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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4130",
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"results": [
{
"id": "jvasp-119137",
"created_at": "2022-09-04T14:38:50.250468Z",
"updated_at": "2022-09-04T14:38:50.250492Z",
"structure_string": "Sr2 Y2 Ga6 O14\n1.0\n7.973141 0.010787 0.000000\n-0.218658 7.970149 0.000000\n-0.000000 -0.000000 5.270879\nSr Y Ga O\n2 2 6 14\ndirect\n0.161836 0.838164 0.493082 Sr\n0.838164 0.161837 0.493082 Sr\n0.658994 0.658994 0.516600 Y\n0.341006 0.341006 0.516600 Y\n0.360075 0.639925 0.035157 Ga\n0.848636 0.848636 0.967084 Ga\n0.639924 0.360076 0.035157 Ga\n0.151364 0.151364 0.967084 Ga\n0.500000 0.000000 0.991563 Ga\n-0.000000 0.500000 0.991563 Ga\n0.836041 0.418408 0.207944 O\n0.345775 0.102005 0.778477 O\n0.102005 0.345775 0.778477 O\n0.581592 0.163959 0.207944 O\n0.897995 0.654225 0.778477 O\n0.418408 0.836042 0.207944 O\n0.500000 0.500000 0.221869 O\n0.623798 0.376202 0.689900 O\n0.839569 0.839570 0.309813 O\n0.376202 0.623798 0.689900 O\n0.654225 0.897996 0.778477 O\n0.000000 0.000000 0.826055 O\n0.160430 0.160431 0.309813 O\n0.163959 0.581592 0.207944 O\n",
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{
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"created_at": "2022-09-04T14:36:08.457850Z",
"updated_at": "2022-09-04T14:36:08.457878Z",
"structure_string": "Nb4 Sb4 O16\n1.0\n4.990959 0.000000 0.000000\n0.000000 5.627729 0.000000\n0.000000 0.000000 11.927566\nNb Sb O\n4 4 16\ndirect\n0.012787 0.894853 0.001508 Nb\n0.987214 0.105147 0.501508 Nb\n0.487213 0.394853 0.001508 Nb\n0.512787 0.605147 0.501508 Nb\n0.954623 0.537023 0.754147 Sb\n0.545377 0.037023 0.754147 Sb\n0.454623 0.962977 0.254147 Sb\n0.045377 0.462977 0.254147 Sb\n0.696482 0.926515 0.437242 O\n0.303518 0.073485 0.937242 O\n0.803518 0.426515 0.437242 O\n0.196482 0.573486 0.937242 O\n0.213453 0.855688 0.543302 O\n0.834626 0.181103 0.649907 O\n0.165374 0.818898 0.149906 O\n0.835589 0.853646 0.838995 O\n0.164411 0.146354 0.338995 O\n0.664411 0.353646 0.838995 O\n0.335589 0.646354 0.338995 O\n0.713453 0.644313 0.043302 O\n0.286547 0.355687 0.543302 O\n0.786547 0.144313 0.043302 O\n0.334626 0.318898 0.149906 O\n0.665374 0.681103 0.649907 O\n",
"nsites": 24,
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"volume": 335.01866727689935,
"volume_molar": 8.406373214871223,
"formula_full": "Nb4 Sb4 O16",
"formula_reduced": "NbSbO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.723814916666667,
"spacegroup": 33
},
{
"id": "jvasp-35948",
"created_at": "2022-09-04T14:38:34.066712Z",
"updated_at": "2022-09-04T14:38:34.066763Z",
"structure_string": "Sc4 Zn2 Se8\n1.0\n-5.512592 -5.512592 -0.000000\n-5.512592 -0.000000 -5.512592\n0.000000 -5.512592 -5.512592\nSc Zn Se\n4 2 8\ndirect\n0.000000 0.000000 0.500000 Sc\n0.000000 0.500000 0.000000 Sc\n0.500000 0.000000 0.000000 Sc\n0.000000 0.000000 0.000000 Sc\n0.375000 0.375000 0.375000 Zn\n0.625000 0.625000 0.625000 Zn\n0.245044 0.245044 0.764869 Se\n0.245044 0.764869 0.245044 Se\n0.764869 0.245044 0.245044 Se\n0.245044 0.245044 0.245044 Se\n0.754956 0.754956 0.235131 Se\n0.754956 0.235131 0.754956 Se\n0.235131 0.754956 0.754956 Se\n0.754956 0.754956 0.754956 Se\n",
"nsites": 14,
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"Zn",
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],
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"density": 4.670363876865492,
"density_atomic": 0.041785970035649725,
"volume": 335.0406844224483,
