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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=64",
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"results": [
{
"id": "jvasp-30068",
"created_at": "2022-09-04T14:38:09.004398Z",
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"structure_string": "Al2 Si2 H4 O9\n1.0\n2.489025 4.509024 -0.810689\n-2.533301 4.508586 0.530071\n-0.032830 -0.013310 7.383734\nAl Si H O\n2 2 4 9\ndirect\n0.797284 0.194587 0.480701 Al\n0.126177 0.536975 0.478276 Al\n0.333419 0.343090 0.089783 Si\n0.675997 0.657704 0.091624 Si\n0.209901 0.920011 0.326398 H\n0.237743 0.108123 0.739534 H\n0.553175 0.456531 0.737920 H\n0.862247 0.769559 0.734072 H\n0.129953 0.206142 0.608602 O\n0.022221 0.919943 0.326182 O\n0.964183 0.570558 0.995244 O\n0.404829 0.303200 0.316037 O\n0.503668 0.495577 0.994971 O\n0.785440 0.541916 0.317525 O\n0.513697 0.435796 0.608262 O\n0.431603 0.024700 0.018856 O\n0.897175 0.818879 0.613104 O\n",
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{
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"structure_string": "Al4 Si4 O14\n1.0\n5.197742 -0.021838 -0.004709\n0.576713 5.165694 0.004709\n-2.297271 2.578899 8.829632\nAl Si O\n4 4 14\ndirect\n0.375746 0.272066 0.978802 Al\n0.272066 0.375746 0.521198 Al\n0.727934 0.624253 0.478802 Al\n0.624253 0.727933 0.021198 Al\n0.191901 0.802900 0.704425 Si\n0.197099 0.808098 0.204425 Si\n0.802900 0.191900 0.795575 Si\n0.808099 0.197099 0.295575 Si\n0.933495 0.933495 0.750000 O\n0.684841 0.972464 0.394854 O\n0.583382 0.379527 0.133946 O\n0.408366 0.912591 0.105412 O\n0.620473 0.416618 0.633946 O\n0.379527 0.583381 0.366054 O\n0.066504 0.066504 0.250000 O\n0.416618 0.620472 0.866054 O\n0.315159 0.027535 0.605146 O\n0.912591 0.408366 0.394588 O\n0.087408 0.591633 0.605411 O\n0.027535 0.315159 0.894853 O\n0.591633 0.087408 0.894588 O\n0.972464 0.684840 0.105146 O\n",
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{
"id": "jvasp-12160",
"created_at": "2022-09-04T14:36:56.952674Z",
"updated_at": "2022-09-04T14:36:56.952694Z",
"structure_string": "Al2 Si4 O11\n1.0\n2.670256 4.602355 -0.570601\n-2.479731 4.603478 0.383962\n-0.067179 0.003408 9.466700\nAl Si O\n2 4 11\ndirect\n0.312236 0.374911 -0.000191 Al\n0.687765 0.625088 0.000191 Al\n0.266294 0.745609 0.702236 Si\n0.733707 0.254391 0.297764 Si\n0.911593 0.452814 0.700869 Si\n0.088408 0.547185 0.299131 Si\n0.901153 0.415496 0.367586 O\n0.098848 0.584503 0.632414 O\n0.439985 0.339091 0.368228 O\n0.560016 0.660909 0.631772 O\n0.616402 0.393498 0.124991 O\n0.948400 0.476754 0.874328 O\n0.037819 0.107161 0.675916 O\n0.383598 0.606501 0.875009 O\n0.500000 -0.000001 0.000000 O\n0.051601 0.523245 0.125672 O\n0.962181 0.892838 0.324084 O\n",
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"spacegroup": 2
},
{
"id": "jvasp-21165",
"created_at": "2022-09-04T14:37:57.510169Z",
"updated_at": "2022-09-04T14:37:57.510189Z",
"structure_string": "Al8 Si4 O16 F8\n1.0\n4.691499 0.000000 0.000000\n-0.000000 8.467216 0.000000\n0.000000 0.000000 8.878159\nAl Si O F\n8 4 16 8\ndirect\n0.096826 0.916951 0.130336 Al\n0.596827 0.083050 0.369665 Al\n0.903174 0.416951 0.869665 Al\n0.403174 0.583050 0.630336 Al\n0.596827 0.416951 0.369665 Al\n0.096826 0.583050 0.130336 Al\n0.403174 0.916951 0.630336 Al\n0.903174 0.083050 0.869665 Al\n0.897695 0.750000 0.439931 Si\n0.397695 0.250000 0.060069 Si\n0.102305 0.250000 0.560069 Si\n0.602305 0.750000 0.939931 Si\n0.295126 0.750000 