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"structure_string": "Sb4 As4 O20\n1.0\n4.973519 0.000000 0.000000\n0.000000 8.821440 0.000000\n0.000000 0.000000 9.292921\nSb As O\n4 4 20\ndirect\n0.113855 0.345600 0.604835 Sb\n0.613855 0.154400 0.395165 Sb\n0.886145 0.845600 0.895165 Sb\n0.386145 0.654400 0.104835 Sb\n0.104444 0.975711 0.209326 As\n0.604444 0.524289 0.790674 As\n0.895556 0.475711 0.290674 As\n0.395556 0.024289 0.709326 As\n0.300778 0.519755 0.701651 O\n0.773241 0.298451 0.246692 O\n0.273241 0.201549 0.753308 O\n0.445097 0.997943 0.526833 O\n0.726760 0.701549 0.746692 O\n0.945097 0.502057 0.473167 O\n0.800778 0.980245 0.298348 O\n0.226760 0.798451 0.253308 O\n0.699222 0.019755 0.798348 O\n0.188284 0.876232 0.752877 O\n0.811716 0.376232 0.747122 O\n0.311716 0.123768 0.252877 O\n0.054904 0.002057 0.026833 O\n0.688284 0.623768 0.247122 O\n0.073253 0.671012 0.977053 O\n0.573253 0.828988 0.022946 O\n0.926747 0.171012 0.522946 O\n0.426747 0.328988 0.477054 O\n0.199222 0.480245 0.201652 O\n0.554904 0.497943 0.973167 O\n",
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"structure_string": "H16 C20 S2 N4\n1.0\n5.491965 -0.046831 -0.873567\n-1.413372 6.715505 -1.255539\n-0.050446 0.354284 11.000001\nH C S N\n16 20 2 4\ndirect\n0.489212 0.837100 0.228451 H\n0.698678 0.586336 0.798201 H\n0.198676 0.586336 0.298201 H\n0.586755 0.775559 0.012901 H\n0.292538 0.523910 0.083113 H\n0.792536 0.523909 0.583112 H\n0.667807 0.960042 0.850903 H\n0.167804 0.960042 0.350903 H\n0.086753 0.775559 0.512901 H\n0.129611 0.361884 0.428255 H\n0.654817 0.203756 0.348892 H\n0.154822 0.203756 0.848894 H\n0.580412 0.427920 0.180692 H\n0.080414 0.427918 0.680693 H\n0.989215 0.837099 0.728450 H\n0.629612 0.361886 0.928255 H\n0.811802 0.821178 0.363166 C\n0.311805 0.821177 0.863166 C\n0.476492 0.533680 0.444405 C\n0.976493 0.533680 0.944404 C\n0.393552 0.628170 0.346126 C\n0.057746 0.769953 0.806718 C\n0.893554 0.628170 0.846125 C\n0.226553 0.592121 0.005028 C\n0.557743 0.769953 0.306719 C\n0.726549 0.592121 0.505027 C\n0.414453 0.087752 0.746186 C\n0.891928 0.734079 0.465291 C\n0.836909 0.300082 0.083315 C\n0.336909 0.300080 0.583316 C\n0.914449 0.087753 0.246186 C\n0.703636 0.324099 0.176894 C\n0.203637 0.324098 0.676895 C\n0.746114 0.204846 0.268677 C\n0.246117 0.204845 0.768677 C\n0.391931 0.734079 0.965291 C\n0.518844 0.119870 0.606772 S\n0.018845 0.119872 0.106773 S\n0.984243 0.947821 0.314912 N\n0.309245 0.380038 0.473847 N\n0.809245 0.380039 0.973847 N\n0.484247 0.947820 0.814912 N\n",
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{
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"structure_string": "H16 C24 O4\n1.0\n7.547333 -0.000000 0.000000\n0.000000 5.450407 0.000000\n0.000000 0.000000 9.906295\nH C O\n16 24 4\ndirect\n0.843523 0.393687 0.040042 H\n0.654402 0.709630 0.809660 H\n0.656476 0.893687 0.040042 H\n0.843523 0.606313 0.540042 H\n0.345598 0.709630 0.690339 H\n0.343523 0.893687 0.459957 H\n0.154402 0.790371 0.190340 H\n0.156476 0.606313 0.959957 H\n0.845597 0.790371 0.309660 H\n0.343523 0.106313 0.959957 H\n0.154402 0.209629 0.690339 H\n0.156476 0.393687 0.459957 H\n0.654402 0.290371 0.309660 H\n0.656476 0.106313 0.540042 H\n0.845597 0.209629 0.809660 H\n0.345598 0.290371 0.190340 H\n0.911700 0.221152 0.021309 C\n0.502621 0.396605 0.627943 C\n0.585886 0.381373 0.392385 C\n0.588299 0.278848 0.521308 C\n0.002621 0.103396 0.372057 C\n0.497379 0.396605 0.872056 C\n0.088299 0.221152 0.478691 C\n0.414114 0.381373 0.107614 C\n0.411701 0.278848 0.978691 C\n0.914114 0.118627 0.892385 C\n0.085886 0.118627 0.607614 C\n0.997379 0.103396 0.127943 C\n0.411701 0.721152 0.478691 C\n0.585886 0.618627 0.892385 C\n0.502621 0.603396 0.127943 C\n0.911700 0.778849 0.521308 C\n0.914114 0.881373 0.392385 C\n0.997379 0.896605 0.627943 C\n0.414114 0.618627 0.607614 C\n0.497379 0.603396 0.372057 C\n0.088299 0.778849 0.978691 C\n0.085886 0.881373 0.107614 C\n0.002621 0.896605 0.872056 C\n0.588299 0.721152 0.021309 C\n0.000000 0.230251 0.250000 O\n0.000000 0.769750 0.750000 O\n0.500000 0.730251 0.250000 O\n0.500000 0.269750 0.750000 O\n",
