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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=3509",
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"results": [
{
"id": "jvasp-58885",
"created_at": "2022-09-04T14:37:02.502467Z",
"updated_at": "2022-09-04T14:37:02.502488Z",
"structure_string": "Si4 H12 I4\n1.0\n0.000000 4.512711 -0.072827\n8.335815 0.000000 0.000000\n0.000000 -2.392822 -10.213925\nSi H I\n4 12 4\ndirect\n0.558681 0.928522 0.290823 Si\n0.441319 0.428521 0.209177 Si\n0.441319 0.071479 0.709177 Si\n0.558681 0.571479 0.790823 Si\n0.778817 0.013691 0.227206 H\n0.221183 0.513691 0.272794 H\n0.221183 0.986310 0.772794 H\n0.778817 0.486310 0.727206 H\n0.411730 0.462391 0.871333 H\n0.588270 0.962391 0.628667 H\n0.588270 0.537609 0.128667 H\n0.411730 0.037609 0.371333 H\n0.333830 0.667523 0.696857 H\n0.666171 0.167523 0.803143 H\n0.666171 0.332477 0.303143 H\n0.333829 0.832477 0.196857 H\n0.863748 0.730207 0.443318 I\n0.136252 0.230206 0.056682 I\n0.136252 0.269794 0.556682 I\n0.863748 0.769794 0.943318 I\n",
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"volume_molar": 11.612828253242688,
"formula_full": "Si4 H12 I4",
"formula_reduced": "SiH3I",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.222342975,
"spacegroup": 14
},
{
"id": "jvasp-13401",
"created_at": "2022-09-04T14:37:08.017234Z",
"updated_at": "2022-09-04T14:37:08.017266Z",
"structure_string": "Si4 H12 I4\n1.0\n0.000000 4.512955 -0.072487\n8.337932 0.000000 0.000000\n0.000000 -2.393692 -10.212006\nSi H I\n4 12 4\ndirect\n0.558714 0.928701 0.290733 Si\n0.441287 0.428701 0.209268 Si\n0.441288 0.071299 0.709268 Si\n0.558714 0.571299 0.790733 Si\n0.778773 0.013758 0.227032 H\n0.221228 0.513758 0.272969 H\n0.221228 0.986242 0.772969 H\n0.778774 0.486242 0.727032 H\n0.411962 0.462136 0.871246 H\n0.588040 0.962136 0.628755 H\n0.588040 0.537864 0.128755 H\n0.411962 0.037864 0.371245 H\n0.333746 0.667311 0.696773 H\n0.666257 0.167311 0.803228 H\n0.666256 0.332689 0.303228 H\n0.333745 0.832689 0.196772 H\n0.863816 0.730459 0.443291 I\n0.136185 0.230459 0.056710 I\n0.136186 0.269540 0.556710 I\n0.863816 0.769540 0.943291 I\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"H",
"I"
],
"chemical_system": "H-I-Si",
"density": 2.721082125518028,
"density_atomic": 0.05185224525357078,
"volume": 385.711359309416,
"volume_molar": 11.614040492461198,
"formula_full": "Si4 H12 I4",
"formula_reduced": "SiH3I",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.222342975,
"spacegroup": 14
},
{
"id": "jvasp-5281",
"created_at": "2022-09-04T14:35:42.952146Z",
"updated_at": "2022-09-04T14:35:42.952162Z",
"structure_string": "Si4 H16\n1.0\n0.000000 7.393492 0.065426\n4.740377 0.000000 0.000000\n0.000000 -1.824042 -7.267587\nSi H\n4 16\ndirect\n0.248508 0.063323 0.846100 Si\n0.751492 0.563323 0.653900 Si\n0.751492 0.936678 0.153899 Si\n0.248508 0.436677 0.346100 Si\n0.589230 0.089986 0.193884 H\n0.410769 0.589986 0.306116 H\n0.300602 0.365469 0.888371 H\n0.699399 0.865469 0.611630 H\n0.699398 0.634532 0.111629 H\n0.300601 0.134532 0.388370 H\n0.085285 0.046200 0.681317 H\n0.914715 0.953800 0.318683 H\n0.589231 0.410015 0.693884 H\n0.085285 0.453800 0.181317 H\n0.198136 0.568988 0.508162 H\n0.801864 0.068987 0.991838 H\n0.801864 0.431013 0.491838 H\n0.198136 0.931013 0.008162 H\n0.914715 0.546201 0.818683 H\n0.410770 0.910015 0.806116 H\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Si",
