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=-nsites&page=444",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=442",
"results": [
{
"id": "jvasp-27495",
"created_at": "2022-09-04T14:38:13.921714Z",
"updated_at": "2022-09-04T14:38:13.921742Z",
"structure_string": "Ca3 Ta1 Ga3 Si2 O14\n1.0\n4.081529 -7.069415 -0.000000\n4.081529 7.069415 0.000000\n0.000000 -0.000000 5.017090\nCa Ta Ga Si O\n3 1 3 2 14\ndirect\n0.576139 0.000000 0.000000 Ca\n0.423861 0.423861 0.000000 Ca\n0.000000 0.576139 0.000000 Ca\n0.000000 0.000000 0.000000 Ta\n0.744984 0.744984 0.500000 Ga\n0.000000 0.255016 0.500000 Ga\n0.255016 0.000000 0.500000 Ga\n0.333333 0.666667 0.448723 Si\n0.666667 0.333333 0.551276 Si\n0.677665 0.523133 0.692497 O\n0.666667 0.333333 0.229714 O\n0.333333 0.666667 0.770286 O\n0.322336 0.845469 0.307503 O\n0.154532 0.476867 0.307503 O\n0.523133 0.677665 0.307503 O\n0.083460 0.857878 0.764243 O\n0.857878 0.083460 0.235757 O\n0.225582 0.142122 0.235757 O\n0.845469 0.322336 0.692497 O\n0.142122 0.225582 0.764243 O\n0.774418 0.916540 0.764243 O\n0.916540 0.774418 0.235757 O\n0.476867 0.154532 0.692497 O\n",
"nsites": 23,
"nelements": 5,
"elements": [
"Ca",
"Ta",
"Ga",
"Si",
"O"
],
"chemical_system": "Ca-Ga-O-Si-Ta",
"density": 4.533881097251571,
"density_atomic": 0.07944006392178396,
"volume": 289.52645383877854,
"volume_molar": 7.580735038090292,
"formula_full": "Ca3 Ta1 Ga3 Si2 O14",
"formula_reduced": "Ca3TaGa3(SiO7)2",
"formula_anonymous": "AB2C3D3E14",
"energy_above_hull": 2.317373636304348,
"spacegroup": 150
},
{
"id": "jvasp-20302",
"created_at": "2022-09-04T14:38:29.441036Z",
"updated_at": "2022-09-04T14:38:29.441060Z",
"structure_string": "Pd16 S7\n1.0\n7.387873 0.000000 -2.612007\n-3.693937 6.398085 -2.612007\n-0.000000 -0.000000 7.836023\nPd S\n16 7\ndirect\n0.752359 0.752359 0.337499 Pd\n0.247641 0.585141 -0.000000 Pd\n-0.000000 0.247641 0.585140 Pd\n0.337499 0.752359 0.752358 Pd\n0.752359 0.337500 0.752358 Pd\n0.247641 0.000000 0.585140 Pd\n0.000000 0.000000 0.232233 Pd\n-0.000000 0.232233 -0.000000 Pd\n0.232233 -0.000000 -0.000000 Pd\n0.767766 0.767767 0.767766 Pd\n0.585140 0.247641 -0.000000 Pd\n0.414859 0.414860 0.662500 Pd\n0.662500 0.414860 0.414859 Pd\n-0.000000 0.585141 0.247641 Pd\n0.585140 -0.000000 0.247641 Pd\n0.414859 0.662501 0.414859 Pd\n0.312084 0.312085 0.312084 S\n0.687915 -0.000000 -0.000000 S\n-0.000000 0.687916 -0.000000 S\n0.000000 0.000000 0.687915 S\n-0.000000 0.500000 0.500000 S\n0.500000 -0.000000 0.500000 S\n0.500000 0.500000 -0.000000 S\n",
"nsites": 23,
"nelements": 2,
"elements": [
"Pd",
"S"
],
"chemical_system": "Pd-S",
"density": 8.639828502364846,
"density_atomic": 0.06209586873190436,
"volume": 370.39501128974115,
"volume_molar": 9.69813432516787,
