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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1135",
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"results": [
{
"id": "jvasp-22611",
"created_at": "2022-09-04T14:36:59.625576Z",
"updated_at": "2022-09-04T14:36:59.625598Z",
"structure_string": "Si4 O8\n1.0\n5.051492 -0.000000 -0.000000\n-2.525746 4.374720 0.000000\n0.000000 0.000000 8.647848\nSi O\n4 8\ndirect\n0.666666 0.333333 0.936920 Si\n0.666666 0.333333 0.563080 Si\n0.333332 0.666667 0.063080 Si\n0.333332 0.666667 0.436920 Si\n-0.000000 0.406454 0.000000 O\n0.406453 0.406454 0.500000 O\n0.593546 0.000000 0.500000 O\n0.593546 0.593546 0.000000 O\n-0.000001 0.593546 0.500000 O\n0.666666 0.333333 0.750000 O\n0.333332 0.666667 0.250000 O\n0.406454 0.000000 0.000000 O\n",
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"elements": [
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"volume": 191.107608908023,
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"formula_full": "Si4 O8",
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{
"id": "jvasp-22578",
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"structure_string": "Si4 O8\n1.0\n4.977943 0.047834 -0.091091\n-2.417447 4.351799 -0.091091\n-0.042404 -0.072861 8.240652\nSi O\n4 8\ndirect\n0.204762 0.647392 0.288410 Si\n0.537204 0.307653 0.162144 Si\n0.647392 0.204761 0.788409 Si\n0.307653 0.537204 0.662143 Si\n0.558263 0.214890 0.975259 O\n0.431570 0.288042 0.670197 O\n0.583793 0.861942 0.734692 O\n0.214890 0.558263 0.475259 O\n0.861941 0.583793 0.234692 O\n0.440988 0.009102 0.271601 O\n0.288041 0.431570 0.170197 O\n0.009103 0.440988 0.771601 O\n",
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"volume": 179.40451469794448,
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"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
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"spacegroup": 9
},
{
"id": "jvasp-57499",
"created_at": "2022-09-04T14:37:10.951587Z",
"updated_at": "2022-09-04T14:37:10.951611Z",
"structure_string": "Si6 O12\n1.0\n6.038877 0.136954 0.059612\n0.060363 6.040128 0.059612\n0.135227 0.136954 6.037657\nSi O\n6 12\ndirect\n0.252652 0.504342 0.889573 Si\n0.504343 0.889573 0.252651 Si\n0.495658 0.110426 0.747349 Si\n0.889573 0.252651 0.504343 Si\n0.110427 0.747348 0.495657 Si\n0.747349 0.495657 0.110427 Si\n-0.000000 0.500000 0.500000 O\n0.751449 0.273682 0.272847 O\n0.500001 -0.000001 0.500000 O\n0.727153 0.248550 0.726318 O\n0.500000 -0.000000 -0.000000 O\n0.273683 0.272847 0.751449 O\n-0.000000 0.500000 -0.000000 O\n0.000000 -0.000000 0.500000 O\n0.726318 0.727152 0.248551 O\n0.248551 0.726317 0.727153 O\n0.272847 0.751449 0.273682 O\n0.500000 0.500000 -0.000000 O\n",
"nsites": 18,
"nelements": 2,
"elements": [
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],
"chemical_system": "O-Si",
"density": 2.7200645564130137,
"density_atomic": 0.08178814585840355,
"volume": 220.08079301813078,
"volume_molar": 7.3630973007089375,
"formula_full": "Si6 O12",
"formula_reduced": "SiO2",
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"spacegroup": 148
},
{
"id": "jvasp-8150",
"created_at": "2022-09-04T14:37:05.474771Z",
"updated_at": "2022-09-04T14:37:05.474790Z",
"structure_string": "Si2 O4\n1.0\n5.083109 0.000000 -2.442157\n-1.083838 4.054854 -2.255901\n-0.954122 -0.537284 4.525164\nSi O\n2 4\ndirect\n-0.000001 0.749999 -0.000001 Si\n-0.000000 0.250000 -0.000000 Si\n-0.001343 0.646792 0.293584 O\n0.705072 0.853207 0.706414 O\n0.294928 0.146793 0.293585 O\n0.001343 0.353208 0.706415 O\n",
"nsites": 6,
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"elements": [
"Si",
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"density": 2.6173942358747366,
"density_atomic": 0.07870100767570277,
"volume": 76.23790567871433,
"volume_molar": 7.651923320747017,
"formula_full": "Si2 O4",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.5302452000000002,
"spacegroup": 140
},
{
"id": "jvasp-7633",
"created_at": "2022-09-04T14:36:58.781711Z",
"updated_at": "2022-09-04T14:36:58.781727Z",
