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{
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{
"id": "mp-759372",
"created_at": "2022-09-04T14:42:05.167143Z",
"structure_string": "Li16 Cr8 Si16 O52\n1.0\n5.000015 0.000000 0.000000\n0.000000 13.712049 0.000000\n0.000000 0.000000 14.065378\nLi Cr Si O\n16 8 16 52\ndirect\n0.174979 0.042170 0.221228 Li\n0.661362 0.109287 0.920912 Li\n0.647145 0.134047 0.109355 Li\n0.251201 0.210609 0.837759 Li\n0.751201 0.289391 0.337759 Li\n0.147145 0.365953 0.609355 Li\n0.161362 0.390713 0.420912 Li\n0.674979 0.457830 0.721228 Li\n0.325021 0.542170 0.221228 Li\n0.838638 0.609287 0.920912 Li\n0.852855 0.634047 0.109355 Li\n0.248799 0.710609 0.837759 Li\n0.748799 0.789391 0.337759 Li\n0.352855 0.865953 0.609355 Li\n0.338638 0.890713 0.420912 Li\n0.825021 0.957830 0.721228 Li\n0.357366 0.079515 0.625951 Cr\n0.178803 0.171132 0.422227 Cr\n0.678803 0.328868 0.922227 Cr\n0.857366 0.420485 0.125951 Cr\n0.142634 0.579515 0.625951 Cr\n0.321197 0.671132 0.422227 Cr\n0.821197 0.828868 0.922227 Cr\n0.642634 0.920485 0.125951 Cr\n0.152362 0.020838 0.000876 Si\n0.684451 0.060869 0.317015 Si\n0.847662 0.189697 0.729009 Si\n0.171906 0.226930 0.045927 Si\n0.671906 0.273070 0.545927 Si\n0.347662 0.310303 0.229009 Si\n0.184451 0.439131 0.817015 Si\n0.652362 0.479162 0.500876 Si\n0.347638 0.520838 0.000876 Si\n0.815549 0.560869 0.317015 Si\n0.652338 0.689697 0.729009 Si\n0.328094 0.726930 0.045927 Si\n0.828094 0.773070 0.545927 Si\n0.152338 0.810303 0.229009 Si\n0.315549 0.939131 0.817015 Si\n0.847638 0.979162 0.500876 Si\n0.429020 0.025088 0.059362 O\n0.766628 0.033958 0.207086 O\n0.219660 0.033445 0.886115 O\n0.058689 0.067053 0.520652 O\n0.366600 0.074962 0.337679 O\n0.674398 0.092523 0.707303 O\n0.988329 0.125547 0.024967 O\n0.858791 0.156034 0.344510 O\n0.164307 0.176533 0.705853 O\n0.474886 0.181324 0.525403 O\n0.244199 0.216892 0.160373 O\n0.820293 0.217278 0.842167 O\n0.447800 0.219021 0.985134 O\n0.947800 0.280979 0.485134 O\n0.320293 0.282722 0.342167 O\n0.744199 0.283108 0.660373 O\n0.974886 0.318676 0.025403 O\n0.664307 0.323467 0.205853 O\n0.358791 0.343966 0.844510 O\n0.488329 0.374453 0.524967 O\n0.174398 0.407477 0.207303 O\n0.866600 0.425038 0.837679 O\n0.558689 0.432947 0.020652 O\n0.719660 0.466555 0.386115 O\n0.266628 0.466042 0.707086 O\n0.929020 0.474912 0.559362 O\n0.070980 0.525088 0.059362 O\n0.733372 0.533958 0.207086 O\n0.280340 0.533445 0.886115 O\n0.441311 0.567053 0.520652 O\n0.133400 0.574962 0.337679 O\n0.825602 0.592523 0.707303 O\n0.511671 0.625547 0.024967 O\n0.641209 0.656034 0.344510 O\n0.335693 0.676533 0.705853 O\n0.025114 0.681324 0.525403 O\n0.255801 0.716892 0.160373 O\n0.679707 0.717278 0.842167 O\n0.052200 0.719021 0.985134 O\n0.552200 0.780979 0.485134 O\n0.179707 0.782722 0.342167 O\n0.755801 0.783108 0.660373 O\n0.525114 0.818676 0.025403 O\n0.835693 0.823467 0.205853 O\n0.141209 0.843966 0.844510 O\n0.011671 0.874453 0.524967 O\n0.325602 0.907477 0.207303 O\n0.633400 0.925038 0.837679 O\n0.941311 0.932947 0.020652 O\n0.780340 0.966555 0.386115 O\n0.233372 0.966042 0.707086 O\n0.570980 0.974912 0.559362 O\n",
"nsites": 92,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Si",