"H"
],
"chemical_system": "H-Si",
"density": 0.8393836025485371,
"density_atomic": 0.07869423182316994,
"volume": 254.14823344284048,
"volume_molar": 7.652582178490624,
"formula_full": "Si4 H16",
"formula_reduced": "SiH4",
"formula_anonymous": "AB4",
"energy_above_hull": 2.85785172,
"spacegroup": 14
},
{
"id": "jvasp-85507",
"created_at": "2022-09-04T14:36:16.074506Z",
"updated_at": "2022-09-04T14:36:16.074531Z",
"structure_string": "Si4 H4 O10\n1.0\n-2.774550 8.452673 3.775737\n2.774550 -7.598499 1.165384\n2.774550 7.598499 -1.165384\nSi H O\n4 4 10\ndirect\n0.415944 -0.092756 0.687486 Si\n0.439113 0.947551 0.306198 Si\n0.939113 0.132915 -0.008439 Si\n-0.084058 0.728457 0.008701 Si\n0.627263 0.742345 0.465957 H\n0.382601 0.307404 0.567239 H\n0.882601 0.815362 0.575196 H\n0.127263 0.161307 0.384920 H\n0.525512 0.320384 0.462652 O\n0.453319 0.657129 0.542546 O\n0.608799 0.318310 0.934851 O\n0.634223 0.930992 0.057551 O\n0.469955 0.957044 0.487489 O\n0.108798 0.673948 0.790489 O\n0.969955 0.982466 0.012911 O\n0.025512 0.062858 0.705128 O\n0.134223 0.576672 0.203231 O\n-0.046680 -0.089226 0.296190 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Si",
"H",
"O"
],
"chemical_system": "H-O-Si",
"density": 2.145833829642472,
"density_atomic": 0.08416511417054086,
"volume": 213.8653309912611,
"volume_molar": 7.155150705074248,
"formula_full": "Si4 H4 O10",
"formula_reduced": "Si2H2O5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 2.8362794111111107,
"spacegroup": 9
},
{
"id": "jvasp-85506",
"created_at": "2022-09-04T14:36:09.637440Z",
"updated_at": "2022-09-04T14:36:09.637469Z",
"structure_string": "Si4 H4 O10\n1.0\n-2.966908 7.440828 2.497535\n2.966908 -7.440828 2.497535\n3.035813 7.472229 -2.497535\nSi H O\n4 4 10\ndirect\n0.573208 0.073589 0.690707 Si\n0.382882 0.882501 0.309292 Si\n0.858083 0.055885 0.007649 Si\n0.048236 0.850433 -0.007649 Si\n0.426302 0.550768 0.441571 H\n0.109196 -0.015272 0.558428 H\n0.754422 0.889108 0.678151 H\n0.210957 0.076271 0.321849 H\n0.246082 0.017088 0.435192 O\n0.581897 0.810890 0.564808 O\n0.853334 0.460931 0.887966 O\n0.572967 0.965368 0.112034 O\n0.589570 0.089569 0.500000 O\n0.285057 0.955168 0.815516 O\n0.845852 0.845852 0.000000 O\n0.872808 0.936763 0.738557 O\n0.139652 0.469541 0.184484 O\n0.198205 0.134249 0.261442 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Si",
"H",
"O"
],
"chemical_system": "H-O-Si",
"density": 2.052676706067422,
"density_atomic": 0.08051125251863482,
"volume": 223.5712330501105,
"volume_molar": 7.479874640636276,
"formula_full": "Si4 H4 O10",
"formula_reduced": "Si2H2O5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 2.835403855555555,
"spacegroup": 5
},
{
"id": "jvasp-85508",
"created_at": "2022-09-04T14:35:42.869843Z",
"updated_at": "2022-09-04T14:35:42.869872Z",
