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=101",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=99",
"results": [
{
"id": "jvasp-29401",
"created_at": "2022-09-04T14:37:58.244342Z",
"updated_at": "2022-09-04T14:37:58.244359Z",
"structure_string": "Al2 H6 O6\n1.0\n4.949894 -0.014454 -0.751816\n-2.790081 3.976574 -1.541081\n0.127782 -0.208857 5.355357\nAl H O\n2 6 6\ndirect\n0.169234 0.335488 0.002736 Al\n0.830765 0.664511 0.997264 Al\n0.562252 0.876166 0.792359 H\n0.090849 0.665239 0.426147 H\n0.437747 0.123833 0.207640 H\n0.909150 0.334760 0.573852 H\n0.670830 0.792460 0.425732 H\n0.329169 0.207539 0.574267 H\n0.240064 0.120023 0.212209 O\n0.037613 0.503283 0.776359 O\n0.962386 0.496716 0.223641 O\n0.400389 0.239768 0.770723 O\n0.759935 0.879976 0.787791 O\n0.599610 0.760232 0.229277 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"H",
"O"
],
"chemical_system": "Al-H-O",
"density": 2.5017372843218455,
"density_atomic": 0.13519985552496194,
"volume": 103.55040651219616,
"volume_molar": 4.454250884083328,
"formula_full": "Al2 H6 O6",
"formula_reduced": "Al(HO)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.4491733285714288,
"spacegroup": 2
},
{
"id": "jvasp-37958",
"created_at": "2022-09-04T14:37:59.827069Z",
"updated_at": "2022-09-04T14:37:59.827093Z",
"structure_string": "Al4 H12 O12\n1.0\n5.083121 0.000000 0.000000\n0.000000 5.135268 0.000000\n0.000000 0.000000 7.267490\nAl H O\n4 12 12\ndirect\n0.247884 -0.000207 0.499558 Al\n0.252116 0.000207 0.999558 Al\n0.747884 0.500207 0.500442 Al\n0.752116 0.499793 0.000442 Al\n0.965335 0.705541 0.747101 H\n0.918739 0.832687 0.202816 H\n0.715123 0.039654 0.979109 H\n0.581261 0.167314 0.702816 H\n0.534665 0.294460 0.247101 H\n0.784877 0.960347 0.479109 H\n0.418739 0.667314 0.797184 H\n0.284877 0.539654 0.520891 H\n0.215123 0.460346 0.020891 H\n0.081261 0.332687 0.297184 H\n0.034665 0.205540 0.752899 H\n0.465335 0.794460 0.252899 H\n0.868297 0.538473 0.749960 O\n0.631702 0.461528 0.249960 O\n0.585483 0.177404 0.941091 O\n0.572781 0.180938 0.565010 O\n0.427219 0.680938 0.934990 O\n0.131702 0.038472 0.750040 O\n0.368298 0.961528 0.250040 O\n0.085483 0.322596 0.058909 O\n0.072781 0.319062 0.434990 O\n0.914517 0.822596 0.441091 O\n0.414517 0.677405 0.558910 O\n0.927218 0.819062 0.065010 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Al",
"H",
"O"
],
"chemical_system": "Al-H-O",
"density": 2.731149669931186,
"density_atomic": 0.1475978485454111,
"volume": 189.70466220166685,
"volume_molar": 4.080100637881032,
"formula_full": "Al4 H12 O12",
"formula_reduced": "Al(HO)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.4468447571428573,
"spacegroup": 19
},
{
"id": "jvasp-29793",
"created_at": "2022-09-04T14:37:12.042571Z",
"updated_at": "2022-09-04T14:37:12.042596Z",
"structure_string": "Al2 H6 O6\n1.0\n4.755389 0.079707 1.186641\n2.084778 4.343468 2.021993\n-0.294683 0.463509 5.243466\nAl H O\n2 6 6\ndirect\n0.657721 0.679140 0.000942 Al\n0.342279 0.320862 -0.000943 Al\n0.617678 0.176335 0.579422 H\n0.382323 0.823666 0.420578 H\n-0.053651 0.379125 0.689676 H\n0.053652 0.620876 0.310324 H\n0.131306 0.897982 0.771107 H\n0.868695 0.102020 0.228892 H\n0.640448 0.095107 0.788365 O\n0.359553 0.904895 0.211634 O\n-0.018931 0.491530 0.777035 O\n0.018931 0.508470 0.222964 O\n0.350326 0.732258 0.780653 O\n0.649675 0.267744 0.219346 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"H",