"formula_full": "Pd16 S7",
"formula_reduced": "Pd16S7",
"formula_anonymous": "A7B16",
"energy_above_hull": 2.1966087478260867,
"spacegroup": 217
},
{
"id": "jvasp-25581",
"created_at": "2022-09-04T14:38:12.291792Z",
"updated_at": "2022-09-04T14:38:12.291824Z",
"structure_string": "Sr3 P6 N8 O6\n1.0\n3.666821 -6.351121 0.000000\n3.666821 6.351121 -0.000000\n-0.000000 -0.000000 6.056683\nSr P N O\n3 6 8 6\ndirect\n0.666667 0.333333 0.383360 Sr\n0.000000 0.000000 0.500000 Sr\n0.333333 0.666667 0.616640 Sr\n0.824399 0.602180 0.888929 P\n0.602180 0.777780 0.111070 P\n0.397820 0.222220 0.888929 P\n0.175600 0.397820 0.111070 P\n0.777780 0.175600 0.888929 P\n0.222220 0.824399 0.111070 P\n0.027756 0.330311 0.893966 N\n0.666667 0.333333 0.918733 N\n0.333333 0.666667 0.081266 N\n0.302555 0.972244 0.893966 N\n0.697445 0.027756 0.106033 N\n0.669689 0.697445 0.893966 N\n0.330311 0.302555 0.106033 N\n0.972244 0.669689 0.106033 N\n0.927453 0.636423 0.660149 O\n0.072546 0.363577 0.339851 O\n0.363577 0.291031 0.660149 O\n0.291030 0.927453 0.339851 O\n0.708969 0.072546 0.660149 O\n0.636423 0.708969 0.339851 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Sr",
"P",
"N",
"O"
],
"chemical_system": "N-O-P-Sr",
"density": 3.8658584089284402,
"density_atomic": 0.08153102453497005,
"volume": 282.10120173498996,
"volume_molar": 7.386318023535939,
"formula_full": "Sr3 P6 N8 O6",
"formula_reduced": "Sr3P6(N4O3)2",
"formula_anonymous": "A3B6C6D8",
"energy_above_hull": 3.9043195186956514,
"spacegroup": 147
},
{
"id": "jvasp-97576",
"created_at": "2022-09-04T14:35:44.842588Z",
"updated_at": "2022-09-04T14:35:44.842619Z",
"structure_string": "Ca4 Al6 S1 O12\n1.0\n7.394501 -0.000000 -2.614351\n-3.697251 6.403826 -2.614351\n-0.000000 -0.000000 7.843053\nCa Al S O\n4 6 1 12\ndirect\n0.352669 0.352669 0.352669 Ca\n0.647331 0.000000 0.000000 Ca\n0.000000 0.647331 0.000000 Ca\n0.000000 0.000000 0.647331 Ca\n0.750000 0.500000 0.250000 Al\n0.250000 0.500000 0.750000 Al\n0.750000 0.250000 0.500000 Al\n0.250000 0.750000 0.500000 Al\n0.500000 0.750000 0.250000 Al\n0.500000 0.250000 0.750000 Al\n0.000000 0.000000 0.000000 S\n0.277857 0.708973 0.277857 O\n0.000000 0.722144 0.431116 O\n0.722143 0.431116 0.000000 O\n0.431116 0.722144 0.000000 O\n0.568884 0.568884 0.291027 O\n0.431116 0.000000 0.722143 O\n0.000000 0.431116 0.722143 O\n0.291027 0.568884 0.568884 O\n0.568884 0.291027 0.568884 O\n0.277857 0.277857 0.708973 O\n0.708973 0.277857 0.277857 O\n0.722143 0.000000 0.431116 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Ca",
"Al",
"S",
"O"
],
"chemical_system": "Al-Ca-O-S",
"density": 2.442385331699761,
"density_atomic": 0.061929031919547954,
"volume": 371.39285545233963,
"volume_molar": 9.724261099097054,
"formula_full": "Ca4 Al6 S1 O12",