0.031366 O\n0.795126 0.250000 0.468634 O\n0.704874 0.250000 0.968634 O\n0.204874 0.750000 0.531366 O\n0.789195 0.908063 0.989255 O\n0.289195 0.091938 0.510745 O\n0.210805 0.408063 0.010745 O\n0.710805 0.591938 0.489255 O\n0.289195 0.408063 0.510745 O\n0.041978 0.250000 0.744594 O\n0.958022 0.750000 0.255407 O\n0.210805 0.091938 0.010745 O\n0.710805 0.908063 0.489255 O\n0.789195 0.591938 0.989255 O\n0.458022 0.250000 0.244594 O\n0.541978 0.750000 0.755407 O\n0.096035 0.557673 0.752158 F\n0.096035 0.942328 0.752158 F\n0.596035 0.057672 0.747842 F\n0.596035 0.442328 0.747842 F\n0.403965 0.557673 0.252158 F\n0.903965 0.057672 0.247842 F\n0.403965 0.942328 0.252158 F\n0.903965 0.442328 0.247842 F\n",
"nsites": 36,
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],
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{
"id": "jvasp-99194",
"created_at": "2022-09-04T14:36:32.639329Z",
"updated_at": "2022-09-04T14:36:32.639350Z",
"structure_string": "Al8 Si4 O20\n1.0\n5.290964 0.060637 0.645096\n-1.275523 7.981473 -2.659840\n0.897797 -0.253950 8.471036\nAl Si O\n8 4 20\ndirect\n0.783678 0.830006 0.313056 Al\n0.262331 0.993532 0.944225 Al\n0.672051 0.190027 0.808338 Al\n0.327950 0.809973 0.191663 Al\n0.875973 0.817931 0.670764 Al\n0.737670 0.006468 0.055776 Al\n0.124027 0.182069 0.329237 Al\n0.216323 0.169994 0.686945 Al\n0.576906 0.392120 0.574395 Si\n0.011504 0.455156 0.674076 Si\n0.423094 0.607880 0.425606 Si\n0.988497 0.544844 0.325925 Si\n0.878484 0.295997 0.509752 O\n0.788143 0.574299 0.686833 O\n0.909784 0.041167 0.678297 O\n0.211858 0.425701 0.313168 O\n0.950268 0.872052 0.878943 O\n0.649448 0.770021 0.515416 O\n0.680760 0.463415 0.380140 O\n0.090216 0.958833 0.321704 O\n0.319241 0.536585 0.619861 O\n0.411559 0.846781 0.991253 O\n0.121516 0.704003 0.490249 O\n0.499059 0.331198 0.752534 O\n0.500941 0.668802 0.247467 O\n0.049732 0.127948 0.121057 O\n0.375744 0.040675 0.748949 O\n0.350552 0.229979 0.484585 O\n0.588441 0.153219 0.008748 O\n0.008532 0.646729 0.193728 O\n-0.008531 0.353270 0.806272 O\n0.624256 0.959325 0.251052 O\n",
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"formula_full": "Al8 Si4 O20",
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"formula_anonymous": "AB2C5",
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},
{
"id": "jvasp-58433",
"created_at": "2022-09-04T14:37:58.222934Z",
"updated_at": "2022-09-04T14:37:58.222948Z",
"structure_string": "Al4 Si2 O10\n1.0\n4.717194 0.000000 0.000000\n-2.358597 4.408935 -1.749872\n0.000000 -0.024430 6.675149\nAl Si O\n4 2 10\ndirect\n0.875633 0.232393 0.272299 Al\n0.143240 0.767606 0.227701 Al\n0.856758 0.232393 0.772299 Al\n0.124365 0.767606 0.727701 Al\n0.499999 0.499999 0.500000 Si\n0.499999 0.499999 0.000000 Si\n0.312198 0.499999 0.750000 O\n0.687800 0.499999 0.250000 O\n0.907897 0.663311 0.952172 O\n0.744586 0.336688 0.547828 O\n0.092101 0.336688 0.047828 O\n0.255412 0.663311 0.452172 O\n0.536772 0.860627 0.145392 O\n0.176145 0.139372 0.354608 O\n0.463226 0.139372 0.854608 O\n0.823853 0.860627 0.645392 O\n",
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{
"id": "jvasp-61327",
"created_at": "2022-09-04T14:35:49.878879Z",
"updated_at": "2022-09-04T14:35:49.878911Z",