"O"
],
"chemical_system": "Cr-Li-O-Si",
"density": 3.1139332724190774,
"density_atomic": 0.09540315903089701,
"volume": 964.3286546748952,
"volume_molar": 6.312307497123533,
"formula_full": "Li16 Cr8 Si16 O52",
"formula_reduced": "Li4Cr2Si4O13",
"formula_anonymous": "A2B4C4D13",
"energy": -712.62468428,
"energy_per_atom": -7.745920481304347,
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"energy_uncorrected": -660.90868428,
"band_gap": 3.0944,
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"updated_at": "2021-11-28T01:35:39.843000Z",
"spacegroup": 33
},
{
"id": "mp-4360",
"created_at": "2022-09-04T14:42:02.906965Z",
"structure_string": "Na2 Cd2 F6\n1.0\n5.402463 -2.915882 0.000000\n5.402463 2.915882 0.000000\n3.828669 0.000000 4.798987\nNa Cd F\n2 2 6\ndirect\n0.709269 0.709269 0.709269 Na\n0.209269 0.209269 0.209269 Na\n0.998738 0.998738 0.998738 Cd\n0.498738 0.498738 0.498738 Cd\n0.615386 0.293676 0.886932 F\n0.293676 0.886932 0.615386 F\n0.886932 0.615386 0.293676 F\n0.115386 0.386932 0.793676 F\n0.793676 0.115386 0.386932 F\n0.386932 0.793676 0.115386 F\n",
"nsites": 10,
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"elements": [
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"Cd",
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"chemical_system": "Cd-F-Na",
"density": 4.2260416093617,
"density_atomic": 0.06613916149947553,
"volume": 151.19635286091884,
"volume_molar": 9.10525719327082,
"formula_full": "Na2 Cd2 F6",
"formula_reduced": "NaCdF3",
"formula_anonymous": "ABC3",
"energy": -42.69607991999999,
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"band_gap": 3.482,
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"updated_at": "2021-11-28T01:35:41.057000Z",
"spacegroup": 161
},
{
"id": "mp-648264",
"created_at": "2022-09-04T14:42:05.163417Z",
"structure_string": "Os24 C68 S8 O68\n1.0\n11.421261 0.000000 0.000000\n0.000000 14.796962 0.000000\n0.000000 0.000000 17.706865\nOs C S O\n24 68 8 68\ndirect\n0.037446 0.509644 0.925727 Os\n0.753146 0.090934 0.096606 Os\n0.626290 0.806614 0.105456 Os\n0.545250 0.933022 0.684448 Os\n0.275458 0.568329 0.802967 Os\n0.873710 0.193386 0.605456 Os\n0.976002 0.094207 0.731005 Os\n0.454750 0.433022 0.815552 Os\n0.962554 0.009644 0.574273 Os\n0.126290 0.693386 0.894544 Os\n0.775458 0.931671 0.197033 Os\n0.224542 0.431671 0.302967 Os\n0.246854 0.590934 0.403394 Os\n0.253146 0.409066 0.903394 Os\n0.724542 0.068329 0.697033 Os\n0.023998 0.594207 0.768995 Os\n0.537446 0.990356 0.074273 Os\n0.045250 0.566978 0.315552 Os\n0.373710 0.306614 0.394544 Os\n0.954750 0.066978 0.184448 Os\n0.523998 0.905793 0.231005 Os\n0.746854 0.909066 0.596606 Os\n0.462554 0.490356 0.425727 Os\n0.476002 0.405793 0.268995 Os\n0.128360 0.626604 0.232671 C\n0.437221 0.988280 0.752678 C\n0.345563 0.378738 0.987267 C\n0.631318 0.372337 0.291641 C\n0.895400 0.845633 0.189967 C\n0.117116 0.973192 0.596615 C\n0.382884 0.026808 0.096615 C\n0.066073 0.392800 0.976490 C\n0.654437 0.878738 0.512733 C\n0.031654 0.029115 0.817977 C\n0.447667 0.298979 0.213671 C\n0.947667 0.201021 0.786329 C\n0.986432 0.762141 0.892304 C\n0.552333 0.798979 0.286329 C\n0.513257 0.502506 0.901944 C\n0.566073 