"formula_reduced": "Ca4Al6SO12",
"formula_anonymous": "AB4C6D12",
"energy_above_hull": 2.0292495860869564,
"spacegroup": 217
},
{
"id": "jvasp-62215",
"created_at": "2022-09-04T14:35:44.302756Z",
"updated_at": "2022-09-04T14:35:44.302773Z",
"structure_string": "Ca4 Al6 S1 O12\n1.0\n-4.538679 4.538679 4.538679\n4.538679 -4.538679 4.538679\n4.538679 4.538679 -4.538679\nCa Al S O\n4 6 1 12\ndirect\n0.647533 0.000000 0.000000 Ca\n0.352467 0.352467 0.352467 Ca\n0.000000 0.647533 0.000000 Ca\n0.000000 0.000000 0.647533 Ca\n0.250000 0.500000 0.750000 Al\n0.750000 0.500000 0.250000 Al\n0.750000 0.250000 0.500000 Al\n0.250000 0.750000 0.500000 Al\n0.500000 0.250000 0.750000 Al\n0.500000 0.750000 0.250000 Al\n0.000000 0.000000 0.000000 S\n0.568489 0.568489 0.290663 O\n0.000000 0.431512 0.722173 O\n0.000000 0.722173 0.431512 O\n0.431512 0.000000 0.722173 O\n0.722173 0.000000 0.431512 O\n0.568489 0.290663 0.568489 O\n0.277827 0.709338 0.277827 O\n0.431512 0.722173 0.000000 O\n0.722173 0.431512 0.000000 O\n0.277827 0.277827 0.709338 O\n0.709338 0.277827 0.277827 O\n0.290663 0.568489 0.568489 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Ca",
"Al",
"S",
"O"
],
"chemical_system": "Al-Ca-O-S",
"density": 2.4254891269635874,
"density_atomic": 0.06150061237868153,
"volume": 373.98001597741296,
"volume_molar": 9.79200129410013,
"formula_full": "Ca4 Al6 S1 O12",
"formula_reduced": "Ca4Al6SO12",
"formula_anonymous": "AB4C6D12",
"energy_above_hull": 2.029632629565217,
"spacegroup": 217
},
{
"id": "jvasp-61909",
"created_at": "2022-09-04T14:35:41.488070Z",
"updated_at": "2022-09-04T14:35:41.488088Z",
"structure_string": "Na4 Be1 Al1 Si4 Cl1 O12\n1.0\n-4.335746 4.335746 4.469791\n4.335746 -4.335746 4.469791\n4.335746 4.335746 -4.469791\nNa Be Al Si Cl O\n4 1 1 4 1 12\ndirect\n0.971967 0.014818 0.349074 Na\n0.665745 0.622893 0.650927 Na\n0.377107 0.028033 0.042851 Na\n0.985183 0.334256 0.957150 Na\n0.750000 0.250000 0.500000 Be\n0.250000 0.750000 0.500000 Al\n0.490437 0.250317 0.732035 Si\n0.518283 0.758403 0.267966 Si\n0.749683 0.481717 0.240119 Si\n0.241597 0.509564 0.759882 Si\n0.000000 0.000000 0.000000 Cl\n0.306178 0.589240 0.017800 O\n0.410760 0.428560 0.716938 O\n0.003076 0.309699 0.610824 O\n0.690302 0.301125 0.693378 O\n0.607747 0.996924 0.306623 O\n0.282834 0.009917 0.566545 O\n0.443372 0.716290 0.433456 O\n0.283710 0.717167 0.727083 O\n0.990083 0.556628 0.272918 O\n0.711622 0.693822 0.283063 O\n0.571441 0.288379 0.982201 O\n0.698875 0.392253 0.389177 O\n",
"nsites": 23,
"nelements": 6,
"elements": [
"Na",
"Be",
"Al",
"Si",
"Cl",
"O"
],
"chemical_system": "Al-Be-Cl-Na-O-Si",
"density": 2.3108900971767126,
"density_atomic": 0.0684310121744551,
"volume": 336.1049218644433,
"volume_molar": 8.80030934607165,
