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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=275",
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"results": [
{
"id": "jvasp-105626",
"created_at": "2022-09-04T14:35:44.357565Z",
"updated_at": "2022-09-04T14:35:44.357591Z",
"structure_string": "Na3 Sb1 I6\n1.0\n7.384719 -0.000000 4.263569\n2.461573 6.962380 4.263569\n-0.000000 0.000000 8.527138\nNa Sb I\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.751589 0.248411 0.248411 I\n0.248411 0.248411 0.751589 I\n0.248411 0.751589 0.751590 I\n0.248411 0.751589 0.248411 I\n0.751589 0.248411 0.751589 I\n0.751589 0.751589 0.248411 I\n",
"nsites": 10,
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"volume": 438.4246751422352,
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"formula_full": "Na3 Sb1 I6",
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{
"id": "jvasp-62082",
"created_at": "2022-09-04T14:36:08.014093Z",
"updated_at": "2022-09-04T14:36:08.014105Z",
"structure_string": "Ca10 Au6\n1.0\n-3.908568 3.908568 7.174129\n3.908568 -3.908568 7.174129\n3.908568 3.908568 -7.174129\nCa Au\n10 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 Ca\n0.023440 0.523440 0.836013 Ca\n0.687427 0.187426 0.163988 Ca\n0.187426 0.023440 0.500000 Ca\n0.523440 0.687427 0.500000 Ca\n0.476561 0.312574 0.500000 Ca\n0.812574 0.976561 0.500000 Ca\n0.312574 0.812574 0.836013 Ca\n0.976561 0.476560 0.163988 Ca\n0.750000 0.750000 0.000000 Au\n0.250000 0.250000 0.000000 Au\n0.368009 0.868010 0.236020 Au\n0.631991 0.131991 0.763981 Au\n0.131991 0.368010 0.500000 Au\n0.868010 0.631991 0.500000 Au\n",
"nsites": 16,
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"elements": [
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"volume": 438.39391463203253,
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"formula_full": "Ca10 Au6",
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"spacegroup": 140
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{
"id": "jvasp-88239",
"created_at": "2022-09-04T14:36:16.718149Z",
"updated_at": "2022-09-04T14:36:16.718175Z",
"structure_string": "Sr2 H32 O20\n1.0\n6.304823 0.003159 0.037436\n0.003159 6.304823 0.037436\n0.065888 0.065888 11.027715\nSr H O\n2 32 20\ndirect\n0.000815 -0.001361 0.251267 Sr\n-0.001361 0.000815 0.751268 Sr\n0.282500 0.390475 0.645515 H\n0.140144 0.313688 0.533060 H\n0.393010 0.724876 0.649167 H\n0.454266 0.970005 0.631834 H\n0.614368 0.277728 0.645910 H\n0.689052 0.137485 0.531670 H\n0.137485 0.689051 0.031670 H\n0.970005 0.454265 0.131834 H\n0.724876 0.393010 0.149166 H\n0.549107 0.973803 0.131837 H\n0.611493 0.729019 0.149520 H\n0.390475 0.282500 0.145515 H\n0.313688 0.140144 0.033060 H\n0.973803 0.549107 0.631838 H\n0.729019 0.611493 0.649521 H\n0.277727 0.614367 0.145910 H\n0.608923 0.717022 0.857001 H\n0.685712 0.859384 0.969455 H\n0.025725 0.450301 0.370679 H\n0.270517 0.387913 0.353010 H\n0.717021 0.608923 0.357000 H\n0.606484 0.274540 0.353363 H\n0.545207 0.029419 0.370723 H\n0.385117 0.721698 0.356650 H\n0.859384 0.685711 0.469455 H\n0.310410 