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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3833",
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"results": [
{
"id": "jvasp-10995",
"created_at": "2022-09-04T14:36:39.384755Z",
"updated_at": "2022-09-04T14:36:39.384780Z",
"structure_string": "Mg2 Se2 O8\n1.0\n4.947814 0.005498 -0.000000\n-1.903113 4.567171 0.000000\n0.000000 0.000000 6.518990\nMg Se O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.353265 0.646735 0.750000 Se\n0.646735 0.353265 0.250000 Se\n0.225954 0.276336 0.750000 O\n0.774046 0.723664 0.250000 O\n0.276336 0.225954 0.250000 O\n0.723664 0.774046 0.750000 O\n0.245881 0.754119 0.963032 O\n0.754119 0.245881 0.463032 O\n0.754119 0.245881 0.036968 O\n0.245881 0.754119 0.536968 O\n",
"nsites": 12,
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"elements": [
"Mg",
"Se",
"O"
],
"chemical_system": "Mg-O-Se",
"density": 3.769085067749963,
"density_atomic": 0.08142152814406213,
"volume": 147.3811690044426,
"volume_molar": 7.39625120931752,
"formula_full": "Mg2 Se2 O8",
"formula_reduced": "MgSeO4",
"formula_anonymous": "ABC4",
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"spacegroup": 63
},
{
"id": "jvasp-87136",
"created_at": "2022-09-04T14:36:08.203164Z",
"updated_at": "2022-09-04T14:36:08.203189Z",
"structure_string": "Mg4 Si8 O20\n1.0\n5.364399 0.000000 0.018543\n0.000000 6.970396 0.000000\n-0.029446 0.000000 7.682819\nMg Si O\n4 8 20\ndirect\n0.000090 0.847549 0.655915 Mg\n0.999909 0.347549 0.844085 Mg\n0.999909 0.152451 0.344085 Mg\n0.000091 0.652452 0.155914 Mg\n0.754986 0.000090 0.000023 Si\n0.245014 0.999910 0.999976 Si\n0.754986 0.499910 0.500023 Si\n0.245014 0.500091 0.499976 Si\n0.499924 0.114630 0.647221 Si\n0.499924 0.385370 0.147221 Si\n0.500076 0.885370 0.352778 Si\n0.500075 0.614630 0.852778 Si\n0.287483 0.000229 0.499632 O\n0.499857 0.153215 0.078802 O\n0.500143 0.653215 0.421198 O\n0.000139 0.152834 0.067936 O\n0.999861 0.652834 0.432064 O\n0.999860 0.847167 0.932064 O\n0.000139 0.347166 0.567936 O\n0.712516 0.500230 0.000368 O\n0.287483 0.499771 0.999632 O\n0.738513 0.619126 0.702458 O\n0.261893 0.880198 0.202115 O\n0.738107 0.380198 0.297884 O\n0.738107 0.119802 0.797885 O\n0.261892 0.619802 0.702115 O\n0.499857 0.346786 0.578802 O\n0.261486 0.119125 0.797542 O\n0.261487 0.380875 0.297542 O\n0.738513 0.880875 0.202458 O\n0.712516 0.999771 0.500368 O\n0.500142 0.846786 0.921198 O\n",
"nsites": 32,
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"elements": [
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],
"chemical_system": "Mg-O-Si",
"density": 3.7102756863074107,
"density_atomic": 0.11138971639625542,
"volume": 287.2796613123951,
"volume_molar": 5.406370493463655,
"formula_full": "Mg4 Si8 O20",
"formula_reduced": "MgSi2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.18679171875,
"spacegroup": 55
},
{
"id": "jvasp-87304",
"created_at": "2022-09-04T14:35:44.657378Z",
"updated_at": "2022-09-04T14:35:44.657401Z",