"formula_full": "Na4 Be1 Al1 Si4 Cl1 O12",
"formula_reduced": "Na4BeAlSi4ClO12",
"formula_anonymous": "ABCD4E4F12",
"energy_above_hull": 2.2185215377173915,
"spacegroup": 82
},
{
"id": "jvasp-98589",
"created_at": "2022-09-04T14:35:45.138519Z",
"updated_at": "2022-09-04T14:35:45.138536Z",
"structure_string": "V6 H4 O13\n1.0\n5.956577 1.913178 -1.141721\n-5.956577 1.913178 1.141721\n0.009878 -0.000000 10.357191\nV H O\n6 4 13\ndirect\n0.644425 0.355576 -0.002132 V\n0.352493 0.647508 0.012404 V\n0.591554 0.408447 0.615469 V\n0.410808 0.589193 0.364857 V\n0.291825 0.708176 0.637009 V\n0.715223 0.284777 0.386470 V\n0.819626 0.180375 0.876877 H\n0.922469 0.077532 0.496282 H\n0.507422 0.492579 0.804621 H\n0.581133 0.418868 0.195144 H\n0.662839 0.337162 0.199815 O\n0.333705 0.666296 0.802737 O\n0.382360 0.617641 0.194353 O\n0.588654 0.411347 0.804405 O\n0.500856 0.499145 0.008113 O\n0.185915 0.814086 0.001194 O\n0.760252 0.239749 0.595962 O\n0.894152 0.105849 0.400135 O\n0.127066 0.872935 0.616423 O\n0.433576 0.566425 0.579215 O\n0.818763 0.181238 0.971909 O\n0.251272 0.748729 0.403677 O\n0.567712 0.432289 0.415304 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"V",
"H",
"O"
],
"chemical_system": "H-O-V",
"density": 3.64083564577324,
"density_atomic": 0.09741466296797237,
"volume": 236.10408637929442,
"volume_molar": 6.18196540081439,
"formula_full": "V6 H4 O13",
"formula_reduced": "V6H4O13",
"formula_anonymous": "A4B6C13",
"energy_above_hull": 3.6620217695652175,
"spacegroup": 8
},
{
"id": "jvasp-98782",
"created_at": "2022-09-04T14:35:51.563034Z",
"updated_at": "2022-09-04T14:35:51.563054Z",
"structure_string": "Ba6 Nb2 Ir1 Cl2 O12\n1.0\n5.983886 -0.000000 -0.000000\n-2.991943 5.182197 0.000000\n-0.000000 0.000000 15.015355\nBa Nb Ir Cl O\n6 2 1 2 12\ndirect\n0.333334 0.666667 0.366378 Ba\n0.333334 0.666667 0.790653 Ba\n0.666668 0.333333 0.633622 Ba\n0.666668 0.333333 0.928517 Ba\n0.333334 0.666667 0.071483 Ba\n0.666668 0.333333 0.209347 Ba\n0.000000 0.000000 0.813913 Nb\n0.000000 0.000000 0.186087 Nb\n0.000000 0.000000 0.000000 Ir\n0.666668 0.333333 0.419673 Cl\n0.333334 0.666667 0.580328 Cl\n0.689207 0.844603 0.917129 O\n0.844604 0.155397 0.082872 O\n0.310795 0.155397 0.082872 O\n0.163971 0.836030 0.242406 O\n0.844604 0.689206 0.082872 O\n0.155397 0.310794 0.917129 O\n0.836030 0.672059 0.757594 O\n0.163971 0.327942 0.242406 O\n0.327942 0.163971 0.757594 O\n0.672060 0.836030 0.242406 O\n0.836030 0.163971 0.757594 O\n0.155398 0.844603 0.917129 O\n",
"nsites": 23,
"nelements": 5,
"elements": [
"Ba",
"Nb",
"Ir",
"Cl",
"O"
],
"chemical_system": "Ba-Cl-Ir-Nb-O",
"density": 5.224219834136885,
"density_atomic": 0.04939636623122574,
"volume": 465.6212947393007,
"volume_molar": 12.19146512075442,