"structure_string": "Al8 Si4 O20\n1.0\n-5.622504 0.001797 0.005259\n1.387575 7.048319 0.000555\n-0.006300 -2.224932 -7.606578\nAl Si O\n8 4 20\ndirect\n0.041891 0.174821 0.795993 Al\n0.958110 0.825180 0.204008 Al\n0.549753 0.203377 0.801419 Al\n0.450247 0.796624 0.198582 Al\n0.859856 0.400557 0.113799 Al\n0.140144 0.599445 0.886202 Al\n0.335399 0.388159 0.582786 Al\n0.664601 0.611842 0.417215 Al\n0.206710 0.796427 0.564845 Si\n0.793290 0.203574 0.435156 Si\n0.310995 0.208894 0.168173 Si\n0.689005 0.791107 0.831828 Si\n0.371620 0.390878 0.353356 O\n0.138969 0.621342 0.130722 O\n0.861031 0.378660 0.869278 O\n0.929033 0.782502 0.945650 O\n0.070968 0.217499 0.054351 O\n0.435738 0.783364 0.435179 O\n0.564263 0.216637 0.564822 O\n0.628381 0.609124 0.646645 O\n0.166818 0.608153 0.652318 O\n0.744248 0.001167 0.774949 O\n0.454134 0.774912 0.954704 O\n0.545866 0.225089 0.045297 O\n0.965491 0.791519 0.446354 O\n0.034510 0.208482 0.553647 O\n0.319122 0.377630 0.815064 O\n0.255753 0.998834 0.225052 O\n0.256144 0.001865 0.731348 O\n0.743857 0.998136 0.268652 O\n0.833183 0.391848 0.347682 O\n0.680879 0.622371 0.184937 O\n",
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},
{
"id": "jvasp-59283",
"created_at": "2022-09-04T14:38:08.004308Z",
"updated_at": "2022-09-04T14:38:08.004328Z",
"structure_string": "Al8 Si4 O20\n1.0\n5.829901 0.000000 0.000000\n-0.000000 7.558069 0.000000\n0.000000 0.000000 7.731620\nAl Si O\n8 4 20\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.250000 0.357462 0.844291 Al\n0.750000 0.642538 0.155709 Al\n0.750000 0.857462 0.655709 Al\n0.250000 0.142538 0.344291 Al\n0.750000 0.346291 0.839821 Si\n0.250000 0.653709 0.160179 Si\n0.750000 0.153709 0.339821 Si\n0.250000 0.846292 0.660179 Si\n0.250000 0.523201 0.998023 O\n0.750000 0.642773 0.567145 O\n0.250000 0.357228 0.432855 O\n0.750000 0.139191 0.908504 O\n0.250000 0.860809 0.091496 O\n0.250000 0.639191 0.591496 O\n0.750000 0.360809 0.408504 O\n0.750000 0.476799 0.001977 O\n0.250000 0.976799 0.498023 O\n0.485872 0.873879 0.778056 O\n0.514128 0.126121 0.221944 O\n0.014128 0.873879 0.778056 O\n0.485872 0.626121 0.278056 O\n0.985872 0.373879 0.721944 O\n0.750000 0.857228 0.067145 O\n0.985872 0.126121 0.221944 O\n0.514128 0.373879 0.721944 O\n0.014128 0.626121 0.278056 O\n0.750000 0.023201 0.501977 O\n0.250000 0.142773 0.932855 O\n",
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"formula_full": "Al8 Si4 O20",
"formula_reduced": "Al2SiO5",
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},
{
"id": "jvasp-21026",
"created_at": "2022-09-04T14:37:47.767081Z",
"updated_at": "2022-09-04T14:37:47.767111Z",
"structure_string": "Al8 Si4 O20\n1.0\n5.615798 0.000000 0.000000\n0.000000 7.843965 0.000000\n0.000000 0.000000 7.961540\nAl Si O\n8 4 20\ndirect\n0.242027 0.000000 0.000000 Al\n0.257973 0.500000 0.500000 Al\n0.757973 0.000000 0.000000 Al\n0.742028 0.500000 0.500000 Al\n0.000000 0.130016 0.638558 Al\n0.000000 0.869985 0.361442 Al\n0.500000 0.630016 0.861442 Al\n0.500000 0.369985 0.138558 Al\n0.500000 0.253681 0.750810 Si\n0.500000 0.746319 0.249190 Si\n0.000000 0.246319 0.250810 Si\n0.000000 0.753682 0.749190 Si\n0.000000 0.897079 0.599982 O\n0.000000 0.574642 0.637987 O\n0.000000 0.425359 0.362013 O\n0.000000 0.077330 0.862733 O\n0.000000 0.922671 0.137267 O\n0.500000 0.577330 0.637267 O\n0.500000 0.422671 0.362733 O\n0.000000 0.102921 0.400018 O\n0.500000 0.602922 0.099982 O\n0.760246 0.770444 0.867484 O\n0.239755 0.229557 0.132516 O\n0.239755 0.770444 0.867484 O\n0.260245 0.729557 0.367484 O\n0.260245 0.270443 0.632516 O\n0.500000 0.925359 0.137987 O\n0.760246 0.229557 0.132516 O\n0.739755 0.270443 0.632516 O\n0.739755 0.729557 0.367484 O\n0.500000 0.397079 0.900018 O\n0.500000 0.074641 0.862013 O\n",
