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=chemical_system&page=3539",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3537",
"results": [
{
"id": "jvasp-51053",
"created_at": "2022-09-04T14:37:30.473659Z",
"updated_at": "2022-09-04T14:37:30.473687Z",
"structure_string": "Rb2 Pd1 I6\n1.0\n6.831520 -0.000000 3.944180\n2.277173 6.440819 3.944180\n-0.000000 -0.000000 7.888359\nRb Pd I\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Pd\n0.755972 0.755972 0.244028 I\n0.755972 0.244028 0.244028 I\n0.244027 0.755972 0.244028 I\n0.244027 0.755972 0.755972 I\n0.244028 0.244028 0.755972 I\n0.755972 0.244028 0.755972 I\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"Pd",
"I"
],
"chemical_system": "I-Pd-Rb",
"density": 4.969681800699587,
"density_atomic": 0.0259296947015229,
"volume": 347.09240134136303,
"volume_molar": 23.224881084490008,
"formula_full": "Rb2 Pd1 I6",
"formula_reduced": "Rb2PdI6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0022888888888888,
"spacegroup": 225
},
{
"id": "jvasp-29700",
"created_at": "2022-09-04T14:37:58.938695Z",
"updated_at": "2022-09-04T14:37:58.938721Z",
"structure_string": "Te2 Pd2 I4\n1.0\n4.052689 -0.178987 0.337981\n0.072357 6.520547 2.678323\n-0.760861 0.054599 9.430557\nTe Pd I\n2 2 4\ndirect\n0.248286 0.510567 0.149613 Te\n0.751716 0.489433 0.850387 Te\n0.250128 0.241958 0.017271 Pd\n0.749874 0.758042 0.982728 Pd\n0.251778 0.040119 0.812987 I\n0.249606 0.710471 0.578948 I\n0.748223 0.959881 0.187013 I\n0.750395 0.289529 0.421052 I\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Te",
"Pd",
"I"
],
"chemical_system": "I-Pd-Te",
"density": 6.460266711827506,
"density_atomic": 0.03190022756682883,
"volume": 250.78191004250797,
"volume_molar": 18.878049529220508,
"formula_full": "Te2 Pd2 I4",
"formula_reduced": "TePdI2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4226240041666668,
"spacegroup": 11
},
{
"id": "jvasp-107471",
"created_at": "2022-09-04T14:36:56.532182Z",
"updated_at": "2022-09-04T14:36:56.532196Z",
"structure_string": "Pm1 I1\n1.0\n3.898691 -0.000000 0.000000\n-1.949345 3.376366 0.000000\n-0.000000 -0.000000 4.745225\nPm I\n1 1\ndirect\n0.333335 0.666668 -0.000000 Pm\n0.666667 0.333334 0.500001 I\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pm",
"I"
],
"chemical_system": "I-Pm",
"density": 7.228368774640067,
"density_atomic": 0.03201878530434923,
"volume": 62.46333147835976,
"volume_molar": 18.80814872506107,
"formula_full": "Pm1 I1",
"formula_reduced": "PmI",
"formula_anonymous": "AB",
"energy_above_hull": 0.053253725,
"spacegroup": 187
},
{
"id": "jvasp-33809",
"created_at": "2022-09-04T14:38:10.851137Z",
"updated_at": "2022-09-04T14:38:10.851147Z",
"structure_string": "Pm2 I6\n1.0\n10.495414 -0.000000 0.000000\n-5.247706 9.089295 -0.000000\n-0.000000 -0.000000 4.096578\nPm I\n2 6\ndirect\n0.333332 0.666665 0.749999 Pm\n0.666667 0.333333 0.250000 Pm\n0.204045 0.408092 0.249999 I\n0.591906 0.795953 0.249999 I\n0.204044 0.795953 0.249999 I\n0.795954 0.591908 0.750000 I\n0.408091 0.204046 0.750000 I\n0.795953 0.204046 0.750000 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pm",
"I"
],
"chemical_system": "I-Pm",
"density": 4.467629465927094,
"density_atomic": 0.02047099655809371,
"volume": 390.7968025541485,