"structure_string": "Si1 O2\n1.0\n2.802661 -0.000000 1.618117\n0.934221 2.642375 1.618117\n0.000000 0.000000 3.236234\nSi O\n1 2\ndirect\n0.000000 0.000000 0.000000 Si\n0.750000 0.749999 0.750001 O\n0.250000 0.250000 0.250000 O\n",
"nsites": 3,
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"elements": [
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"density": 4.162988058186353,
"density_atomic": 0.1251746300311112,
"volume": 23.96651780999371,
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"formula_full": "Si1 O2",
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"spacegroup": 225
},
{
"id": "jvasp-34733",
"created_at": "2022-09-04T14:37:10.729829Z",
"updated_at": "2022-09-04T14:37:10.729865Z",
"structure_string": "Si4 O8\n1.0\n4.592410 -0.000023 1.368214\n2.167217 4.467757 1.117036\n0.028292 0.165200 8.296093\nSi O\n4 8\ndirect\n0.701114 0.061882 0.313697 Si\n0.298886 0.938119 0.686302 Si\n0.923319 0.561864 0.813693 Si\n0.076681 0.438137 0.186307 Si\n0.854595 0.283815 0.320900 O\n0.459297 0.216220 0.179103 O\n0.004309 0.249992 0.749994 O\n0.995690 0.750009 0.250005 O\n0.145405 0.716186 0.679100 O\n0.540703 0.783781 0.820896 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 12,
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"elements": [
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"chemical_system": "O-Si",
"density": 2.351911573932533,
"density_atomic": 0.0707183535042739,
"volume": 169.68720855859257,
"volume_molar": 8.515668792594344,
"formula_full": "Si4 O8",
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"formula_anonymous": "AB2",
"energy_above_hull": 1.3913818666666669,
"spacegroup": 15
},
{
"id": "jvasp-34491",
"created_at": "2022-09-04T14:37:19.830923Z",
"updated_at": "2022-09-04T14:37:19.830945Z",
"structure_string": "Si8 O16\n1.0\n4.805242 0.000000 1.129147\n2.402620 7.601787 0.564574\n0.009096 0.000000 10.750546\nSi O\n8 16\ndirect\n0.886425 0.379843 0.615971 Si\n0.113575 0.620157 0.384029 Si\n0.382239 0.120157 0.884030 Si\n0.497604 0.120157 0.615971 Si\n0.617761 0.879843 0.115971 Si\n0.502396 0.879843 0.384029 Si\n0.266268 0.620157 0.115971 Si\n0.733732 0.379843 0.884030 Si\n0.500000 -0.000000 0.500000 O\n0.423012 0.750000 0.153975 O\n0.038162 0.250000 0.923676 O\n0.498729 0.002542 0.750000 O\n0.500000 0.500000 -0.000000 O\n0.826987 0.750000 0.346025 O\n0.173013 0.250000 0.653976 O\n0.248729 0.502543 0.250000 O\n0.961838 0.750000 0.076324 O\n0.501271 0.997458 0.250000 O\n0.000000 0.500000 0.500000 O\n0.711838 0.250000 0.576324 O\n0.576988 0.250000 0.846025 O\n0.288162 0.750000 0.423676 O\n0.751271 0.497458 0.750000 O\n0.500000 -0.000000 0.000000 O\n",
"nsites": 24,
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"elements": [
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"density": 2.032941874673189,
"density_atomic": 0.061127426617657334,
"volume": 392.6224499865881,
"volume_molar": 9.85178191398039,
"formula_full": "Si8 O16",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.452821866666667,
"spacegroup": 70
},
{
"id": "jvasp-58349",
"created_at": "2022-09-04T14:37:36.448886Z",
"updated_at": "2022-09-04T14:37:36.448910Z",
"structure_string": "Si3 O6\n1.0\n2.468845 -4.276166 0.000000\n2.468845 4.276166 -0.000000\n0.000000 -0.000000 5.449830\nSi O\n3 6\ndirect\n0.465589 0.465589 0.000000 Si\n0.534413 0.000000 0.333333 Si\n0.000000 0.534413 0.666667 Si\n0.588091 0.725622 0.219406 O\n0.137532 0.411911 0.886073 O\n0.274380 0.862470 0.552739 O\n0.725622 0.588091 0.780594 O\n0.862470 0.274380 0.447261 O\n0.411911 0.137532 0.113928 O\n",
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"volume": 115.06979298118658,
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"formula_full": "Si3 O6",
"formula_reduced": "SiO2",
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"energy_above_hull": 1.3850352000000004,
"spacegroup": 152
},
{
"id": "jvasp-58385",
"created_at": "2022-09-04T14:37:30.268739Z",
"updated_at": "2022-09-04T14:37:30.268759Z",