0.861942 0.470882 H\n0.721698 0.385117 0.856650 H\n0.861942 0.310410 0.970882 H\n0.029419 0.545207 0.870723 H\n0.274540 0.606484 0.853363 H\n0.450301 0.025725 0.870679 H\n0.387913 0.270517 0.853011 H\n0.326775 0.125936 0.876724 O\n0.134400 0.676054 0.122557 O\n0.676054 0.134400 0.622557 O\n0.331575 0.869432 0.626389 O\n0.138897 0.329212 0.623561 O\n0.873591 0.672633 0.625795 O\n0.670186 0.860627 0.878955 O\n0.869432 0.331574 0.126388 O\n0.129988 0.667903 0.876168 O\n0.497705 0.495146 0.819110 O\n0.323418 0.865023 0.379994 O\n0.667903 0.129988 0.376168 O\n0.860627 0.670186 0.378955 O\n0.125936 0.326775 0.376724 O\n0.501725 0.504359 0.183425 O\n0.504359 0.501725 0.683425 O\n0.495146 0.497705 0.319110 O\n0.672633 0.873591 0.125794 O\n0.865023 0.323419 0.879995 O\n0.329212 0.138896 0.123560 O\n",
"nsites": 54,
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"elements": [
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"H",
"O"
],
"chemical_system": "H-O-Sr",
"density": 1.9982801999214794,
"density_atomic": 0.12319507250073118,
"volume": 438.3292196989413,
"volume_molar": 4.8882967782370175,
"formula_full": "Sr2 H32 O20",
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"formula_anonymous": "AB10C16",
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"spacegroup": 15
},
{
"id": "jvasp-88701",
"created_at": "2022-09-04T14:35:44.241593Z",
"updated_at": "2022-09-04T14:35:44.241630Z",
"structure_string": "Rb2 Au2 N24\n1.0\n7.457833 0.007105 -0.079539\n-0.208161 7.454930 -0.079539\n-0.052294 -0.053826 7.884850\nRb Au N\n2 2 24\ndirect\n0.922267 0.077734 0.250000 Rb\n0.077733 0.922267 0.750000 Rb\n0.488043 0.511958 0.750000 Au\n0.511958 0.488043 0.250000 Au\n0.248407 0.474332 0.318521 N\n0.223456 0.534579 0.821057 N\n0.776544 0.465421 0.178942 N\n0.919885 0.280523 0.584320 N\n0.465421 0.776544 0.678942 N\n0.719477 0.080115 0.915679 N\n0.842880 0.592684 0.106468 N\n0.709830 0.913731 0.537677 N\n0.290170 0.086269 0.462323 N\n0.592684 0.842880 0.606468 N\n0.534580 0.223456 0.321057 N\n0.086270 0.290169 0.962323 N\n0.169798 0.605278 0.367880 N\n0.605278 0.169798 0.867880 N\n0.913730 0.709831 0.037677 N\n0.394722 0.830202 0.132120 N\n0.474333 0.248407 0.818521 N\n0.525668 0.751593 0.181479 N\n0.830202 0.394723 0.632120 N\n0.407317 0.157120 0.393531 N\n0.157120 0.407316 0.893531 N\n0.280523 0.919886 0.084320 N\n0.751593 0.525668 0.681479 N\n0.080115 0.719477 0.415679 N\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"Au",
"N"
],
"chemical_system": "Au-N-Rb",
"density": 3.413423079148829,
"density_atomic": 0.0638792819873989,
"volume": 438.32678027789046,
"volume_molar": 9.427377034682316,
"formula_full": "Rb2 Au2 N24",
"formula_reduced": "RbAuN12",
"formula_anonymous": "ABC12",
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"spacegroup": 15
},
{
"id": "jvasp-11194",
"created_at": "2022-09-04T14:37:14.320962Z",
"updated_at": "2022-09-04T14:37:14.320983Z",