"volume_molar": 29.417916919237623,
"formula_full": "Pm2 I6",
"formula_reduced": "PmI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-33803",
"created_at": "2022-09-04T14:38:05.666077Z",
"updated_at": "2022-09-04T14:38:05.666101Z",
"structure_string": "Pr2 I6\n1.0\n10.494767 -0.000000 -0.000000\n-5.247381 9.088733 0.000000\n-0.000000 -0.000000 4.170679\nPr I\n2 6\ndirect\n0.333333 0.666667 0.749999 Pr\n0.666667 0.333333 0.249998 Pr\n0.202576 0.405152 0.249998 I\n0.594848 0.797422 0.249998 I\n0.202575 0.797422 0.249998 I\n0.797424 0.594847 0.749999 I\n0.405153 0.202576 0.749999 I\n0.797425 0.202576 0.749999 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pr",
"I"
],
"chemical_system": "I-Pr",
"density": 4.354630387594192,
"density_atomic": 0.020109768697550753,
"volume": 397.8166094458536,
"volume_molar": 29.94634523436095,
"formula_full": "Pr2 I6",
"formula_reduced": "PrI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-38377",
"created_at": "2022-09-04T14:37:55.258923Z",
"updated_at": "2022-09-04T14:37:55.258950Z",
"structure_string": "Pr6 I2\n1.0\n3.533253 -6.119775 0.000000\n3.533253 6.119775 -0.000000\n-0.000000 0.000000 5.916532\nPr I\n6 2\ndirect\n0.833406 0.666813 0.250000 Pr\n0.333186 0.166593 0.250000 Pr\n0.833406 0.166593 0.250000 Pr\n0.166593 0.333186 0.750000 Pr\n0.666813 0.833406 0.750000 Pr\n0.166593 0.833406 0.750000 Pr\n0.666666 0.333333 0.750000 I\n0.333333 0.666666 0.250000 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pr",
"I"
],
"chemical_system": "I-Pr",
"density": 7.13411456018038,
"density_atomic": 0.0312667385438803,
"volume": 255.8629512564177,
"volume_molar": 19.260533846689576,
"formula_full": "Pr6 I2",
"formula_reduced": "Pr3I",
"formula_anonymous": "AB3",
"energy_above_hull": 1.1920532333333336,
"spacegroup": 194
},
{
"id": "jvasp-12459",
"created_at": "2022-09-04T14:37:27.981581Z",
"updated_at": "2022-09-04T14:37:27.981605Z",
"structure_string": "Pr4 I10\n1.0\n0.000000 8.689954 -0.339500\n4.346658 0.000000 0.000000\n0.000000 -0.593655 -14.557847\nPr I\n4 10\ndirect\n0.090692 0.750000 0.154537 Pr\n0.909307 0.250000 0.845463 Pr\n0.580097 0.750000 0.657442 Pr\n0.419902 0.250000 0.342559 Pr\n0.660338 0.750000 0.275891 I\n0.339661 0.250000 0.724109 I\n0.151090 0.750000 0.928099 I\n0.848909 0.250000 0.071902 I\n0.695575 0.250000 0.508193 I\n0.304424 0.750000 0.491807 I\n0.050196 0.250000 0.318092 I\n0.949803 0.750000 0.681909 I\n0.361731 0.250000 0.120609 I\n0.638268 0.750000 0.879391 I\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Pr",
"I"
],
"chemical_system": "I-Pr",
"density": 5.525520255297714,
"density_atomic": 0.0254194755970065,
"volume": 550.7588048609742,
"volume_molar": 23.691050340586848,
"formula_full": "Pr4 I10",
"formula_reduced": "Pr2I5",
"formula_anonymous": "A2B5",
"energy_above_hull": 0.236725230952381,
"spacegroup": 11
},
{
"id": "jvasp-56280",
"created_at": "2022-09-04T14:37:48.830086Z",
"updated_at": "2022-09-04T14:37:48.830114Z",
"structure_string": "Pr4 I8\n1.0\n7.601239 0.000000 4.388577\n2.533746 7.166517 4.388577\n-0.000000 0.000000 8.777155\nPr I\n4 8\ndirect\n0.363129 0.363129 0.363129 Pr\n0.363129 0.910613 0.363129 Pr\n0.363129 0.363129 0.910612 Pr\n0.910613 0.363129 0.363129 Pr\n0.627394 0.627394 0.627393 I\n0.110694 0.667920 0.110694 I\n0.627394 0.117819 0.627393 I\n0.117820 0.627394 0.627393 I\n0.667920 0.110694 0.110694 I\n0.110694 0.110694 0.110694 I\n0.627394 0.627394 0.117819 I\n0.110694 0.110694 0.667919 I\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Pr",