"structure_string": "Mg8 Si8 O24\n1.0\n5.492348 0.000000 0.000000\n0.000000 8.434219 0.000000\n0.000000 0.000000 9.549996\nMg Si O\n8 8 24\ndirect\n-0.017602 0.892924 0.694681 Mg\n0.942592 0.625364 0.537172 Mg\n0.017602 0.107076 0.194681 Mg\n0.517602 0.392924 0.194681 Mg\n0.057408 0.374636 0.037172 Mg\n0.557408 0.125364 0.037172 Mg\n0.482398 0.607076 0.694681 Mg\n0.442592 0.874636 0.537172 Mg\n0.254361 0.835943 0.964610 Si\n0.245639 0.335943 0.464610 Si\n0.745639 0.164057 0.464610 Si\n0.754362 0.664057 0.964610 Si\n0.285058 0.180878 0.756271 Si\n0.714943 0.819123 0.256271 Si\n0.785058 0.319123 0.756271 Si\n0.214942 0.680878 0.256271 Si\n0.025596 0.210910 0.405166 O\n0.245496 0.545215 0.136799 O\n0.529584 0.258889 0.840190 O\n0.765530 0.154377 0.635565 O\n0.745496 0.954785 0.136799 O\n0.322854 0.008005 0.900266 O\n0.789492 0.272770 0.129281 O\n0.234470 0.845624 0.135565 O\n0.254505 0.045215 0.636799 O\n0.474404 0.710910 0.905167 O\n0.029584 0.241111 0.840190 O\n0.210509 0.727230 0.629281 O\n0.734470 0.654376 0.135565 O\n0.525596 0.289090 0.405166 O\n0.470416 0.741111 0.340190 O\n0.677146 0.991995 0.400266 O\n0.710509 0.772770 0.629281 O\n0.970417 0.758890 0.340190 O\n0.265530 0.345623 0.635565 O\n0.822855 0.491995 0.900266 O\n0.177146 0.508005 0.400266 O\n0.289492 0.227230 0.129281 O\n-0.025596 0.789090 0.905167 O\n0.754505 0.454785 0.636799 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 3.014517468089157,
"density_atomic": 0.0904177886683725,
"volume": 442.3908236321612,
"volume_molar": 6.660349527113023,
"formula_full": "Mg8 Si8 O24",
"formula_reduced": "MgSiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.47031563,
"spacegroup": 33
},
{
"id": "jvasp-8153",
"created_at": "2022-09-04T14:37:00.930395Z",
"updated_at": "2022-09-04T14:37:00.930423Z",
"structure_string": "Mg2 Si1 O4\n1.0\n3.323575 0.000000 -1.058240\n-0.336948 3.306451 -1.058240\n0.048346 0.053522 5.900074\nMg Si O\n2 1 4\ndirect\n0.650356 0.650355 0.300711 Mg\n0.349646 0.349644 0.699289 Mg\n0.000000 0.000000 0.000000 Si\n0.832590 0.832588 0.665176 O\n0.167412 0.167411 0.334824 O\n-0.000000 0.500000 -0.000000 O\n0.500001 -0.000000 0.000000 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
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],
"chemical_system": "Mg-O-Si",
"density": 3.5824680733882377,
"density_atomic": 0.10733922921254757,
"volume": 65.2138090738379,
"volume_molar": 5.610381967691672,
"formula_full": "Mg2 Si1 O4",
"formula_reduced": "Mg2SiO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.423132957142857,
"spacegroup": 139
},
{
"id": "jvasp-59285",
"created_at": "2022-09-04T14:38:02.279648Z",
"updated_at": "2022-09-04T14:38:02.279669Z",
"structure_string": "Mg8 Si8 O24\n1.0\n5.362356 -0.000000 0.000000\n-0.000000 8.773154 0.000000\n0.000000 0.000000 9.342601\nMg Si O\n8 8 24\ndirect\n0.250000 0.904301 0.000000 Mg\n0.750001 0.595699 0.500000 Mg\n0.750001 0.095699 0.000000 Mg\n0.250000 0.404301 0.500000 Mg\n0.750001 0.736915 0.000000 Mg\n0.250000 0.763084 0.500000 Mg\n0.250000 0.263085 0.000000 Mg\n0.750001 0.236915 0.500000 Mg\n0.933683 0.408399 0.207776 Si\n0.433682 0.091601 0.292224 Si\n0.066318 0.091601 0.707776 Si\n0.566318 0.408399 0.792224 Si\n0.566318 0.908398 0.707776 Si\n0.433682 0.591601 0.207776 Si\n0.933683 0.908398 0.292224 Si\n0.066318 