"structure_string": "K6 Ge2 Se6\n1.0\n7.580819 0.010392 -2.024080\n-3.257610 6.845209 -2.024080\n0.008233 0.013057 8.431753\nK Ge Se\n6 2 6\ndirect\n0.500000 -0.000000 -0.000000 K\n0.000000 0.500000 0.000000 K\n0.210134 0.210134 0.680795 K\n0.789866 0.789866 0.319205 K\n0.660212 0.339788 0.500000 K\n0.339787 0.660213 0.500000 K\n0.117606 0.117606 0.152759 Ge\n0.882394 0.882395 0.847241 Ge\n0.374190 0.374190 0.132197 Se\n0.625810 0.625811 0.867803 Se\n0.946410 0.252703 0.304978 Se\n0.747296 0.053590 0.695022 Se\n0.053590 0.747297 0.695022 Se\n0.252703 0.946410 0.304978 Se\n",
"nsites": 14,
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"elements": [
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"Ge",
"Se"
],
"chemical_system": "Ge-K-Se",
"density": 3.2345792276708956,
"density_atomic": 0.03194678534089706,
"volume": 438.22875605821076,
"volume_molar": 18.850537529016062,
"formula_full": "K6 Ge2 Se6",
"formula_reduced": "K3GeSe3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.2050614357142856,
"spacegroup": 12
},
{
"id": "jvasp-89538",
"created_at": "2022-09-04T14:36:02.030186Z",
"updated_at": "2022-09-04T14:36:02.030214Z",
"structure_string": "Hg2 H16 C4 Br6 N2\n1.0\n6.400658 0.000000 0.000000\n0.000000 6.729570 -0.780066\n0.000000 0.073447 10.163604\nHg H C Br N\n2 16 4 6 2\ndirect\n0.750000 0.570962 0.138210 Hg\n0.250000 0.429039 0.861789 Hg\n0.616984 0.979128 0.826122 H\n0.889523 0.155558 0.610161 H\n0.116984 0.020872 0.173877 H\n0.610477 0.155558 0.610161 H\n0.250000 0.232933 0.170780 H\n0.611076 0.780584 0.612687 H\n0.388925 0.219416 0.387312 H\n0.250000 0.964209 0.527552 H\n0.750000 0.767067 0.829219 H\n0.750000 0.035791 0.472447 H\n0.888925 0.780584 0.612687 H\n0.383016 0.020872 0.173877 H\n0.883016 0.979128 0.826122 H\n0.110477 0.844442 0.389838 H\n0.389523 0.844442 0.389838 H\n0.111075 0.219416 0.387312 H\n0.750000 0.065843 0.581095 C\n0.250000 0.934157 0.418905 C\n0.250000 0.129584 0.358706 C\n0.750000 0.870417 0.641293 C\n0.750000 0.432509 0.886648 Br\n0.750000 0.971109 0.131153 Br\n0.250000 0.567492 0.113351 Br\n0.750000 0.480005 0.372121 Br\n0.250000 0.519995 0.627878 Br\n0.250000 0.028891 0.868846 Br\n0.250000 0.097211 0.210075 N\n0.750000 0.902790 0.789924 N\n",
"nsites": 30,
"nelements": 5,
"elements": [
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"H",
"C",
"Br",
"N"
],
"chemical_system": "Br-C-H-Hg-N",
"density": 3.686749659318177,
"density_atomic": 0.06846962364443232,
"volume": 438.15050241537995,
"volume_molar": 8.795346665367127,
"formula_full": "Hg2 H16 C4 Br6 N2",
"formula_reduced": "HgH8C2Br3N",
"formula_anonymous": "ABC2D3E8",
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"spacegroup": 11
},
{
"id": "jvasp-100122",
"created_at": "2022-09-04T14:36:17.893239Z",
"updated_at": "2022-09-04T14:36:17.893258Z",
"structure_string": "K2 Rb1 Nd1 Br6\n1.0\n7.383127 -0.000000 4.262651\n2.461043 6.960880 4.262651\n-0.000000 -0.000000 8.525301\nK Rb Nd Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Nd\n0.762806 0.237194 0.237194 Br\n0.237194 0.237194 0.762806 Br\n0.237194 0.762806 0.762806 Br\n0.237194 0.762806 0.237194 Br\n0.762806 0.237194 0.762806 Br\n0.762806 0.762806 0.237194 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Rb",