0.107200 0.023510 C\n0.518218 0.429144 0.512509 C\n0.131318 0.127663 0.708359 C\n0.741881 0.214305 0.120023 C\n0.986743 0.497494 0.401944 C\n0.055217 0.167984 0.163614 C\n0.206907 0.433721 0.197640 C\n0.882884 0.473192 0.903385 C\n0.173078 0.750924 0.987007 C\n0.826922 0.250924 0.512993 C\n0.018218 0.070856 0.487491 C\n0.968346 0.529115 0.682023 C\n0.062779 0.011720 0.252678 C\n0.481782 0.929144 0.987491 C\n0.617116 0.526808 0.403385 C\n0.433927 0.607200 0.476490 C\n0.937221 0.511720 0.247322 C\n0.013257 0.997494 0.098056 C\n0.444783 0.832016 0.663614 C\n0.371640 0.373396 0.732671 C\n0.468346 0.970885 0.317977 C\n0.701728 0.716617 0.162264 C\n0.241881 0.285695 0.879977 C\n0.944783 0.667984 0.336386 C\n0.258119 0.714305 0.379977 C\n0.486743 0.002506 0.598056 C\n0.298272 0.216617 0.337736 C\n0.871640 0.126604 0.267329 C\n0.013568 0.262141 0.607696 C\n0.154437 0.621262 0.487267 C\n0.793093 0.933721 0.302360 C\n0.673078 0.749076 0.012993 C\n0.604600 0.154367 0.689967 C\n0.486432 0.737859 0.107696 C\n0.052333 0.701021 0.713671 C\n0.326922 0.249076 0.487007 C\n0.628360 0.873396 0.767329 C\n0.513568 0.237859 0.392304 C\n0.868682 0.627663 0.791641 C\n0.798272 0.283383 0.662264 C\n0.293093 0.566279 0.697640 C\n0.933927 0.892800 0.523510 C\n0.395400 0.654367 0.810033 C\n0.845563 0.121262 0.012733 C\n0.981782 0.570856 0.012509 C\n0.368682 0.872337 0.208359 C\n0.706907 0.066279 0.802360 C\n0.201728 0.783383 0.837736 C\n0.562779 0.488280 0.747322 C\n0.758119 0.785695 0.620023 C\n0.104600 0.345633 0.310033 C\n0.555217 0.332016 0.836386 C\n0.531654 0.470885 0.182023 C\n0.243768 0.567640 0.943747 S\n0.117879 0.451206 0.800602 S\n0.256232 0.432360 0.443747 S\n0.882121 0.951206 0.699398 S\n0.743768 0.932360 0.056253 S\n0.382121 0.548794 0.300602 S\n0.756232 0.067640 0.556253 S\n0.617879 0.048794 0.199398 S\n0.125220 0.974924 0.293927 O\n0.066814 0.990322 0.870365 O\n0.625220 0.525076 0.706073 O\n0.594757 0.859270 0.461659 O\n0.773142 0.647674 0.806626 O\n0.204015 0.790501 0.039921 O\n0.882248 0.727958 0.348642 O\n0.795985 0.290501 0.460079 O\n0.943956 0.607618 0.065327 O\n0.550908 0.543511 0.951885 O\n0.433186 0.009678 0.370365 O\n0.733000 0.291489 0.133128 O\n0.273142 0.852326 0.193374 O\n0.027939 0.293477 0.314832 O\n0.069345 0.766282 0.678731 O\n0.726858 0.352326 0.306626 O\n0.675029 0.840173 0.817991 O\n0.449092 0.043511 0.548115 O\n0.961318 0.830855 0.486533 O\n0.972061 0.793477 0.185168 O\n0.430655 0.233718 0.178731 O\n0.094757 0.640730 0.538341 O\n0.905037 0.809485 0.892765 O\n0.594963 0.190515 0.392765 O\n0.556044 0.392382 0.565327 O\n0.288046 0.052041 0.108006 O\n0.472061 0.706523 0.814832 O\n0.461318 0.669145 0.513467 O\n0.905243 0.140730 0.961659 O\n0.566814 0.509678 0.129635 O\n0.711954 0.552041 0.391994 O\n0.324971 0.340173 0.682009 O\n0.056044 0.107618 0.434673 O\n0.211954 0.947959 0.608006 O\n0.788046 0.447959 0.891994 O\n0.692674 0.062412 0.867710 O\n0.807326 0.937588 0.367710 O\n0.233000 0.208511 0.866872 O\n0.192674 0.437588 0.132290 O\n0.094963 0.309485 0.607235 O\n0.038682 0.330855 0.013467 O\n0.538682 0.169145 0.986533 O\n0.307326 0.562412 0.632290 O\n0.617752 0.272042 0.848642 O\n0.374780 0.025076 0.793927 O\n0.527939 0.206523 0.685168 