"O"
],
"chemical_system": "Al-H-O",
"density": 2.4533424633346943,
"density_atomic": 0.1325844838603897,
"volume": 105.59304974737373,
"volume_molar": 4.542115777545479,
"formula_full": "Al2 H6 O6",
"formula_reduced": "Al(HO)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.448930471428572,
"spacegroup": 2
},
{
"id": "jvasp-29483",
"created_at": "2022-09-04T14:38:15.016412Z",
"updated_at": "2022-09-04T14:38:15.016430Z",
"structure_string": "Al4 H12 O12\n1.0\n4.750592 0.613161 0.000000\n0.628651 5.049414 0.000000\n0.000000 0.000000 8.706833\nAl H O\n4 12 12\ndirect\n0.029016 0.954581 0.666005 Al\n0.970983 0.545418 0.166005 Al\n0.970983 0.045418 0.333995 Al\n0.029016 0.454582 0.833995 Al\n0.214207 0.624737 0.458535 H\n0.394635 0.726858 0.883422 H\n0.605364 0.773141 0.383422 H\n0.388724 0.271527 0.318996 H\n0.611275 0.728472 0.681004 H\n0.388724 0.771527 0.181004 H\n0.214207 0.124738 0.041465 H\n0.785793 0.375262 0.541464 H\n0.605364 0.273141 0.116577 H\n0.785793 0.875262 0.958535 H\n0.394635 0.226859 0.616577 H\n0.611275 0.228472 0.818996 H\n0.261753 0.697946 0.802576 O\n0.821800 0.177137 0.830641 O\n0.773760 0.688029 0.981544 O\n0.178199 0.322863 0.330641 O\n0.738247 0.802053 0.302576 O\n0.738247 0.302053 0.197424 O\n0.226240 0.311970 0.018455 O\n0.226240 0.811969 0.481545 O\n0.178199 0.822862 0.169359 O\n0.261753 0.197946 0.697424 O\n0.821800 0.677137 0.669359 O\n0.773760 0.188030 0.518455 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Al",
"H",
"O"
],
"chemical_system": "Al-H-O",
"density": 2.5212159206521307,
"density_atomic": 0.1362525275358009,
"volume": 205.5007749683241,
"volume_molar": 4.4198378326726155,
"formula_full": "Al4 H12 O12",
"formula_reduced": "Al(HO)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.448797614285714,
"spacegroup": 14
},
{
"id": "jvasp-4219",
"created_at": "2022-09-04T14:37:42.398033Z",
"updated_at": "2022-09-04T14:37:42.398050Z",
"structure_string": "Al4 I12\n1.0\n0.000000 9.610161 -0.083708\n6.036528 0.000000 0.000000\n0.000000 -3.759411 -11.304149\nAl I\n4 12\ndirect\n0.196664 0.001485 0.048784 Al\n0.803336 0.501485 0.451216 Al\n0.803336 0.998515 0.951216 Al\n0.196664 0.498515 0.548784 Al\n0.331992 0.748953 0.211820 I\n0.668008 0.248952 0.288180 I\n0.668008 0.251048 0.788180 I\n0.331992 0.751048 0.711820 I\n0.330212 0.255362 0.951962 I\n0.669788 0.755362 0.548038 I\n0.669788 0.744638 0.048038 I\n0.330212 0.244638 0.451962 I\n0.000689 0.768649 0.881097 I\n0.999311 0.268648 0.618903 I\n0.999311 0.231352 0.118903 I\n0.000689 0.731352 0.381097 I\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Al",
"I"
],
"chemical_system": "Al-I",
"density": 4.11748872185753,
"density_atomic": 0.02432808819874354,
"volume": 657.676010925772,
"volume_molar": 24.75385945168935,
"formula_full": "Al4 I12",
"formula_reduced": "AlI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.01174290625,
"spacegroup": 14
},
{
"id": "jvasp-13789",
"created_at": "2022-09-04T14:38:07.966268Z",
"updated_at": "2022-09-04T14:38:07.966300Z",
"structure_string": "Al2 I2 Cl12\n1.0\n0.000000 6.078548 -0.047490\n10.873169 0.000000 0.000000\n0.000000 -0.997802 -6.925036\nAl I Cl\n2 2 12\ndirect\n0.412328 0.089402 0.477007 Al\n0.587672 0.589402 0.522994 Al\n0.016073 0.748097 0.191970 I\n0.983928 0.248097 0.808031 I\n0.695775 0.776344 0.453626 Cl\n0.304225 0.276344 0.546374 Cl\n0.695808 0.201404 -0.005968 Cl\n0.304192 0.701404 0.005968 Cl\n0.195044 0.377291 0.035691 Cl\n0.804957 0.877291 0.964309 Cl\n0.301486 0.049347 0.181832 Cl\n0.698514 0.549347 0.818168 Cl\n0.777741 0.098067 0.499304 Cl\n0.222260 0.598067 0.500696 Cl\n0.691181 0.461050 0.324316 Cl\n0.308820 0.961050 0.675685 Cl\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Al",