"Nd",
"Br"
],
"chemical_system": "Br-K-Nd-Rb",
"density": 2.9839525352147223,
"density_atomic": 0.022823686465595495,
"volume": 438.14131494813665,
"volume_molar": 26.38548671389171,
"formula_full": "K2 Rb1 Nd1 Br6",
"formula_reduced": "K2RbNdBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-99725",
"created_at": "2022-09-04T14:36:31.658294Z",
"updated_at": "2022-09-04T14:36:31.658317Z",
"structure_string": "Rb2 Tl1 Ga1 I6\n1.0\n7.383118 -0.000000 4.262645\n2.461040 6.960870 4.262645\n0.000000 0.000000 8.525290\nRb Tl Ga I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ga\n0.766953 0.233047 0.233047 I\n0.233047 0.233047 0.766953 I\n0.233047 0.766953 0.766954 I\n0.233047 0.766953 0.233047 I\n0.766953 0.233047 0.766954 I\n0.766954 0.766953 0.233047 I\n",
"nsites": 10,
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"elements": [
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"I"
],
"chemical_system": "Ga-I-Rb-Tl",
"density": 4.5724890097720925,
"density_atomic": 0.022823776525193684,
"volume": 438.13958610055835,
"volume_molar": 26.38538260025702,
"formula_full": "Rb2 Tl1 Ga1 I6",
"formula_reduced": "Rb2TlGaI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-31842",
"created_at": "2022-09-04T14:38:07.382936Z",
"updated_at": "2022-09-04T14:38:07.382946Z",
"structure_string": "Ti2 S2 Cl12 O2\n1.0\n6.135858 0.030862 -0.160616\n-2.965276 6.602183 -2.308994\n-0.025999 0.049465 10.771080\nTi S Cl O\n2 2 12 2\ndirect\n0.928971 0.761349 0.854321 Ti\n0.071028 0.238651 0.145679 Ti\n0.363227 0.013561 0.304197 S\n0.636772 0.986439 0.695803 S\n0.181388 0.672759 0.941732 Cl\n0.956926 0.188159 0.668426 Cl\n0.818611 0.327241 0.058268 Cl\n0.207698 0.118356 0.934734 Cl\n0.041461 0.724559 0.655246 Cl\n0.403793 0.522343 0.195831 Cl\n0.545576 0.767284 0.507403 Cl\n0.792302 0.881644 0.065266 Cl\n0.454423 0.232716 0.492597 Cl\n0.043073 0.811840 0.331573 Cl\n0.596206 0.477657 0.804169 Cl\n0.958539 0.275441 0.344754 Cl\n0.693437 0.896848 0.788563 O\n0.306563 0.103152 0.211437 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
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"S",
"Cl",
"O"
],
"chemical_system": "Cl-O-S-Ti",
"density": 2.340179546943284,
"density_atomic": 0.041093880552536696,
"volume": 438.02142211874593,
"volume_molar": 14.654592554969254,
"formula_full": "Ti2 S2 Cl12 O2",
"formula_reduced": "TiSCl6O",
"formula_anonymous": "ABCD6",
"energy_above_hull": 1.0193351375925928,
"spacegroup": 2
},
{
"id": "jvasp-12502",
"created_at": "2022-09-04T14:37:33.540861Z",
"updated_at": "2022-09-04T14:37:33.540897Z",
"structure_string": "Pr4 Br10\n1.0\n0.000000 7.799940 -0.314329\n4.189085 0.000000 0.000000\n0.000000 -0.202861 -13.396699\nPr Br\n4 10\ndirect\n0.072620 0.750001 0.160759 Pr\n0.927380 0.250000 0.839241 Pr\n0.573272 0.750001 0.658588 Pr\n0.426728 0.250000 0.341412 Pr\n0.672988 0.750001 0.270207 Br\n0.327012 0.250000 0.729793 Br\n0.153862 0.750001 0.931465 Br\n0.846138 0.250000 0.068535 Br\n0.694912 0.250000 0.509771 Br\n0.305088 0.750001 0.490229 Br\n0.044779 0.250000 0.323815 Br\n0.955222 0.750001 0.676185 Br\n0.351052 0.250000 0.120378 Br\n0.648948 0.750001 0.879622 Br\n",