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"structure_string": "Al8 H24 O24\n1.0\n8.703333 0.000000 0.000000\n0.000000 5.052889 -0.015184\n0.000000 0.028755 9.264123\nAl H O\n8 24 24\ndirect\n0.334536 0.968528 0.486850 Al\n0.665464 0.031472 0.513150 Al\n0.834536 0.531472 0.513150 Al\n0.165464 0.468528 0.486850 Al\n0.834538 0.968445 0.013153 Al\n0.165462 0.031554 0.986847 Al\n0.334538 0.531554 0.986847 Al\n0.665462 0.468445 0.013153 Al\n0.460841 0.173566 0.110782 H\n0.539158 0.826434 0.889218 H\n0.691202 0.170610 0.804513 H\n0.308798 0.829389 0.195487 H\n0.387972 0.158543 0.811726 H\n0.887971 0.341456 0.188274 H\n0.112028 0.658543 0.811727 H\n0.039159 0.673566 0.110782 H\n0.612028 0.841456 0.188274 H\n0.191202 0.329389 0.195487 H\n0.960841 0.326434 0.889218 H\n0.808798 0.670610 0.804513 H\n0.387977 0.341551 0.311701 H\n0.612023 0.658448 0.688299 H\n0.960903 0.173563 0.389243 H\n0.539096 0.673563 0.389243 H\n0.460903 0.326437 0.610757 H\n0.191226 0.170672 0.695487 H\n0.039097 0.826437 0.610757 H\n0.691225 0.329328 0.304513 H\n0.308774 0.670672 0.695487 H\n0.887977 0.158448 0.688299 H\n0.112023 0.841551 0.311702 H\n0.808774 0.829328 0.304513 H\n0.196385 0.729758 0.870129 O\n0.983306 0.135084 0.887050 O\n0.803614 0.270242 0.129871 O\n0.829505 0.643050 0.907957 O\n0.170494 0.356949 0.092043 O\n0.329506 0.856949 0.092044 O\n0.670494 0.143050 0.907956 O\n0.516693 0.635084 0.887050 O\n0.483307 0.364915 0.112950 O\n0.016693 0.864916 0.112950 O\n0.696368 0.729644 0.629863 O\n0.829496 0.856879 0.407951 O\n0.196368 0.770355 0.370137 O\n0.803631 0.229644 0.629863 O\n0.329496 0.643120 0.592049 O\n0.670504 0.356879 0.407951 O\n0.170504 0.143120 0.592049 O\n0.483330 0.135070 0.612953 O\n0.516670 0.864930 0.387047 O\n0.983330 0.364929 0.387047 O\n0.016670 0.635070 0.612953 O\n0.303614 0.229758 0.870129 O\n0.303632 0.270355 0.370137 O\n0.696385 0.770242 0.129871 O\n",
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"elements": [
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"formula_full": "Al8 H24 O24",
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},
{
"id": "jvasp-43470",
"created_at": "2022-09-04T14:37:12.720181Z",
"updated_at": "2022-09-04T14:37:12.720206Z",
"structure_string": "Na12 Co4 O12\n1.0\n7.413195 0.000000 -0.000000\n-0.000000 7.413195 0.000000\n0.000000 -0.000000 7.413195\nNa Co O\n12 4 12\ndirect\n0.042070 0.042070 0.042070 Na\n0.204582 0.295418 0.704582 Na\n0.228501 0.728501 0.771500 Na\n0.271499 0.271499 0.271499 Na\n0.295418 0.704582 0.204582 Na\n0.457931 0.957931 0.542070 Na\n0.542070 0.457931 0.957931 Na\n0.704582 0.204582 0.295418 Na\n0.728501 0.771500 0.228501 Na\n0.771500 0.228501 0.728501 Na\n0.795419 0.795419 0.795419 Na\n0.957931 0.542070 0.457931 Na\n0.018490 0.518490 0.981511 Co\n0.481510 0.481510 0.481510 Co\n0.518490 0.981511 0.018490 Co\n0.981511 0.018490 0.518490 Co\n0.001235 0.226811 0.400489 O\n0.099512 0.998766 0.726812 O\n0.226811 0.400489 0.001235 O\n0.273189 0.599512 0.501235 O\n0.400489 0.001235 0.226811 O\n0.498765 0.773189 0.900489 O\n0.501235 0.273189 0.599512 O\n0.599512 0.501235 0.273189 O\n0.726812 0.099512 0.998766 O\n0.773189 0.900489 0.498765 O\n0.900489 0.498765 0.773189 O\n0.998766 0.726812 0.099512 O\n",
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"formula_full": "Na12 Co4 O12",
"formula_reduced": "Na3CoO3",
"formula_anonymous": "AB3C3",
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"spacegroup": 198
}
]
}