"I"
],
"chemical_system": "I-Pr",
"density": 5.483377906209691,
"density_atomic": 0.025097759587110656,
"volume": 478.1303270656392,
"volume_molar": 23.994734426784312,
"formula_full": "Pr4 I8",
"formula_reduced": "PrI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0009088722222223,
"spacegroup": 216
},
{
"id": "jvasp-97375",
"created_at": "2022-09-04T14:36:06.519849Z",
"updated_at": "2022-09-04T14:36:06.519871Z",
"structure_string": "Pr6 Ru2 I6\n1.0\n4.287496 0.000000 0.000000\n0.000000 9.265606 -0.546535\n0.000000 0.025352 12.518608\nPr Ru I\n6 2 6\ndirect\n0.750001 0.311568 0.119560 Pr\n0.250000 0.688432 0.880440 Pr\n0.250000 0.116532 0.336061 Pr\n0.750001 0.883468 0.663939 Pr\n0.250000 0.099055 0.889044 Pr\n0.750001 0.900946 0.110956 Pr\n0.250000 0.109882 0.120788 Ru\n0.750001 0.890118 0.879213 Ru\n0.250000 0.142437 0.616830 I\n0.750001 0.857563 0.383170 I\n0.750001 0.375821 0.379817 I\n0.250000 0.624179 0.620183 I\n0.250000 0.605487 0.137227 I\n0.750001 0.394513 0.862773 I\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Pr",
"Ru",
"I"
],
"chemical_system": "I-Pr-Ru",
"density": 6.03955924562782,
"density_atomic": 0.028147677306182176,
"volume": 497.3767408128247,
"volume_molar": 21.394805313749053,
"formula_full": "Pr6 Ru2 I6",
"formula_reduced": "Pr3RuI3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 1.2507912678571431,
"spacegroup": 11
},
{
"id": "jvasp-25004",
"created_at": "2022-09-04T14:37:44.789198Z",
"updated_at": "2022-09-04T14:37:44.789210Z",
"structure_string": "Pr6 Si4 S16 I2\n1.0\n7.874525 0.000000 0.000000\n-3.937263 7.928485 -1.129090\n0.000000 -0.021111 10.921361\nPr Si S I\n6 4 16 2\ndirect\n0.319248 0.395748 0.180949 Pr\n0.599588 0.000000 0.250000 Pr\n0.680752 0.604253 0.819051 Pr\n0.923500 0.604253 0.319051 Pr\n0.076500 0.395748 0.680949 Pr\n0.400412 0.000000 0.750000 Pr\n0.303060 0.680717 0.971708 Si\n0.622343 0.319283 0.528291 Si\n0.377658 0.680717 0.471708 Si\n0.696940 0.319283 0.028292 Si\n0.549141 0.298519 0.337526 S\n0.851215 0.564366 0.585216 S\n0.722494 0.135380 0.541030 S\n0.891063 0.290033 0.146301 S\n0.749378 0.298520 0.837526 S\n0.277506 0.864621 0.458970 S\n0.601030 0.709967 0.353699 S\n0.450859 0.701481 0.662474 S\n0.250623 0.701481 0.162474 S\n0.412885 0.135379 0.041030 S\n0.108937 0.709967 0.853699 S\n0.398970 0.290034 0.646301 S\n0.148786 0.435635 0.414784 S\n0.587115 0.864621 0.958970 S\n0.713151 0.564366 0.085216 S\n0.286849 0.435635 0.914784 S\n0.983728 0.000000 0.750000 I\n0.016272 0.000000 0.250000 I\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Pr",
"Si",
"S",
"I"
],
"chemical_system": "I-Pr-S-Si",
"density": 4.201215764360557,
"density_atomic": 0.041075821837129406,
"volume": 681.6662150065647,
"volume_molar": 14.661035350378418,
"formula_full": "Pr6 Si4 S16 I2",
"formula_reduced": "Pr3Si2S8I",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.198293073214286,
"spacegroup": 15
},
{
"id": "jvasp-88221",
"created_at": "2022-09-04T14:36:11.960896Z",