"I",
"Cl"
],
"chemical_system": "Al-Cl-I",
"density": 2.657110807026704,
"density_atomic": 0.034918320422013586,
"volume": 458.2121879468494,
"volume_molar": 17.24636433602189,
"formula_full": "Al2 I2 Cl12",
"formula_reduced": "AlICl6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.174465435,
"spacegroup": 4
},
{
"id": "jvasp-111849",
"created_at": "2022-09-04T14:38:42.340413Z",
"updated_at": "2022-09-04T14:38:42.340440Z",
"structure_string": "Al2 In4 N6\n1.0\n5.927412 -0.000449 -0.000000\n-2.950058 5.125835 0.000000\n0.000000 -0.000000 5.499476\nAl In N\n2 4 6\ndirect\n-0.000001 0.658745 0.489382 Al\n-0.000000 0.341254 0.989383 Al\n0.323843 0.335328 0.487493 In\n0.676156 0.011484 0.487493 In\n0.676155 0.664671 0.987493 In\n0.323843 0.988515 0.987493 In\n0.302002 0.332976 0.885230 N\n0.697997 0.030974 0.885230 N\n0.697997 0.667023 0.385230 N\n0.302001 0.969025 0.385230 N\n-0.000001 0.631595 0.837176 N\n-0.000000 0.368404 0.337175 N\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Al",
"In",
"N"
],
"chemical_system": "Al-In-N",
"density": 5.935967597333171,
"density_atomic": 0.07182061698158533,
"volume": 167.08294225705103,
"volume_molar": 8.384974973890944,
"formula_full": "Al2 In4 N6",
"formula_reduced": "AlIn2N3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.900788748333333,
"spacegroup": 36
},
{
"id": "jvasp-112384",
"created_at": "2022-09-04T14:38:40.712731Z",
"updated_at": "2022-09-04T14:38:40.712759Z",
"structure_string": "Al1 In3 Cu4 Se8\n1.0\n5.587022 0.000234 1.553120\n2.579133 6.446578 1.547392\n-0.007084 0.034854 10.859953\nAl In Cu Se\n1 3 4 8\ndirect\n0.247302 0.375830 0.124638 Al\n0.252531 0.874192 0.625431 In\n0.500978 0.249735 0.754790 In\n0.498695 0.750545 0.245020 In\n0.748997 0.616678 0.880869 Cu\n0.751637 0.133132 0.368882 Cu\n0.993254 0.001651 0.005518 Cu\n0.006392 0.498133 0.494592 Cu\n0.359896 0.682941 0.050521 Se\n0.381083 0.204187 0.547542 Se\n0.897171 0.424252 0.312914 Se\n0.876636 0.916995 0.831644 Se\n0.103522 0.311485 0.952152 Se\n0.092778 0.815875 0.435102 Se\n0.665783 0.559924 0.686189 Se\n0.623348 0.084437 0.184194 Se\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Al",
"In",
"Cu",
"Se"
],
"chemical_system": "Al-Cu-In-Se",
"density": 5.338980992156057,
"density_atomic": 0.04091574880765878,
"volume": 391.0474686706712,
"volume_molar": 14.718393126102953,
"formula_full": "Al1 In3 Cu4 Se8",
"formula_reduced": "AlIn3(CuSe2)4",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 0.7214482152083332,
"spacegroup": 1
},
{
"id": "jvasp-100434",
"created_at": "2022-09-04T14:36:53.377649Z",
"updated_at": "2022-09-04T14:36:53.377668Z",
"structure_string": "Al1 In1 Ag2 S4\n1.0\n5.262837 -0.006490 -4.365164\n-1.165526 5.132158 -4.365164\n0.005188 0.006490 6.837549\nAl In Ag S\n1 1 2 4\ndirect\n0.250000 0.750000 0.500001 Al\n0.000000 0.000000 0.000000 In\n0.750000 0.250000 0.500001 Ag\n0.500000 0.500000 0.000001 Ag\n0.134433 0.091270 0.491550 S\n0.599721 0.642883 0.508451 S\n0.357117 0.865568 0.956839 S\n0.908730 0.400280 0.043163 S\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Al",