"nsites": 14,
"nelements": 2,
"elements": [
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],
"chemical_system": "Br-Pr",
"density": 5.166147602363673,
"density_atomic": 0.03196353930492866,
"volume": 437.99905468670215,
"volume_molar": 18.840656857644703,
"formula_full": "Pr4 Br10",
"formula_reduced": "Pr2Br5",
"formula_anonymous": "A2B5",
"energy_above_hull": 0.3426618976190476,
"spacegroup": 11
},
{
"id": "jvasp-11423",
"created_at": "2022-09-04T14:36:33.220564Z",
"updated_at": "2022-09-04T14:36:33.220582Z",
"structure_string": "Rb2 Sm4 Cu2 Se8\n1.0\n4.189278 -0.000000 -0.000000\n-2.094638 7.196648 0.000000\n0.000000 -0.000000 14.526477\nRb Sm Cu Se\n2 4 2 8\ndirect\n0.109910 0.219821 0.750000 Rb\n0.890090 0.780179 0.250000 Rb\n0.634367 0.268734 0.063354 Sm\n0.365633 0.731266 0.936647 Sm\n0.634367 0.268734 0.436647 Sm\n0.365633 0.731266 0.563354 Sm\n0.838704 0.677408 0.750000 Cu\n0.161296 0.322592 0.250000 Cu\n0.568043 0.136086 0.250000 Se\n0.431957 0.863914 0.750000 Se\n0.264028 0.528056 0.112255 Se\n0.735972 0.471944 0.887746 Se\n0.000000 0.000000 0.500000 Se\n0.000000 0.000000 0.000000 Se\n0.264028 0.528056 0.387745 Se\n0.735972 0.471944 0.612255 Se\n",
"nsites": 16,
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"elements": [
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],
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"density": 5.805456996748785,
"density_atomic": 0.036533412426214086,
"volume": 437.9552562278416,
"volume_molar": 16.483926247412054,
"formula_full": "Rb2 Sm4 Cu2 Se8",
"formula_reduced": "RbSm2CuSe4",
"formula_anonymous": "ABC2D4",
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"spacegroup": 63
},
{
"id": "jvasp-45400",
"created_at": "2022-09-04T14:37:05.940805Z",
"updated_at": "2022-09-04T14:37:05.940823Z",
"structure_string": "Ca4 P4 S12\n1.0\n0.000000 6.548404 0.002718\n7.283498 0.000000 0.000000\n0.000000 -6.192883 -9.184805\nCa P S\n4 4 12\ndirect\n0.712639 0.618612 0.752767 Ca\n0.287362 0.118611 0.747234 Ca\n0.287361 0.381389 0.247234 Ca\n0.712639 0.881389 0.252766 Ca\n0.363467 0.609857 0.933312 P\n0.636533 0.109857 0.566689 P\n0.636533 0.390144 0.066689 P\n0.363467 0.890144 0.433311 P\n0.778282 0.304504 0.952618 S\n0.221719 0.804504 0.547383 S\n0.113913 0.493018 0.737748 S\n0.886088 0.993018 0.762252 S\n0.886087 0.506983 0.262252 S\n0.416640 0.190965 0.066347 S\n0.583361 0.809035 0.933653 S\n0.416640 0.309035 0.566348 S\n0.778281 0.195496 0.452618 S\n0.583360 0.690965 0.433653 S\n0.113913 0.006982 0.237748 S\n0.221718 0.695496 0.047382 S\n",
"nsites": 20,
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"elements": [
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"P",
"S"
],
"chemical_system": "Ca-P-S",
"density": 2.5365472340558917,
"density_atomic": 0.04566738485840496,
"volume": 437.94931682669045,
"volume_molar": 13.186962158380833,
"formula_full": "Ca4 P4 S12",
"formula_reduced": "CaPS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5170511840000005,
"spacegroup": 14
}
]
}