O\n0.295985 0.209499 0.539921 O\n0.405037 0.690515 0.107235 O\n0.569345 0.733718 0.321269 O\n0.117752 0.227958 0.151358 O\n0.226858 0.147674 0.693374 O\n0.824971 0.159827 0.317991 O\n0.443956 0.892382 0.934673 O\n0.267000 0.791489 0.366872 O\n0.243153 0.842011 0.803165 O\n0.933186 0.490322 0.629635 O\n0.050908 0.956489 0.048115 O\n0.382248 0.772042 0.651358 O\n0.949092 0.456489 0.451885 O\n0.743153 0.657989 0.196835 O\n0.767000 0.708511 0.633128 O\n0.175029 0.659827 0.182009 O\n0.405243 0.359270 0.038341 O\n0.874780 0.474924 0.206073 O\n0.256847 0.157989 0.303165 O\n0.704015 0.709499 0.960079 O\n0.930655 0.266282 0.821269 O\n0.756847 0.342011 0.696835 O\n",
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"formula_full": "Os24 C68 S8 O68",
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"energy": -1422.3301649,
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"updated_at": "2021-11-28T01:35:45.021000Z",
"spacegroup": 19
},
{
"id": "mp-8013",
"created_at": "2022-09-04T14:42:05.183047Z",
"structure_string": "K1 Ru1 F6\n1.0\n3.365921 -3.863478 0.000000\n3.365921 3.863478 0.000000\n-1.068664 0.000000 5.011372\nK Ru F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ru\n0.263148 0.263148 0.919918 F\n0.919918 0.263148 0.263148 F\n0.080082 0.736852 0.736852 F\n0.736852 0.736852 0.080082 F\n0.736852 0.080082 0.736852 F\n0.263148 0.919918 0.263148 F\n",
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"formula_full": "K1 Ru1 F6",
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"updated_at": "2021-11-28T01:35:42.375000Z",
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{
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"elements": [
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],
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"formula_full": "Ba20 Cd4 Hg99",
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"spacegroup": 216
},
{
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"created_at": "2022-09-04T14:42:05.415576Z",
"structure_string": "Li8 Mn8 C8 O28\n1.0\n6.853249 0.000000 0.000000\n0.000000 9.627486 0.000000\n0.000000 4.436233 9.335329\nLi Mn C O\n8 8 8 28\ndirect\n0.252850 0.260656 0.003624 Li\n0.646070 0.423829 0.149230 Li\n0.146070 0.076171 0.850770 Li\n0.752850 0.239344 0.996376 Li\n0.247150 0.760656 0.003624 Li\n0.853930 0.923829 0.149230 Li\n0.353930 0.576171 0.850770 Li\n0.747150 0.739344 0.996376 Li\n0.952871 0.414279 0.663892 Mn\n0.547129 0.914279 0.663892 Mn\n0.452871 0.085721 0.336108 Mn\n0.047129 0.585721 0.336108 Mn\n0.635376 0.273535 0.515044 Mn\n0.864624 0.773535 0.515044 Mn\n0.135376 0.226465 0.484956 Mn\n0.364624 0.726465 0.484956 Mn\n0.355187 0.350321 0.716768 C\n0.761843 0.065056 0.849418 C\n0.261843 0.434944 0.150582 C\n0.144813 0.850321 0.716768 C\n0.855187 0.149679 0.283232 C\n0.738157 0.565056 0.849418 C\n0.238157 0.934944 0.150582 C\n0.644813 0.649679 0.283232 C\n0.512104 0.382038 0.644801 O\n0.408116 0.129453 0.512924 O\n0.320557 0.399477 0.814838 O\n0.215567 0.268166 0.694797 O\n0.760953 0.444195 0.969279 O\n0.700597 0.068892 0.730065 O\n0.852638 0.184504 0.851421 O\n0.987896 0.882038 0.644801 O\n0.091884 0.629453 0.512924 O\n0.179443 0.899477 0.814838 