"In",
"Ag",
"S"
],
"chemical_system": "Ag-Al-In-S",
"density": 4.362170930556029,
"density_atomic": 0.04326031616941444,
"volume": 184.9269887134134,
"volume_molar": 13.920704454438836,
"formula_full": "Al1 In1 Ag2 S4",
"formula_reduced": "AlIn(AgS2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.11629341125,
"spacegroup": 82
},
{
"id": "jvasp-100042",
"created_at": "2022-09-04T14:36:58.206371Z",
"updated_at": "2022-09-04T14:36:58.206396Z",
"structure_string": "Al1 In1 Ag2 Se4\n1.0\n5.511212 -0.007450 -4.615505\n-1.206030 5.377639 -4.615505\n0.005972 0.007450 7.188623\nAl In Ag Se\n1 1 2 4\ndirect\n0.250000 0.750000 0.500000 Al\n0.000000 0.000000 0.000000 In\n0.750000 0.250000 0.500000 Ag\n0.500000 0.500000 0.000001 Ag\n0.601834 0.636706 0.503163 Se\n0.133543 0.098671 0.496838 Se\n0.901329 0.398166 0.034873 Se\n0.363294 0.866457 0.965128 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Al",
"In",
"Ag",
"Se"
],
"chemical_system": "Ag-Al-In-Se",
"density": 5.240599248085074,
"density_atomic": 0.03749421331001483,
"volume": 213.36625825039442,
"volume_molar": 16.061520507729835,
"formula_full": "Al1 In1 Ag2 Se4",
"formula_reduced": "AlIn(AgSe2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.8412638445833334,
"spacegroup": 82
},
{
"id": "jvasp-51284",
"created_at": "2022-09-04T14:37:02.925364Z",
"updated_at": "2022-09-04T14:37:02.925383Z",
"structure_string": "Al1 In1 B1\n1.0\n0.000000 3.017458 3.017458\n3.017458 0.000000 3.017458\n3.017458 3.017458 -0.000000\nAl In B\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Al\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 B\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Al",
"In",
"B"
],
"chemical_system": "Al-B-In",
"density": 4.6119004607304275,
"density_atomic": 0.054596846344972055,
"volume": 54.94822871351207,
"volume_molar": 11.030198927514782,
"formula_full": "Al1 In1 B1",
"formula_reduced": "AlInB",
"formula_anonymous": "ABC",
"energy_above_hull": 2.007968451111111,
"spacegroup": 216
},
{
"id": "jvasp-51524",
"created_at": "2022-09-04T14:37:31.786547Z",
"updated_at": "2022-09-04T14:37:31.786563Z",
"structure_string": "Al4 In4 Cl16\n1.0\n7.024115 0.000000 0.000000\n0.000000 9.319269 0.000000\n0.000000 0.000000 10.563486\nAl In Cl\n4 4 16\ndirect\n0.749999 0.812292 0.564978 Al\n0.250000 0.312292 0.935022 Al\n0.250000 0.187708 0.435022 Al\n0.749999 0.687708 0.064978 Al\n0.749999 0.283049 0.694890 In\n0.749999 0.216951 0.194890 In\n0.250000 0.716951 0.305111 In\n0.250000 0.783049 0.805111 In\n-0.001989 0.674884 0.566370 Cl\n0.250000 0.055678 0.602143 Cl\n0.749999 0.555678 0.897857 Cl\n0.250000 0.444322 0.102143 Cl\n0.001989 0.174884 0.933630 Cl\n0.749999 0.944322 0.397857 Cl\n0.498011 0.325116 0.433630 Cl\n0.749999 0.936781 0.737236 Cl\n0.749999 0.563219 0.237236 Cl\n0.501989 0.825116 0.066370 Cl\n0.501989 0.674884 0.566370 Cl\n0.498011 0.174884 0.933630 Cl\n0.250000 0.063219 0.262764 Cl\n0.001989 0.325116 0.433630 Cl\n-0.001989 0.825116 0.066370 Cl\n0.250000 0.436781 0.762765 Cl\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Al",
"In",
"Cl"
],
"chemical_system": "Al-Cl-In",
"density": 2.724283264932208,
"density_atomic": 0.03470807438552578,
"volume": 691.4817495610951,
"volume_molar": 17.350835120116596,
"formula_full": "Al4 In4 Cl16",
"formula_reduced": "AlInCl4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0567631733333334,
"spacegroup": 62
}
]
}