"volume_molar": 14.411872585133736,
"formula_full": "Sc4 Zn2 Se8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 227
},
{
"id": "jvasp-102059",
"created_at": "2022-09-04T14:36:40.697052Z",
"updated_at": "2022-09-04T14:36:40.697070Z",
"structure_string": "K2 Li1 Ce1 Br6\n1.0\n6.751580 -0.000000 3.898027\n2.250527 6.365451 3.898027\n-0.000000 0.000000 7.796053\nK Li Ce Br\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ce\n0.259525 0.259525 0.740475 Br\n0.259525 0.740475 0.740475 Br\n0.740476 0.740475 0.259525 Br\n0.259525 0.740475 0.259525 Br\n0.740475 0.259525 0.740475 Br\n0.740475 0.259525 0.259525 Br\n",
"nsites": 10,
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"volume": 335.04981333461177,
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"formula_full": "K2 Li1 Ce1 Br6",
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"spacegroup": 225
},
{
"id": "jvasp-51899",
"created_at": "2022-09-04T14:37:06.195774Z",
"updated_at": "2022-09-04T14:37:06.195812Z",
"structure_string": "Dy6 B2 W2 O18\n1.0\n4.247016 -7.356047 -0.000000\n4.247016 7.356047 0.000000\n0.000000 -0.000000 5.362425\nDy B W O\n6 2 2 18\ndirect\n0.641863 0.916476 0.700354 Dy\n0.358138 0.083525 0.200354 Dy\n0.916475 0.274613 0.200354 Dy\n0.083525 0.725388 0.700354 Dy\n0.725388 0.641863 0.200354 Dy\n0.274613 0.358138 0.700354 Dy\n0.000000 0.000000 0.865992 B\n0.000000 0.000000 0.365992 B\n0.333333 0.666667 0.243638 W\n0.666667 0.333333 0.743639 W\n0.944816 0.127021 0.856416 O\n0.486283 0.618103 0.479457 O\n0.381898 0.868182 0.479457 O\n0.868182 0.486283 0.979458 O\n0.513718 0.381898 0.979458 O\n0.817795 0.944816 0.356416 O\n0.803010 0.535708 0.534432 O\n0.055185 0.872980 0.356416 O\n0.127021 0.182206 0.356416 O\n0.618103 0.131819 0.979458 O\n0.535708 0.732698 0.034432 O\n0.872980 0.817795 0.856416 O\n0.182206 0.055184 0.856416 O\n0.196991 0.464293 0.034432 O\n0.732698 0.196991 0.534432 O\n0.267303 0.803010 0.034432 O\n0.464293 0.267303 0.534432 O\n0.131819 0.513718 0.479457 O\n",
"nsites": 28,
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"elements": [
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"volume": 335.0577126167944,
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"formula_full": "Dy6 B2 W2 O18",
"formula_reduced": "Dy3BWO9",
"formula_anonymous": "ABC3D9",
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"spacegroup": 173
},
{
"id": "jvasp-110679",
"created_at": "2022-09-04T14:38:39.236579Z",
"updated_at": "2022-09-04T14:38:39.236601Z",
"structure_string": "Rb2 Nd1 Cu1 Br6\n1.0\n6.752430 -0.000000 3.898517\n2.250810 6.366252 3.898517\n-0.000000 -0.000000 7.797035\nRb Nd Cu Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Cu\n0.759572 0.240428 0.240429 Br\n0.240429 0.240428 0.759571 Br\n0.240429 0.759571 0.759571 Br\n0.240429 0.759571 0.240429 Br\n0.759572 0.240428 0.759571 Br\n0.759572 0.759571 0.240429 Br\n",
"nsites": 10,
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"elements": [
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"Nd",
"Cu",
"Br"
],
"chemical_system": "Br-Cu-Nd-Rb",
"density": 4.2514560086490505,
"density_atomic": 0.029835038317278018,
"volume": 335.17637529591565,
"volume_molar": 20.18479311458591,
"formula_full": "Rb2 Nd1 Cu1 Br6",
"formula_reduced": "Rb2NdCuBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-12427",
"created_at": "2022-09-04T14:37:07.175831Z",
"updated_at": "2022-09-04T14:37:07.175865Z",