"structure_string": "Si8 O16\n1.0\n7.071264 0.000000 0.000000\n-0.000000 7.071264 -0.000000\n0.000000 0.000000 7.071264\nSi O\n8 16\ndirect\n0.975434 0.524565 0.475434 Si\n0.524565 0.475434 0.975434 Si\n0.475434 0.975434 0.524565 Si\n0.024565 0.024565 0.024565 Si\n0.711377 0.788622 0.211377 Si\n0.788622 0.211377 0.711377 Si\n0.211377 0.711377 0.788622 Si\n0.288623 0.288623 0.288623 Si\n0.028521 0.638439 0.668963 O\n0.638439 0.668963 0.028521 O\n0.843704 0.656295 0.343705 O\n0.656295 0.343705 0.843704 O\n0.343705 0.843704 0.656295 O\n0.156295 0.156295 0.156295 O\n0.528521 0.861560 0.331036 O\n0.168963 0.471479 0.361560 O\n0.471479 0.361560 0.168963 O\n0.971478 0.138439 0.831036 O\n0.668963 0.028521 0.638439 O\n0.138439 0.831036 0.971478 O\n0.361560 0.168963 0.471479 O\n0.861560 0.331036 0.528521 O\n0.331036 0.528521 0.861560 O\n0.831036 0.971478 0.138439 O\n",
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"density": 2.257402156444883,
"density_atomic": 0.06787660108915254,
"volume": 353.58281962995164,
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"formula_full": "Si8 O16",
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"spacegroup": 198
},
{
"id": "jvasp-34502",
"created_at": "2022-09-04T14:37:20.047906Z",
"updated_at": "2022-09-04T14:37:20.047921Z",
"structure_string": "Si8 O16\n1.0\n4.514151 0.000000 0.000000\n0.000000 8.136700 0.000000\n0.000000 0.000000 9.564184\nSi O\n8 16\ndirect\n0.202063 0.168596 0.098619 Si\n0.702063 0.331404 0.598619 Si\n0.202063 0.831404 0.901380 Si\n0.297937 0.668596 0.598619 Si\n0.297937 0.331404 0.401381 Si\n0.797937 0.168596 0.901380 Si\n0.797937 0.831404 0.098619 Si\n0.702063 0.668596 0.401381 Si\n0.000000 0.000000 0.866063 O\n0.250000 0.750000 0.750000 O\n0.500000 0.788377 0.500000 O\n0.250000 0.250000 0.250000 O\n0.500000 0.500000 0.633936 O\n0.000000 0.711623 0.000000 O\n0.000000 0.650878 0.500000 O\n0.000000 0.349122 0.500000 O\n0.500000 0.849122 0.000000 O\n0.500000 0.500000 0.366063 O\n0.750000 0.750000 0.250000 O\n0.000000 0.288377 0.000000 O\n0.500000 0.150878 0.000000 O\n0.500000 0.211623 0.500000 O\n0.000000 0.000000 0.133937 O\n0.750000 0.250000 0.750000 O\n",
"nsites": 24,
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"density_atomic": 0.06831859603134516,
"volume": 351.295275286228,
"volume_molar": 8.814789983735894,
"formula_full": "Si8 O16",
"formula_reduced": "SiO2",
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"energy_above_hull": 1.4732485333333338,
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},
{
"id": "jvasp-51622",
"created_at": "2022-09-04T14:38:34.309986Z",
"updated_at": "2022-09-04T14:38:34.310011Z",
"structure_string": "Si3 O6\n1.0\n2.285250 -3.958168 0.000000\n2.285250 3.958168 -0.000000\n0.000000 -0.000000 6.773493\nSi O\n3 6\ndirect\n0.915155 -0.000000 0.666667 Si\n0.084845 0.084845 0.000000 Si\n-0.000000 0.915155 0.333333 Si\n0.119014 0.462566 0.921019 O\n0.537434 0.656448 0.587686 O\n0.462566 0.119014 0.078981 O\n0.343552 0.880986 0.254353 O\n0.880986 0.343552 0.745646 O\n0.656448 0.537434 0.412314 O\n",
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"volume": 122.53795352218609,
"volume_molar": 8.19934227281047,
"formula_full": "Si3 O6",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
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"spacegroup": 154
},
{
"id": "jvasp-34447",
"created_at": "2022-09-04T14:38:30.073542Z",
"updated_at": "2022-09-04T14:38:30.073569Z",
"structure_string": "Si4 O8\n1.0\n5.343226 0.029706 -0.598552\n-1.065465 5.236004 -0.598552\n-0.016440 -0.020237 5.485653\nSi O\n4 8\ndirect\n0.954991 0.051856 0.501790 Si\n0.372738 0.527856 0.084583 Si\n0.527857 0.372737 0.584583 Si\n0.051856 0.954989 0.001790 Si\n0.566894 0.484255 0.879934 O\n0.874063 0.898483 0.220142 O\n0.273731 0.787135 0.029130 O\n0.151780 0.265943 0.034892 O\n0.898485 0.874061 0.720142 O\n0.787136 0.273730 0.529130 O\n0.484257 0.566893 0.379934 O\n0.265944 0.151779 0.534892 O\n",
"nsites": 12,
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"density": 2.599630295630359,
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"volume": 153.51771766472902,
"volume_molar": 7.704210874424471,
"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4116585333333336,
"spacegroup": 9
}
]
}