"structure_string": "Si4 H4 O10\n1.0\n-3.243161 7.093933 1.784433\n3.106665 -7.509089 2.949878\n3.080188 7.490250 -3.083996\nSi H O\n4 4 10\ndirect\n0.654219 0.139425 0.717155 Si\n0.356979 0.880144 0.325852 Si\n0.844179 0.055065 0.017918 Si\n0.156335 0.958400 0.000217 Si\n0.140140 0.613421 0.484873 H\n0.667995 0.841886 0.647433 H\n0.464554 0.457156 0.657679 H\n0.166779 0.043701 0.325788 H\n0.308973 0.096263 0.462756 O\n0.730813 -0.049933 0.589809 O\n0.926966 0.518167 0.764610 O\n0.698913 0.069332 0.251478 O\n0.352220 0.847430 0.510624 O\n0.510412 0.175686 0.949323 O\n0.067220 0.051965 -0.027313 O\n0.576587 0.721385 0.786954 O\n0.069695 0.444404 0.102478 O\n0.116615 0.054561 0.251637 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Si",
"H",
"O"
],
"chemical_system": "H-O-Si",
"density": 2.167035146529355,
"density_atomic": 0.08499668427242876,
"volume": 211.77296684076467,
"volume_molar": 7.085147863766096,
"formula_full": "Si4 H4 O10",
"formula_reduced": "Si2H2O5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 2.846526077777777,
"spacegroup": 1
},
{
"id": "jvasp-20090",
"created_at": "2022-09-04T14:35:46.255355Z",
"updated_at": "2022-09-04T14:35:46.255374Z",
"structure_string": "Si4 Ir4\n1.0\n3.415589 -0.000000 0.000000\n-0.000000 5.556173 0.000000\n0.000000 0.000000 6.215629\nSi Ir\n4 4\ndirect\n0.250000 0.682596 0.070834 Si\n0.750000 0.317404 0.929166 Si\n0.250000 0.182596 0.429166 Si\n0.750000 0.817403 0.570834 Si\n0.250000 0.499521 0.706160 Ir\n0.750000 0.500478 0.293840 Ir\n0.250000 -0.000478 0.793840 Ir\n0.750000 0.000478 0.206160 Ir\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"Ir"
],
"chemical_system": "Ir-Si",
"density": 12.405151260113433,
"density_atomic": 0.0678208981407938,
"volume": 117.95774192480144,
"volume_molar": 8.879476570036346,
"formula_full": "Si4 Ir4",
"formula_reduced": "SiIr",
"formula_anonymous": "AB",
"energy_above_hull": 2.27905485,
"spacegroup": 62
},
{
"id": "jvasp-111009",
"created_at": "2022-09-04T14:38:36.282755Z",
"updated_at": "2022-09-04T14:38:36.282781Z",
"structure_string": "Si4 Mo1 W1\n1.0\n3.239042 0.000000 0.000000\n0.000000 3.239042 0.000000\n0.000000 0.000000 7.890055\nSi Mo W\n4 1 1\ndirect\n0.500000 0.500000 0.163944 Si\n0.000000 0.000000 0.665138 Si\n0.000000 0.000000 0.334862 Si\n0.500000 0.500000 0.836057 Si\n0.000000 0.000000 0.000000 Mo\n0.500000 0.500000 0.500000 W\n",
"nsites": 6,
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"elements": [
"Si",
"Mo",
"W"
],
"chemical_system": "Mo-Si-W",
"density": 7.866057505350927,
"density_atomic": 0.0724833172428703,
"volume": 82.77766841017724,
"volume_molar": 8.308312849178213,
"formula_full": "Si4 Mo1 W1",
"formula_reduced": "Si4MoW",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.85227505,
"spacegroup": 123
},
{
"id": "jvasp-9840",
"created_at": "2022-09-04T14:38:09.649405Z",
"updated_at": "2022-09-04T14:38:09.649443Z",
"structure_string": "Si4 Mo2 O12\n1.0\n5.226024 0.121577 1.208086\n1.415580 6.418691 0.655216\n0.189476 0.023723 6.602749\nSi Mo O\n4 2 12\ndirect\n0.233777 0.218110 0.392606 Si\n0.266228 0.607393 0.781889 Si\n0.733777 0.392606 0.218111 Si\n0.766229 0.781889 0.607394 Si\n0.249999 0.093726 0.906272 Mo\n0.749998 0.906273 0.093726 Mo\n0.649671 0.953157 0.798456 O\n0.850324 0.201546 0.046842 O\n0.697400 0.624456 0.103472 O\n0.802581 0.896533 0.375547 O\n0.302582 0.375545 0.896533 O\n0.548754 0.640824 0.639421 O\n0.951262 0.360595 0.359163 O\n0.350324 0.046841 0.201547 O\n0.048754 0.639419 0.640825 O\n0.451263 0.359163 0.360594 O\n0.197402 0.103470 0.624456 O\n0.149673 0.798455 0.953158 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"Mo",
