.388250 Br\n0.611750 0.611749 0.611748 Br\n0.196226 0.196226 0.196226 N\n0.803774 0.803774 0.803773 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Br",
"N"
],
"chemical_system": "Br-N-Zr",
"density": 5.398659942044225,
"density_atomic": 0.05268297639113421,
"volume": 113.88878174714735,
"volume_molar": 11.430904577770669,
"formula_full": "Zr2 Br2 N2",
"formula_reduced": "ZrBrN",
"formula_anonymous": "ABC",
"energy_above_hull": 2.173610618333333,
"spacegroup": 166
},
{
"id": "jvasp-93364",
"created_at": "2022-09-04T14:36:34.127891Z",
"updated_at": "2022-09-04T14:36:34.127917Z",
"structure_string": "Zr2 Br2 N2\n1.0\n-1.830482 -3.170487 -0.000000\n1.830482 -3.170487 -0.000000\n-0.000000 -2.113659 9.812740\nZr Br N\n2 2 2\ndirect\n0.122223 0.122223 0.633333 Zr\n0.877778 0.877778 0.366667 Zr\n0.388244 0.388244 0.835270 Br\n0.611757 0.611757 0.164730 Br\n0.196228 0.196228 0.411315 N\n0.803773 0.803773 0.588685 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Br",
"N"
],
"chemical_system": "Br-N-Zr",
"density": 5.398277339130432,
"density_atomic": 0.052679242749732284,
"volume": 113.89685361470941,
"volume_molar": 11.431714743148248,
"formula_full": "Zr2 Br2 N2",
"formula_reduced": "ZrBrN",
"formula_anonymous": "ABC",
"energy_above_hull": 2.1735772849999995,
"spacegroup": 166
},
{
"id": "jvasp-103577",
"created_at": "2022-09-04T14:36:45.478283Z",
"updated_at": "2022-09-04T14:36:45.478309Z",
"structure_string": "Zr2 Br2 N2\n1.0\n3.485205 0.000000 0.000000\n-1.742603 3.018276 0.000000\n-0.000000 -0.000000 11.677541\nZr Br N\n2 2 2\ndirect\n0.000000 0.000000 0.814784 Zr\n0.000000 0.000000 0.185216 Zr\n0.666668 0.333334 0.359008 Br\n0.333335 0.666668 0.640992 Br\n0.666668 0.333334 0.865126 N\n0.333335 0.666668 0.134874 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Br",
"N"
],
"chemical_system": "Br-N-Zr",
"density": 5.005278419493007,
"density_atomic": 0.04884415162947922,
"volume": 122.83968090007284,
"volume_molar": 12.329297488228704,
"formula_full": "Zr2 Br2 N2",
"formula_reduced": "ZrBrN",
"formula_anonymous": "ABC",
"energy_above_hull": 2.263133951666666,
"spacegroup": 164
},
{
"id": "jvasp-117894",
"created_at": "2022-09-04T14:38:48.732687Z",
"updated_at": "2022-09-04T14:38:48.732714Z",
"structure_string": "Zr1 C1 Cl1\n1.0\n4.422357 -0.000000 0.000000\n-2.211178 3.829873 -0.000000\n0.000000 -0.000000 3.173686\nZr C Cl\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Zr\n0.000000 0.000000 0.000000 C\n0.333333 0.666665 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"C",
"Cl"
],
"chemical_system": "C-Cl-Zr",
"density": 4.28434973904649,
"density_atomic": 0.05581091301360574,
"volume": 53.752928200057426,
"volume_molar": 10.790256662763975,
"formula_full": "Zr1 C1 Cl1",
"formula_reduced": "ZrCCl",
"formula_anonymous": "ABC",
"energy_above_hull": 3.394246189166666,
"spacegroup": 187
},
{
"id": "jvasp-29258",
"created_at": "2022-09-04T14:37:39.362825Z",
"updated_at": "2022-09-04T14:37:39.362842Z",
"structure_string": "Zr12 C2 Cl28\n1.0\n9.446717 0.003360 -0.000000\n-1.052497 9.387903 -0.000000\n-0.000000 0.000000 11.527650\nZr C Cl\n12 2 28\ndirect\n0.453899 0.687846 0.882609 Zr\n0.187846 0.953899 0.617391 Zr\n0.312153 0.546100 0.117391 Zr\n0.546100 0.312153 0.117391 Zr\n0.953900 0.187847 0.617391 Zr\n0.812154 0.046100 0.382609 Zr\n0.687847 0.453899 0.882609 Zr\n0.351243 0.351243 0.892584 Zr\n0.148757 0.148757 0.392584 Zr\n0.851243 0.851243 0.607416 Zr\n0.648757 0.648757 0.107416 Zr\n0.046100 0.812153 0.382609 Zr\n0.500000 0.500000 0.000000 C\n0.000000 0.000000 0.500000 C\n0.286234 0.536164 0.749309 Cl\n0.746461 0.253539 0.500000 Cl\n0.753540 0.246460 0.000000 Cl\n0.253539 0.746460 0.500000 Cl\n0.246460 0.753539 0.000000 Cl\n0.842989 0.842988 0.235008 Cl\n0.657011 0.657011 0.735008 Cl\n0.342989 0.342989 0.264992 Cl\n0.157011 0.157011 0.764992 Cl\n0.093597 0.593597 0.250000 Cl\n0.906403 0.406403 0.750000 Cl\n0.593597 0.093597 0.250000 Cl\n0.213766 0.963835 0.249309 Cl\n0.129000 0.379287 0.008724 Cl\n0.879287 0.629000 0.491276 Cl\n0.620713 0.871000 0.991276 Cl\n0.871000 0.620713 0.991276 Cl\n0.629000 0.879287 0.491276 Cl\n0.120713 0.371000 0.508724 Cl\n0.406403 0.906403 0.750000 Cl\n0.963836 0.213766 0.249309 Cl\n0.536164 0.286234 0.749309 Cl\n0.713766 0.463836 0.250691 Cl\n0.786234 0.036164 0.750691 Cl\n0.036164 0.786234 0.750691 Cl\n0.463836 0.713766 0.250691 Cl\n0.371000 0.120713 0.508724 Cl\n0.379287 0.129000 0.008724 Cl\n",