O\n0.284433 0.768166 0.694797 O\n0.352638 0.315496 0.148579 O\n0.200597 0.431108 0.269935 O\n0.739047 0.944195 0.969279 O\n0.260953 0.055805 0.030721 O\n0.799403 0.568892 0.730065 O\n0.647362 0.684504 0.851421 O\n0.715567 0.231834 0.305203 O\n0.820557 0.100523 0.185162 O\n0.908116 0.370547 0.487076 O\n0.012104 0.117962 0.355199 O\n0.147362 0.815496 0.148579 O\n0.299403 0.931108 0.269935 O\n0.239047 0.555805 0.030721 O\n0.784433 0.731834 0.305203 O\n0.679443 0.600523 0.185162 O\n0.591884 0.870547 0.487076 O\n0.487896 0.617962 0.355199 O\n",
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},
{
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"created_at": "2022-09-04T14:42:05.835140Z",
"structure_string": "Fe8 O12\n1.0\n5.036462 0.000000 0.000000\n0.000000 5.265405 0.000000\n0.000000 0.000000 7.774239\nFe O\n8 12\ndirect\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.976501 0.561601 0.750000 Fe\n0.476501 0.938399 0.250000 Fe\n0.023499 0.438399 0.250000 Fe\n0.523499 0.061601 0.750000 Fe\n0.180753 0.683948 0.421014 O\n0.680753 0.816052 0.921014 O\n0.819247 0.316052 0.578986 O\n0.319247 0.183948 0.078986 O\n0.180753 0.683948 0.078986 O\n0.680753 0.816052 0.578986 O\n0.819247 0.316052 0.921014 O\n0.319247 0.183948 0.421014 O\n0.653138 0.581627 0.250000 O\n0.153138 0.918373 0.750000 O\n0.346862 0.418373 0.750000 O\n0.846862 0.081627 0.250000 O\n",
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"formula_full": "Fe8 O12",
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{
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"structure_string": "Na12 Fe4 H40 C24 O68\n1.0\n6.489595 8.764237 0.000000\n-6.489595 8.764237 0.000000\n0.000000 2.824252 14.857484\nNa Fe H C O\n12 4 40 24 68\ndirect\n0.501206 0.498794 0.250000 Na\n0.498794 0.501206 0.750000 Na\n0.772829 0.227171 0.250000 Na\n0.227171 0.772829 0.750000 Na\n0.071857 0.845704 0.998595 Na\n0.154296 0.928143 0.501405 Na\n0.928143 0.154296 0.001405 Na\n0.845704 0.071857 0.498595 Na\n0.251567 0.514036 0.016649 Na\n0.485964 0.748433 0.483351 Na\n0.748433 0.485964 0.983351 Na\n0.514036 0.251567 0.516649 Na\n0.944380 0.673574 0.231511 Fe\n0.326426 0.055620 0.268489 Fe\n0.055620 0.326426 0.768489 Fe\n0.673574 0.944380 0.731511 Fe\n0.353192 0.728690 0.945863 H\n0.271310 0.646808 0.554137 H\n0.646808 0.271310 0.054137 H\n0.728690 0.353192 0.445863 H\n0.346202 0.722201 0.052403 H\n0.277799 0.653798 0.447597 H\n0.653798 0.277799 0.947597 H\n0.722201 0.346202 0.552403 H\n0.221408 0.035754 0.993520 H\n0.964246 0.778592 0.506480 H\n0.778592 0.964246 0.006480 H\n0.035754 0.221408 0.493520 H\n0.188938 0.988128 0.093356 H\n0.011872 0.811062 0.406644 H\n0.811062 0.011872 0.906644 H\n0.988128 0.188938 0.593356 H\n0.962808 0.618340 0.022442 H\n0.381660 0.037192 0.477558 H\n0.037192 0.381660 0.977558 H\n0.618340 0.962808 0.522442 H\n0.011035 0.658306 0.919976 H\n0.341694 0.988965 0.580024 H\n0.988965 0.341694 0.080024 H\n0.658306 0.011035 0.419976 H\n0.272231 0.250286 0.083609 H\n0.749714 0.727769 0.416391 H\n0.727769 0.749714 0.916391 H\n0.250286 0.272231 0.583609 H\n0.246916 0.271955 0.982383 H\n0.728045 0.753084 0.517617 H\n0.753084 0.728045 0.017617 H\n0.271955 0.246916 0.482383 H\n0.399532 