"O"
],
"chemical_system": "Mo-O-Si",
"density": 3.7650118712986678,
"density_atomic": 0.082246995913384,
"volume": 218.85297815565409,
"volume_molar": 7.322019112214189,
"formula_full": "Si4 Mo2 O12",
"formula_reduced": "Si2MoO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.2355649000000004,
"spacegroup": 15
},
{
"id": "jvasp-9603",
"created_at": "2022-09-04T14:37:58.149874Z",
"updated_at": "2022-09-04T14:37:58.149907Z",
"structure_string": "Si4 N4 O2\n1.0\n4.893879 -0.000000 0.000000\n0.000000 4.712626 -2.349608\n0.000000 -0.013274 5.265865\nSi N O\n4 4 2\ndirect\n0.728762 0.024405 0.671499 Si\n0.228762 0.975597 0.328500 Si\n0.228762 0.328502 0.975595 Si\n0.728762 0.671500 0.024404 Si\n0.383528 0.092728 0.658982 N\n0.883528 0.907274 0.341017 N\n0.883528 0.341018 0.907272 N\n0.383528 0.658983 0.092727 N\n0.782700 0.783899 0.783897 O\n0.282699 0.216103 0.216102 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"N",
"O"
],
"chemical_system": "N-O-Si",
"density": 2.7430696369109797,
"density_atomic": 0.08244422488300841,
"volume": 121.29412356281343,
"volume_molar": 7.304502854560951,
"formula_full": "Si4 N4 O2",
"formula_reduced": "Si2N2O",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.69878744,
"spacegroup": 36
},
{
"id": "jvasp-100354",
"created_at": "2022-09-04T14:36:38.071170Z",
"updated_at": "2022-09-04T14:36:38.071190Z",
"structure_string": "Si4 Ni2 Pd2\n1.0\n3.412091 0.000000 0.000000\n0.000000 5.457503 0.000000\n0.000000 0.000000 5.945829\nSi Ni Pd\n4 2 2\ndirect\n0.500000 0.321774 0.692597 Si\n0.500000 0.821773 0.307403 Si\n0.000000 0.682551 0.848817 Si\n0.000000 0.182552 0.151183 Si\n0.500000 0.494579 0.053268 Ni\n0.500000 0.994579 0.946732 Ni\n0.000000 0.501095 0.434067 Pd\n0.000000 0.001095 0.565933 Pd\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Ni",
"Pd"
],
"chemical_system": "Ni-Pd-Si",
"density": 6.637474845666917,
"density_atomic": 0.07225418118110243,
"volume": 110.7202361057597,
"volume_molar": 8.334660585116488,
"formula_full": "Si4 Ni2 Pd2",
"formula_reduced": "Si2NiPd",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.130548825,
"spacegroup": 26
},
{
"id": "jvasp-14672",
"created_at": "2022-09-04T14:36:31.916812Z",
"updated_at": "2022-09-04T14:36:31.916843Z",
"structure_string": "Si4 Ni4\n1.0\n3.371982 -0.000000 0.000000\n-0.000000 5.209392 0.000000\n0.000000 0.000000 5.663501\nSi Ni\n4 4\ndirect\n0.750000 0.817904 0.582946 Si\n0.250000 0.182095 0.417054 Si\n0.750000 0.317905 0.917054 Si\n0.250000 0.682095 0.082946 Si\n0.250000 0.506773 0.690317 Ni\n0.750000 0.493226 0.309683 Ni\n0.250000 0.006774 0.809683 Ni\n0.750000 0.993226 0.190317 Ni\n",
"nsites": 8,
"nelements": 2,
"elements": [
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],
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"density": 5.793832847392682,
"density_atomic": 0.08041419506116813,
"volume": 99.48492295315141,
"volume_molar": 7.4889026190204095,
"formula_full": "Si4 Ni4",
"formula_reduced": "SiNi",
"formula_anonymous": "AB",
"energy_above_hull": 1.1737304999999998,
"spacegroup": 62
}
]
}