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"volume": 350.70681594355415,
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"formula_full": "Al8 Si4 O20",
"formula_reduced": "Al2SiO5",
"formula_anonymous": "AB2C5",
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"spacegroup": 58
},
{
"id": "jvasp-58434",
"created_at": "2022-09-04T14:37:50.802067Z",
"updated_at": "2022-09-04T14:37:50.802084Z",
"structure_string": "Al4 Si2 O10\n1.0\n3.554431 0.000000 0.000000\n-1.777216 4.641022 0.000000\n0.000000 -0.000000 9.181571\nAl Si O\n4 2 10\ndirect\n0.135061 0.270121 0.432554 Al\n0.864938 0.729879 0.567446 Al\n0.135061 0.270121 0.067446 Al\n0.864938 0.729879 0.932554 Al\n0.183773 0.367547 0.750000 Si\n0.816225 0.632452 0.250000 Si\n0.312687 0.625375 0.589453 O\n0.687312 0.374624 0.410547 O\n0.687312 0.374624 0.089453 O\n0.312687 0.625375 0.910547 O\n0.054916 0.109834 0.617881 O\n0.945082 0.890166 0.382119 O\n0.739613 0.479228 0.750000 O\n0.260385 0.520772 0.250000 O\n0.054916 0.109834 0.882119 O\n0.945082 0.890166 0.117881 O\n",
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],
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"volume": 151.46096237903274,
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"formula_full": "Al4 Si2 O10",
"formula_reduced": "Al2SiO5",
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"spacegroup": 63
},
{
"id": "jvasp-19269",
"created_at": "2022-09-04T14:38:33.769861Z",
"updated_at": "2022-09-04T14:38:33.769889Z",
"structure_string": "Al4 Sn4 O14\n1.0\n6.068935 -0.000000 3.503901\n2.022979 5.721847 3.503901\n-0.000000 -0.000000 7.007803\nAl Sn O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 -0.000001 Al\n0.500000 0.500000 0.499999 Al\n0.000000 0.500000 -0.000000 Sn\n0.500000 0.000000 -0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.642913 0.107087 0.107087 O\n0.107087 0.107087 0.642913 O\n0.642913 0.642913 0.107086 O\n0.892914 0.357087 0.357086 O\n0.357087 0.892913 0.357086 O\n0.357087 0.357087 0.892912 O\n0.357087 0.892913 0.892912 O\n0.892914 0.357087 0.892912 O\n0.107087 0.642913 0.642912 O\n0.642913 0.107087 0.642912 O\n0.375000 0.375000 0.374999 O\n0.625000 0.625000 0.624999 O\n0.892914 0.892913 0.357086 O\n0.107087 0.642913 0.107087 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"O"
],
"chemical_system": "Al-O-Sn",
"density": 5.505054646602809,
"density_atomic": 0.09040492064533405,
"volume": 243.34958587384654,
"volume_molar": 6.661297545545508,
"formula_full": "Al4 Sn4 O14",
"formula_reduced": "Al2Sn2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.1442566818181814,
"spacegroup": 227
},
{
"id": "jvasp-113687",
"created_at": "2022-09-04T14:38:46.811070Z",
"updated_at": "2022-09-04T14:38:46.811094Z",
"structure_string": "Al2 S1 O2\n1.0\n3.094106 0.000000 0.000000\n-1.547053 2.679575 0.000000\n-0.000000 -0.000000 6.946680\nAl S O\n2 1 2\ndirect\n0.666669 0.333333 0.251778 Al\n0.333335 0.666666 0.748222 Al\n0.000000 0.000000 0.000000 S\n0.333335 0.666666 0.337958 O\n0.666669 0.333333 0.662042 O\n",
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"nelements": 3,
"elements": [
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],
"chemical_system": "Al-O-S",
"density": 3.4029190285494573,
"density_atomic": 0.0868143675324199,
"volume": 57.59415338864046,
"volume_molar": 6.9368019731884765,
"formula_full": "Al2 S1 O2",
"formula_reduced": "Al2SO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.69109052,
"spacegroup": 164
}
]
}