0.591601 0.792224 Si\n0.069851 0.750730 0.877399 O\n0.578605 0.406002 0.617804 O\n0.078604 0.093998 0.882196 O\n0.078604 0.593998 0.617804 O\n0.578605 0.906001 0.882196 O\n0.421396 0.593998 0.382196 O\n0.921397 0.906001 0.117804 O\n0.930149 0.749269 0.377399 O\n0.430149 0.750730 0.122601 O\n0.569852 0.749269 0.622601 O\n0.069851 0.250730 0.622601 O\n0.288411 0.973779 0.650088 O\n0.430149 0.250730 0.377399 O\n0.930149 0.249270 0.122601 O\n0.711589 0.026220 0.349911 O\n0.211589 0.473779 0.150088 O\n0.788412 0.026220 0.650088 O\n0.288411 0.473779 0.849911 O\n0.421396 0.093998 0.117804 O\n0.788412 0.526220 0.849911 O\n0.211589 0.973779 0.349911 O\n0.711589 0.526220 0.150088 O\n0.569852 0.249270 0.877399 O\n0.921397 0.406002 0.382196 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
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"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 3.03420358737088,
"density_atomic": 0.09100825642706276,
"volume": 439.5205618740473,
"volume_molar": 6.617136726299505,
"formula_full": "Mg8 Si8 O24",
"formula_reduced": "MgSiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.42321363,
"spacegroup": 60
},
{
"id": "jvasp-29390",
"created_at": "2022-09-04T14:38:03.870427Z",
"updated_at": "2022-09-04T14:38:03.870454Z",
"structure_string": "Mg8 Si8 O24\n1.0\n4.979775 0.000000 -1.673245\n0.000000 8.924212 0.000000\n-0.571764 0.000000 9.845198\nMg Si O\n8 8 24\ndirect\n0.691859 0.843202 0.278647 Mg\n0.191858 0.656797 0.278647 Mg\n0.349599 0.510955 0.767143 Mg\n0.308143 0.156797 0.721353 Mg\n0.808143 0.343203 0.721353 Mg\n0.650403 0.489045 0.232857 Mg\n0.150403 0.010955 0.232857 Mg\n0.849599 0.989045 0.767143 Mg\n0.242723 0.834332 0.569455 Si\n0.757278 0.165667 0.430545 Si\n0.292302 0.211430 0.985917 Si\n0.207699 0.711430 0.014083 Si\n0.742724 0.665667 0.569455 Si\n0.792302 0.288569 0.985917 Si\n0.257278 0.334332 0.430545 Si\n0.707700 0.788569 0.014083 Si\n0.463789 0.685293 0.618716 O\n0.889705 0.769733 0.906916 O\n0.110297 0.230267 0.093084 O\n0.289379 0.830459 0.150530 O\n0.765825 0.947093 0.100213 O\n0.111780 0.842579 0.390886 O\n0.388221 0.342579 0.609114 O\n0.568947 0.027457 0.348364 O\n0.610297 0.269733 0.093084 O\n0.036213 0.185293 0.381285 O\n0.710622 0.169541 0.849470 O\n0.963789 0.814706 0.618715 O\n0.536213 0.314706 0.381284 O\n0.931055 0.527457 0.651635 O\n0.234177 0.052907 0.899787 O\n0.431054 0.972542 0.651636 O\n0.888221 0.157421 0.609114 O\n0.789380 0.669541 0.150530 O\n0.068947 0.472543 0.348365 O\n0.734177 0.447093 0.899786 O\n0.611781 0.657421 0.390886 O\n0.210622 0.330459 0.849470 O\n0.389704 0.730267 0.906916 O\n0.265824 0.552907 0.100214 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
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],
"chemical_system": "Mg-O-Si",
"density": 3.108696910331877,
"density_atomic": 0.093242617847752,
"volume": 428.98838453155213,
"volume_molar": 6.458571090135035,
"formula_full": "Mg8 Si8 O24",
"formula_reduced": "MgSiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.44345163,
"spacegroup": 14
},
{
"id": "jvasp-35175",
"created_at": "2022-09-04T14:37:58.637618Z",
"updated_at": "2022-09-04T14:37:58.637640Z",