0.124477 0.936070 H\n0.875523 0.600468 0.563930 H\n0.600468 0.875523 0.063930 H\n0.124477 0.399532 0.436070 H\n0.409259 0.008982 0.882995 H\n0.991018 0.590741 0.617005 H\n0.590741 0.991018 0.117005 H\n0.008982 0.409259 0.382995 H\n0.777177 0.542542 0.185182 C\n0.457458 0.222823 0.314818 C\n0.222823 0.457458 0.814818 C\n0.542542 0.777177 0.685182 C\n0.799745 0.491226 0.284973 C\n0.508774 0.200255 0.215027 C\n0.200255 0.508774 0.715027 C\n0.491226 0.799745 0.784973 C\n0.794557 0.922922 0.272873 C\n0.077078 0.205443 0.227127 C\n0.205443 0.077078 0.727127 C\n0.922922 0.794557 0.772873 C\n0.881496 0.945482 0.184078 C\n0.054518 0.118504 0.315922 C\n0.118504 0.054518 0.815922 C\n0.945482 0.881496 0.684078 C\n0.188275 0.605382 0.299367 C\n0.394618 0.811725 0.200633 C\n0.811725 0.394618 0.700633 C\n0.605382 0.188275 0.799367 C\n0.210708 0.541570 0.210628 C\n0.458430 0.789292 0.289372 C\n0.789292 0.458430 0.789372 C\n0.541570 0.210708 0.710628 C\n0.837448 0.627314 0.148670 O\n0.372686 0.162552 0.351330 O\n0.162552 0.372686 0.851330 O\n0.627314 0.837448 0.648670 O\n0.885707 0.529676 0.314871 O\n0.470324 0.114293 0.185129 O\n0.114293 0.470324 0.685129 O\n0.529676 0.885707 0.814871 O\n0.708600 0.498327 0.147060 O\n0.501673 0.291400 0.352940 O\n0.291400 0.501673 0.852940 O\n0.498327 0.708600 0.647060 O\n0.738924 0.416100 0.327199 O\n0.583900 0.261076 0.172801 O\n0.261076 0.583900 0.672801 O\n0.416100 0.738924 0.827199 O\n0.955406 0.840650 0.153191 O\n0.159350 0.044594 0.346809 O\n0.044594 0.159350 0.846809 O\n0.840650 0.955406 0.653191 O\n0.806288 0.803375 0.302746 O\n0.196625 0.193712 0.197254 O\n0.193712 0.196625 0.697254 O\n0.803375 0.806288 0.802746 O\n0.875994 0.057550 0.149920 O\n0.942450 0.124006 0.350080 O\n0.124006 0.942450 0.850080 O\n0.057550 0.875994 0.649920 O\n0.722132 0.017962 0.308756 O\n0.982038 0.277868 0.191244 O\n0.277868 0.982038 0.691244 O\n0.017962 0.722132 0.808756 O\n0.071484 0.676783 0.317469 O\n0.323217 0.928516 0.182531 O\n0.928516 0.323217 0.682531 O\n0.676783 0.071484 0.817469 O\n0.107971 0.564570 0.170211 O\n0.435430 0.892029 0.329789 O\n0.892029 0.435430 0.829789 O\n0.564570 0.107971 0.670211 O\n0.279312 0.586457 0.344857 O\n0.413543 0.720688 0.155143 O\n0.720688 0.413543 0.655143 O\n0.586457 0.279312 0.844857 O\n0.319590 0.477594 0.181792 O\n0.522406 0.680410 0.318208 O\n0.680410 0.522406 0.818208 O\n0.477594 0.319590 0.681792 O\n0.301003 0.711297 0.003219 O\n0.288703 0.698997 0.496781 O\n0.698997 0.288703 0.996781 O\n0.711297 0.301003 0.503219 O\n0.149166 0.018788 0.037173 O\n0.981212 0.850834 0.462827 O\n0.850834 0.981212 0.962827 O\n0.018788 0.149166 0.537173 O\n0.035330 0.638166 0.982499 O\n0.361834 0.964670 0.517501 O\n0.964670 0.361834 0.017501 O\n0.638166 0.035330 0.482499 O\n0.297275 0.291531 0.023857 O\n0.708469 0.702725 0.476143 O\n0.702725 0.708469 0.976143 O\n0.291531 0.297275 0.523857 O\n0.347346 0.081457 0.911499 O\n0.918543 0.652654 0.588501 O\n0.652654 0.918543 0.088501 O\n0.081457 0.347346 0.411499 O\n",
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"formula_full": "Na12 Fe4 H40 C24 O68",
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{
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