"formula_full": "Ba6 Nb2 Ir1 Cl2 O12",
"formula_reduced": "Ba6Nb2Ir(ClO6)2",
"formula_anonymous": "AB2C2D6E12",
"energy_above_hull": 2.2763185154347827,
"spacegroup": 164
},
{
"id": "jvasp-42920",
"created_at": "2022-09-04T14:36:05.807197Z",
"updated_at": "2022-09-04T14:36:05.807224Z",
"structure_string": "Li3 Fe4 B4 O12\n1.0\n-5.207540 0.008542 0.054497\n2.592297 4.489021 -0.127999\n0.040368 -0.029243 -9.807383\nLi Fe B O\n3 4 4 12\ndirect\n0.009017 0.343818 0.354166 Li\n0.986050 0.346560 0.827134 Li\n0.994021 0.657288 0.105518 Li\n0.338943 0.313105 0.622373 Fe\n0.322509 0.005943 0.859503 Fe\n0.664824 0.988758 0.122909 Fe\n0.675780 0.677383 0.370183 Fe\n0.669996 0.678166 0.876635 B\n0.673791 0.985650 0.621313 B\n0.328779 0.001151 0.366416 B\n0.325829 0.322159 0.121600 B\n0.596027 0.576407 0.150143 O\n0.601641 0.022701 0.339245 O\n0.925819 0.660893 0.886658 O\n0.071564 0.735519 0.351466 O\n0.941328 0.240719 0.633805 O\n0.649736 0.724147 0.575902 O\n0.417800 0.988521 0.658851 O\n0.401732 0.429977 0.841568 O\n0.676937 0.944342 0.905393 O\n0.325348 0.065019 0.084680 O\n0.067178 0.330089 0.135384 O\n0.324086 0.257204 0.402437 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Li",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-O",
"density": 3.4691598353938438,
"density_atomic": 0.10022336144448121,
"volume": 229.48741359808474,
"volume_molar": 6.008719597113062,
"formula_full": "Li3 Fe4 B4 O12",
"formula_reduced": "Li3Fe4(BO3)4",
"formula_anonymous": "A3B4C4D12",
"energy_above_hull": 3.380567579710145,
"spacegroup": 1
},
{
"id": "jvasp-104111",
"created_at": "2022-09-04T14:36:48.541077Z",
"updated_at": "2022-09-04T14:36:48.541096Z",
"structure_string": "H6 C13 S4\n1.0\n3.635341 0.344141 0.878765\n0.691793 6.182490 0.336692\n1.658525 0.344754 12.750025\nH C S\n6 13 4\ndirect\n0.235503 0.153402 0.133501 H\n0.466303 0.113732 0.757334 H\n0.981064 0.864395 0.651988 H\n0.450210 0.166342 0.956235 H\n0.303815 0.104004 0.327904 H\n0.948652 0.865076 0.453588 H\n0.080449 0.617206 0.050674 C\n0.168740 0.508422 0.644739 C\n0.150766 0.509736 0.450492 C\n0.199088 0.461785 0.752651 C\n0.129952 0.510442 0.150079 C\n0.165038 0.463074 0.342184 C\n0.040379 0.717327 0.496972 C\n0.052265 0.716598 0.604100 C\n0.208955 0.291085 0.183276 C\n0.346992 0.269434 0.800276 C\n0.234641 0.263996 0.290139 C\n0.329957 0.297117 0.909340 C\n0.158506 0.509433 0.948357 C\n0.073721 0.684200 0.255862 S\n0.923904 0.891771 0.053547 S\n0.032713 0.677416 0.845540 S\n0.267458 0.311792 0.544852 S\n",
"nsites": 23,
"nelements": 3,
"elements": [
"H",
"C",
"S"
],
"chemical_system": "C-H-S",
"density": 1.7570297045804286,
"density_atomic": 0.08378983516745499,
"volume": 274.49630320950297,
"volume_molar": 7.187197287075073,
"formula_full": "H6 C13 S4",