"structure_string": "Mg8 Si4 O16\n1.0\n5.076796 0.006411 0.002084\n-1.745306 5.489846 0.000917\n-1.585459 -0.886856 9.834503\nMg Si O\n8 4 16\ndirect\n0.012685 0.315527 0.888471 Mg\n0.974200 0.986685 0.079496 Mg\n0.992755 0.267170 0.340922 Mg\n0.493461 0.151104 0.483983 Mg\n0.447403 0.851106 0.205850 Mg\n0.994156 0.035054 0.627051 Mg\n0.539486 0.451110 0.762118 Mg\n0.493454 0.651107 0.483985 Mg\n0.611842 0.399859 0.089437 Si\n0.375047 0.902362 0.878534 Si\n0.984200 0.756067 0.354621 Si\n0.002705 0.546158 0.613352 Si\n0.759528 0.939062 0.414295 O\n0.716456 0.978292 0.904451 O\n0.227375 0.363163 0.553678 O\n0.782653 0.479859 0.433860 O\n0.250529 0.838240 0.017703 O\n0.204253 0.822364 0.534112 O\n0.207420 0.602002 0.311545 O\n0.199577 0.028871 0.304767 O\n0.787327 0.273351 0.663206 O\n0.262246 0.112663 0.798747 O\n0.736364 0.463983 0.950268 O\n0.240799 0.625615 0.775851 O\n0.779483 0.700222 0.656426 O\n0.724651 0.189559 0.169226 O\n0.746101 0.676609 0.192121 O\n0.270440 0.323931 0.063521 O\n",
"nsites": 28,
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"elements": [
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],
"chemical_system": "Mg-O-Si",
"density": 3.4077279527115327,
"density_atomic": 0.10210360129299278,
"volume": 274.23126751085124,
"volume_molar": 5.898068906227003,
"formula_full": "Mg8 Si4 O16",
"formula_reduced": "Mg2SiO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.3860043857142856,
"spacegroup": 2
},
{
"id": "jvasp-118709",
"created_at": "2022-09-04T14:38:48.482987Z",
"updated_at": "2022-09-04T14:38:48.483004Z",
"structure_string": "Mg1 Si1 O3\n1.0\n3.518575 -0.000000 -0.000000\n0.000000 3.518575 0.000000\n-0.000000 0.000000 3.518575\nMg Si O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Si\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
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],
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"density": 3.826779949808507,
"density_atomic": 0.11478088431893511,
"volume": 43.561260480506355,
"volume_molar": 5.24664084593269,
"formula_full": "Mg1 Si1 O3",
"formula_reduced": "MgSiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.51215763,
"spacegroup": 221
},
{
"id": "jvasp-54286",
"created_at": "2022-09-04T14:36:43.770065Z",
"updated_at": "2022-09-04T14:36:43.770081Z",
"structure_string": "Mg4 Si4 O12\n1.0\n4.771624 -0.435988 1.009782\n1.040501 6.184661 0.818788\n-0.650531 0.331725 6.282504\nMg Si O\n4 4 12\ndirect\n0.749999 0.887583 0.112416 Mg\n0.750000 0.299290 0.700708 Mg\n0.250000 0.112415 0.887583 Mg\n0.250000 0.700708 0.299291 Mg\n0.472322 0.671474 0.830319 Si\n0.527677 0.328525 0.169681 Si\n0.027678 0.169681 0.328525 Si\n0.972322 0.830318 0.671474 Si\n0.803184 0.600423 0.711309 O\n0.422166 0.384342 0.895442 O\n0.577834 0.615657 0.104558 O\n0.922165 0.895441 0.384343 O\n0.196815 0.399576 0.288690 O\n0.696815 0.288690 0.399576 O\n0.868554 0.200589 0.062167 O\n0.077835 0.104557 0.615657 O\n0.303185 0.711309 0.600424 O\n0.368554 0.062167 0.200589 O\n0.131446 0.799410 0.937833 O\n0.631445 0.937832 0.799410 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"Si",