"structure_string": "In4 Hg2 S8\n1.0\n6.752443 -0.000000 3.898525\n2.250815 6.366265 3.898525\n-0.000000 0.000000 7.797050\nIn Hg S\n4 2 8\ndirect\n0.500000 0.000000 0.500000 In\n-0.000000 0.500000 0.500000 In\n0.500000 0.500000 -0.000000 In\n0.500000 0.500000 0.500000 In\n0.125000 0.125000 0.125000 Hg\n0.874999 0.874999 0.875000 Hg\n0.739787 0.739787 0.739787 S\n0.260212 0.260212 0.719363 S\n0.260212 0.719362 0.260213 S\n0.719363 0.260212 0.260212 S\n0.739787 0.280637 0.739787 S\n0.280637 0.739787 0.739787 S\n0.260212 0.260212 0.260213 S\n0.739787 0.739787 0.280637 S\n",
"nsites": 14,
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"elements": [
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],
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"density": 5.5336976363899195,
"density_atomic": 0.04176880758120166,
"volume": 335.1783498435516,
"volume_molar": 14.417794303302797,
"formula_full": "In4 Hg2 S8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 227
},
{
"id": "jvasp-120457",
"created_at": "2022-09-04T14:38:50.798397Z",
"updated_at": "2022-09-04T14:38:50.798422Z",
"structure_string": "Na6 In2 P4 O16\n1.0\n5.494344 -0.000000 0.000000\n0.000000 7.029786 0.003408\n0.000000 0.002175 8.679242\nNa In P O\n6 2 4 16\ndirect\n0.750000 0.500013 0.749965 Na\n0.250000 0.499988 0.250035 Na\n0.750000 0.713777 0.439543 Na\n0.250000 0.286224 0.560457 Na\n0.750000 0.286327 0.060467 Na\n0.250000 0.713674 0.939533 Na\n0.750000 0.000011 0.750026 In\n0.250000 -0.000011 0.249974 In\n0.250000 0.223092 0.902729 P\n0.750000 0.776909 0.097271 P\n0.250000 0.776887 0.597281 P\n0.750000 0.223114 0.402719 P\n0.480149 0.224241 0.794096 O\n0.980148 0.775761 0.205904 O\n0.519851 0.775761 0.205904 O\n0.019851 0.224241 0.794096 O\n0.250000 0.040228 0.002434 O\n0.750000 0.959773 0.997567 O\n0.480153 0.775792 0.705910 O\n0.250000 0.959694 0.497514 O\n0.519846 0.224209 0.294090 O\n0.019847 0.775792 0.705910 O\n0.250000 0.599039 0.498363 O\n0.750000 0.400962 0.501637 O\n0.750000 0.599120 0.998284 O\n0.750000 0.040307 0.502487 O\n0.980153 0.224209 0.294090 O\n0.250000 0.400882 0.001716 O\n",
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"elements": [
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],
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"density_atomic": 0.08352535588971984,
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"formula_full": "Na6 In2 P4 O16",
"formula_reduced": "Na3In(PO4)2",
"formula_anonymous": "AB2C3D8",
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"spacegroup": 12
},
{
"id": "jvasp-21926",
"created_at": "2022-09-04T14:38:14.580491Z",
"updated_at": "2022-09-04T14:38:14.580518Z",
"structure_string": "Sc2 Si14 Ir6\n1.0\n6.686069 -0.004440 4.418430\n2.373889 6.250455 4.418430\n-0.006439 -0.004440 8.014112\nSc Si Ir\n2 14 6\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Sc\n0.750000 0.750001 0.750000 Si\n0.934145 0.149963 0.327216 Si\n0.149963 0.327217 0.934145 Si\n0.327216 0.934146 0.149962 Si\n0.350037 0.565855 0.172783 Si\n0.565855 0.172784 0.350037 Si\n0.172783 0.350038 0.565854 Si\n0.649963 0.434146 0.827216 Si\n0.827216 0.649963 0.434145 Si\n0.672784 0.065855 0.850037 Si\n0.850037 0.672784 0.065854 Si\n0.065854 0.850038 0.672783 Si\n0.250000 0.250000 0.250000 Si\n0.434145 0.827217 0.649962 Si\n0.750000 0.427162 0.072838 Ir\n0.427162 0.072838 0.750000 Ir\n0.927162 0.250000 0.572838 Ir\n0.250000 0.572839 0.927161 Ir\n0.572838 0.927162 0.250000 Ir\n0.072838 0.750001 0.427161 Ir\n",
"nsites": 22,
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"elements": [
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],