"formula_reduced": "H6C13S4",
"formula_anonymous": "A4B6C13",
"energy_above_hull": 5.620386086956522,
"spacegroup": 1
},
{
"id": "jvasp-50084",
"created_at": "2022-09-04T14:37:04.672370Z",
"updated_at": "2022-09-04T14:37:04.672397Z",
"structure_string": "Cd4 B6 O13\n1.0\n-3.929996 3.929996 3.929996\n3.929996 -3.929996 3.929996\n3.929996 3.929996 -3.929996\nCd B O\n4 6 13\ndirect\n0.683224 0.000000 0.000000 Cd\n0.316777 0.316777 0.316777 Cd\n0.000000 0.683224 0.000000 Cd\n0.000000 0.000000 0.683224 Cd\n0.750001 0.500000 0.250000 B\n0.750001 0.250000 0.500000 B\n0.500000 0.250000 0.750001 B\n0.500000 0.750001 0.250000 B\n0.250000 0.750001 0.500000 B\n0.250000 0.500000 0.750001 B\n0.291750 0.584788 0.584788 O\n0.293038 0.708251 0.293038 O\n0.293038 0.293038 0.708251 O\n0.584788 0.584788 0.291750 O\n0.584788 0.291750 0.584788 O\n0.706963 0.415213 0.000000 O\n0.415213 0.706963 0.000000 O\n0.000000 0.000000 0.000000 O\n0.708251 0.293038 0.293038 O\n0.000000 0.706963 0.415213 O\n0.706963 0.000000 0.415213 O\n0.415213 0.000000 0.706963 O\n0.000000 0.415213 0.706963 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Cd",
"B",
"O"
],
"chemical_system": "B-Cd-O",
"density": 4.941422119468792,
"density_atomic": 0.09473086864939001,
"volume": 242.79308664555458,
"volume_molar": 6.357104971019156,
"formula_full": "Cd4 B6 O13",
"formula_reduced": "Cd4B6O13",
"formula_anonymous": "A4B6C13",
"energy_above_hull": 2.709151304347825,
"spacegroup": 217
},
{
"id": "jvasp-104150",
"created_at": "2022-09-04T14:36:47.502124Z",
"updated_at": "2022-09-04T14:36:47.502144Z",
"structure_string": "H14 C6 N2\n1.0\n4.619314 0.000677 -0.526384\n-0.001091 4.952853 -0.001313\n0.014019 0.000195 6.815354\nH C N\n14 6 2\ndirect\n0.934244 0.346482 0.290573 H\n0.471226 0.846535 0.805015 H\n0.761650 0.346593 0.948963 H\n0.672622 0.605580 0.536004 H\n0.003915 0.602107 0.691609 H\n0.003896 0.090936 0.691586 H\n0.434243 0.346540 0.790572 H\n0.672580 0.087336 0.536002 H\n0.261651 0.346526 0.448963 H\n0.172643 0.605517 0.036005 H\n0.172562 0.087272 0.036002 H\n0.503923 0.602044 0.191621 H\n0.503888 0.090873 0.191575 H\n0.971227 0.846468 0.305016 H\n0.266667 0.090702 0.192987 C\n0.266695 0.602202 0.193001 C\n0.172176 0.346481 0.292715 C\n0.766672 0.090765 0.692990 C\n0.766687 0.602265 0.692998 C\n0.672175 0.346544 0.792715 C\n0.690227 0.846546 0.797265 N\n0.190227 0.846484 0.297264 N\n",
"nsites": 22,
"nelements": 3,
"elements": [
"H",
"C",
"N"
],
"chemical_system": "C-H-N",
"density": 1.2157640838165182,
"density_atomic": 0.1410585891439443,
"volume": 155.96356190369897,
"volume_molar": 4.269247832795677,
"formula_full": "H14 C6 N2",
"formula_reduced": "H7C3N",
"formula_anonymous": "AB3C7",
"energy_above_hull": 4.529190295454546,
"spacegroup": 6
}
]
}