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],
"chemical_system": "Mg-O-Si",
"density": 3.48016022865973,
"density_atomic": 0.10438433195959965,
"volume": 191.5996359275518,
"volume_molar": 5.76919988560235,
"formula_full": "Mg4 Si4 O12",
"formula_reduced": "MgSiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.45917563,
"spacegroup": 15
},
{
"id": "jvasp-118707",
"created_at": "2022-09-04T14:38:53.513746Z",
"updated_at": "2022-09-04T14:38:53.513771Z",
"structure_string": "Mg1 Si1 O1\n1.0\n2.703482 1.659558 0.000000\n0.082200 5.910671 0.000000\n0.000000 0.000000 3.110380\nMg Si O\n1 1 1\ndirect\n0.009190 -0.160482 0.000000 Mg\n-0.061959 0.410782 0.000000 Si\n0.275994 0.073281 0.000000 O\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Mg-O-Si",
"density": 2.3045748816417184,
"density_atomic": 0.06087949098040591,
"volume": 49.27767876649217,
"volume_molar": 9.891903928595966,
"formula_full": "Mg1 Si1 O1",
"formula_reduced": "MgSiO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.9939503833333332,
"spacegroup": 25
},
{
"id": "jvasp-35176",
"created_at": "2022-09-04T14:38:06.184609Z",
"updated_at": "2022-09-04T14:38:06.184625Z",
"structure_string": "Mg4 Si2 O8\n1.0\n2.789760 -0.000000 -0.000000\n-1.394880 4.725107 0.000000\n0.000000 0.000000 9.434973\nMg Si O\n4 2 8\ndirect\n0.138539 0.277078 0.853658 Mg\n0.861461 0.722923 0.353658 Mg\n0.609285 0.218569 0.185059 Mg\n0.390715 0.781431 0.685059 Mg\n0.126993 0.253986 0.499298 Si\n0.873007 0.746015 0.999298 Si\n0.494197 0.988395 0.937628 O\n0.505803 0.011605 0.437628 O\n0.251724 0.503447 0.045871 O\n0.748276 0.496554 0.545870 O\n0.794212 0.588424 0.826396 O\n0.205788 0.411576 0.326396 O\n0.044672 0.089343 0.662889 O\n0.955328 0.910658 0.162890 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
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],
"chemical_system": "Mg-O-Si",
"density": 3.756926855645451,
"density_atomic": 0.11256642756665262,
"volume": 124.37100743656758,
"volume_molar": 5.349855094614405,
"formula_full": "Mg4 Si2 O8",
"formula_reduced": "Mg2SiO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.396152957142857,
"spacegroup": 36
},
{
"id": "jvasp-53365",
"created_at": "2022-09-04T14:38:07.912187Z",
"updated_at": "2022-09-04T14:38:07.912217Z",
"structure_string": "Mg4 Si2 O8\n1.0\n5.004587 -0.027449 2.969133\n1.678273 4.746875 2.906854\n0.069051 -0.027449 5.818666\nMg Si O\n4 2 8\ndirect\n0.110166 0.139833 0.110166 Mg\n0.500000 -0.000000 0.500000 Mg\n0.500000 0.499999 0.500000 Mg\n0.889834 0.860165 0.889834 Mg\n0.500000 0.499999 -0.000000 Si\n-0.000000 0.499999 0.500000 Si\n0.250078 0.284918 0.250078 O\n0.220766 0.289314 0.700603 O\n0.250078 0.714924 0.250078 O\n0.700603 0.289314 0.220766 O\n0.299397 0.710684 0.779234 O\n0.749923 0.285074 0.749922 O\n0.779234 0.710684 0.299397 O\n0.749922 0.715081 0.749922 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 3.391272459194264,
"density_atomic": 0.10161055572935566,
"volume": 137.7809608412106,
"volume_molar": 5.926688144527273,
"formula_full": "Mg4 Si2 O8",
"formula_reduced": "Mg2SiO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.3892872428571428,
"spacegroup": 74
}
]
}