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"density": 8.105014450213286,
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"volume": 335.2645598537569,
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},
{
"id": "jvasp-25813",
"created_at": "2022-09-04T14:37:43.827516Z",
"updated_at": "2022-09-04T14:37:43.827543Z",
"structure_string": "Li4 Nd4 Ge4 O16\n1.0\n5.144741 0.000000 0.000000\n-0.000000 5.423505 0.000000\n0.000000 0.000000 12.015636\nLi Nd Ge O\n4 4 4 16\ndirect\n0.500000 0.250000 0.734872 Li\n0.500000 0.750001 0.265128 Li\n0.000000 0.750001 0.765129 Li\n0.000000 0.250000 0.234872 Li\n0.500000 0.250000 0.386505 Nd\n0.500000 0.750001 0.613495 Nd\n0.000000 0.250000 0.886505 Nd\n0.000000 0.750001 0.113495 Nd\n0.000000 0.250000 0.609861 Ge\n0.000000 0.750001 0.390139 Ge\n0.500000 0.250000 0.109861 Ge\n0.500000 0.750001 0.890139 Ge\n0.750651 0.416931 0.042145 O\n0.750651 0.916931 0.957855 O\n0.177682 0.953561 0.296938 O\n0.249349 0.083070 0.042145 O\n0.250651 0.083070 0.542145 O\n0.822318 0.546440 0.296938 O\n0.749349 0.916931 0.457855 O\n0.250651 0.583070 0.457855 O\n0.322318 0.453561 0.203063 O\n0.822318 0.046440 0.703063 O\n0.677682 0.046440 0.203063 O\n0.677682 0.546440 0.796938 O\n0.749349 0.416931 0.542145 O\n0.249349 0.583070 0.957855 O\n0.322318 0.953561 0.796938 O\n0.177682 0.453561 0.703063 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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],
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"density": 5.7021762724064535,
"density_atomic": 0.08351561949992979,
"volume": 335.2666263826677,
"volume_molar": 7.21079577216698,
"formula_full": "Li4 Nd4 Ge4 O16",
"formula_reduced": "LiNdGeO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 60
},
{
"id": "jvasp-109245",
"created_at": "2022-09-04T14:38:17.798272Z",
"updated_at": "2022-09-04T14:38:17.798299Z",
"structure_string": "Rb2 Hg1 Bi1 Cl6\n1.0\n6.753070 -0.000000 3.898887\n2.251023 6.366855 3.898887\n-0.000000 -0.000000 7.797773\nRb Hg Bi Cl\n2 1 1 6\ndirect\n0.749999 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Bi\n0.754469 0.245531 0.245531 Cl\n0.245531 0.245531 0.754469 Cl\n0.245530 0.754470 0.754469 Cl\n0.245530 0.754470 0.245531 Cl\n0.754469 0.245531 0.754469 Cl\n0.754468 0.754470 0.245532 Cl\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Bi-Cl-Hg-Rb",
"density": 3.928693462954242,
"density_atomic": 0.0298265622888092,
"volume": 335.271624774269,
"volume_molar": 20.190529172245512,
"formula_full": "Rb2 Hg1 Bi1 Cl6",
"formula_reduced": "Rb2HgBiCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-56857",
"created_at": "2022-09-04T14:37:58.391132Z",
"updated_at": "2022-09-04T14:37:58.391154Z",
"structure_string": "Rb2 Cu4 Br6\n1.0\n5.275352 0.000000 0.000000\n-0.000000 7.868289 -1.798735\n-0.000000 0.030617 8.071213\nRb Cu Br\n2 4 6\ndirect\n0.750000 0.701556 0.298445 Rb\n0.250000 0.298445 0.701556 Rb\n0.000000 0.822133 0.822133 Cu\n0.500000 0.822133 0.822133 Cu\n0.500000 0.177868 0.177868 Cu\n0.000000 0.177868 0.177868 Cu\n0.750000 0.573344 0.839556 Br\n0.750000 0.109393 0.890607 Br\n0.250000 0.426656 0.160445 Br\n0.750000 0.160445 0.426656 Br\n0.250000 0.890608 0.109393 Br\n0.250000 0.839556 0.573344 Br\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Br-Cu-Rb",
"density": 4.479521218590352,
"density_atomic": 0.03578773736290469,
"volume": 335.31038518345787,
"volume_molar": 16.82738614887168,
"formula_full": "Rb2 Cu4 Br6",
"formula_reduced": "RbCu2Br3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0,
"spacegroup": 63
}
]
}