"nsites": 42,
"nelements": 3,
"elements": [
"Zr",
"C",
"Cl"
],
"chemical_system": "C-Cl-Zr",
"density": 3.429340896991935,
"density_atomic": 0.04108106482285929,
"volume": 1022.3688256646498,
"volume_molar": 14.659164230448622,
"formula_full": "Zr12 C2 Cl28",
"formula_reduced": "Zr6CCl14",
"formula_anonymous": "AB6C14",
"energy_above_hull": 1.9212835211904769,
"spacegroup": 64
},
{
"id": "jvasp-117893",
"created_at": "2022-09-04T14:38:53.616336Z",
"updated_at": "2022-09-04T14:38:53.616363Z",
"structure_string": "Zr1 C1 Cl2\n1.0\n3.333732 0.000000 -0.000000\n0.000000 3.333732 0.000000\n-0.000000 0.000000 7.217766\nZr C Cl\n1 1 2\ndirect\n0.500000 0.500000 0.756680 Zr\n0.000000 0.000000 0.720445 C\n0.000000 0.000000 0.454977 Cl\n0.500000 0.500000 0.077899 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"C",
"Cl"
],
"chemical_system": "C-Cl-Zr",
"density": 3.6048335605821116,
"density_atomic": 0.049865000257147386,
"volume": 80.21658436523644,
"volume_molar": 12.076889058346728,
"formula_full": "Zr1 C1 Cl2",
"formula_reduced": "ZrCCl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.46918315875,
"spacegroup": 99
},
{
"id": "jvasp-12901",
"created_at": "2022-09-04T14:38:14.287566Z",
"updated_at": "2022-09-04T14:38:14.287591Z",
"structure_string": "Zr6 C1 I12\n1.0\n8.687586 -0.007760 -2.684217\n-3.636678 7.889793 -2.684208\n-0.004969 -0.007767 9.092807\nZr C I\n6 1 12\ndirect\n0.971961 0.910534 0.727401 Zr\n0.910535 0.727401 0.971960 Zr\n0.727401 0.971960 0.910534 Zr\n0.028039 0.089465 0.272598 Zr\n0.089465 0.272598 0.028039 Zr\n0.272598 0.028039 0.089465 Zr\n0.000000 0.000000 0.000000 C\n0.079742 0.229916 0.688755 I\n0.311244 0.920257 0.770084 I\n0.770084 0.311244 0.920257 I\n0.920258 0.770084 0.311244 I\n0.451363 0.376114 0.147665 I\n0.548636 0.623886 0.852335 I\n0.852335 0.548636 0.623886 I\n0.229916 0.688755 0.079742 I\n0.376114 0.147665 0.451363 I\n0.147665 0.451363 0.376114 I\n0.623886 0.852334 0.548636 I\n0.688755 0.079742 0.229916 I\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Zr",
"C",
"I"
],
"chemical_system": "C-I-Zr",
"density": 5.553183748382991,
"density_atomic": 0.030515631783455895,
"volume": 622.6317100306894,
"volume_molar": 19.734609470759555,
"formula_full": "Zr6 C1 I12",
"formula_reduced": "Zr6CI12",
"formula_anonymous": "AB6C12",
"energy_above_hull": 1.8099232789473687,
"spacegroup": 148
},
{
"id": "jvasp-102648",
"created_at": "2022-09-04T14:37:07.289646Z",
"updated_at": "2022-09-04T14:37:07.289666Z",
"structure_string": "Zr2 C1 N1\n1.0\n3.153401 0.000632 4.755564\n1.433915 2.808527 4.755564\n0.001032 0.000632 5.706078\nZr C N\n2 1 1\ndirect\n0.250822 0.250822 0.250822 Zr\n0.749179 0.749178 0.749177 Zr\n0.000000 0.000000 0.000000 C\n0.500000 0.500000 0.499999 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"C",
"N"
],
"chemical_system": "C-N-Zr",
"density": 6.85322358828999,
"density_atomic": 0.0791902677810265,
"volume": 50.51125740678926,
"volume_molar": 7.604647551706939,
"formula_full": "Zr2 C1 N1",
"formula_reduced": "Zr2CN",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.566625562499999,
"spacegroup": 166
},
{
"id": "jvasp-15505",
"created_at": "2022-09-04T14:36:38.286407Z",
"updated_at": "2022-09-04T14:36:38.286426Z",
"structure_string": "Zr4 C2 S2\n1.0\n1.715805 -2.971862 -0.000000\n1.715805 2.971862 0.000000\n0.000000 -0.000000 12.231342\nZr C S\n4 2 2\ndirect\n0.333332 0.666666 0.399266 Zr\n0.666666 0.333332 0.899266 Zr\n0.666666 0.333332 0.600734 Zr\n0.333332 0.666666 0.100734 Zr\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n0.666666 0.333332 0.250000 S\n0.333332 0.666666 0.750000 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"C",
"S"
],
"chemical_system": "C-S-Zr",
"density": 6.031038024456555,
"density_atomic": 0.0641341456540592,
"volume": 124.73854478630078,
"volume_molar": 9.389913436258341,
"formula_full": "Zr4 C2 S2",
"formula_reduced": "Zr2CS",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.75885225,
"spacegroup": 194
}
]
}