"updated_at": "2022-09-04T14:36:11.960907Z",
"structure_string": "P16 S12 I8\n1.0\n6.619154 0.000000 0.000000\n0.000000 9.334018 0.000000\n0.000000 0.000000 16.379173\nP S I\n16 12 8\ndirect\n0.454910 0.491162 0.353800 P\n0.045090 0.991162 0.146200 P\n0.199335 0.873219 0.250000 P\n0.699335 0.626781 0.750000 P\n0.741199 0.750645 0.250000 P\n0.454910 0.491162 0.146200 P\n0.241199 0.749356 0.750000 P\n0.758800 0.250645 0.250000 P\n0.954910 0.008838 0.853800 P\n0.545089 0.508839 0.646200 P\n0.258801 0.249355 0.750000 P\n0.954910 0.008838 0.646200 P\n0.300665 0.373219 0.250000 P\n0.800664 0.126781 0.750000 P\n0.045090 0.991162 0.353800 P\n0.545089 0.508839 0.853800 P\n0.250764 0.606573 0.646864 S\n0.249236 0.106572 0.646864 S\n0.456729 0.175098 0.250000 S\n0.956729 0.324902 0.750000 S\n0.749235 0.393428 0.353136 S\n0.043270 0.675098 0.250000 S\n0.749235 0.393428 0.146864 S\n0.250764 0.606573 0.853136 S\n0.543270 0.824902 0.750000 S\n0.249236 0.106572 0.853136 S\n0.750764 0.893428 0.146864 S\n0.750764 0.893428 0.353136 S\n0.230375 0.851732 0.462583 I\n0.730375 0.648269 0.962583 I\n0.269624 0.351732 0.037417 I\n0.269624 0.351732 0.462583 I\n0.769624 0.148269 0.962583 I\n0.769624 0.148269 0.537417 I\n0.230375 0.851732 0.037417 I\n0.730375 0.648269 0.537417 I\n",
"nsites": 36,
"nelements": 3,
"elements": [
"P",
"S",
"I"
],
"chemical_system": "I-P-S",
"density": 3.110511279578635,
"density_atomic": 0.035574549677867745,
"volume": 1011.9594014818111,
"volume_molar": 16.92822766424672,
"formula_full": "P16 S12 I8",
"formula_reduced": "P4S3I2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.2122282833333333,
"spacegroup": 62
},
{
"id": "jvasp-5518",
"created_at": "2022-09-04T14:35:40.766734Z",
"updated_at": "2022-09-04T14:35:40.766748Z",
"structure_string": "P12 Se16 I4\n1.0\n0.000000 11.302487 0.048383\n6.515072 0.000000 0.000000\n0.000000 -6.566263 -12.703941\nP Se I\n12 16 4\ndirect\n0.828168 0.148520 0.868790 P\n0.709737 0.274739 0.548619 P\n0.290264 0.774739 0.951381 P\n0.709737 0.225261 0.048619 P\n0.670379 0.606872 0.508970 P\n0.329622 0.106873 0.991030 P\n0.290264 0.725261 0.451381 P\n0.670379 0.893127 0.008970 P\n0.828168 0.351480 0.368790 P\n0.171833 0.851480 0.131210 P\n0.171833 0.648519 0.631210 P\n0.329621 0.393127 0.491030 P\n0.463171 0.827645 0.609564 Se\n0.638503 0.174197 0.272631 Se\n0.361497 0.674196 0.227369 Se\n0.361498 0.825803 0.727369 Se\n0.638503 0.325803 0.772631 Se\n0.536829 0.172354 0.390436 Se\n0.463171 0.672354 0.109564 Se\n0.536830 0.327646 0.890436 Se\n0.897420 0.207989 0.532999 Se\n0.253608 0.165759 0.111399 Se\n0.253608 0.334241 0.611399 Se\n0.746393 0.834241 0.888602 Se\n0.102581 0.707989 0.967001 Se\n0.102581 0.792010 0.467001 Se\n0.897419 0.292010 0.032999 Se\n0.746392 0.665758 0.388602 Se\n0.142714 0.236403 0.815055 I\n0.857287 0.763597 0.184945 I\n0.142714 0.263597 0.315055 I\n0.857287 0.736402 0.684945 I\n",
"nsites": 32,
"nelements": 3,
"elements": [
"P",
"Se",
"I"
],
"chemical_system": "I-P-Se",
"density": 3.8118275414414233,
"density_atomic": 0.03428311294229959,
"volume": 933.404153055115,
"volume_molar": 17.565909986457772,
"formula_full": "P12 Se16 I4",
"formula_reduced": "P3Se4I",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.0594082802083333,
"spacegroup": 14
}
]
}