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{
"count": 1013513,
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"results": [
{
"id": "oqmd-1101060",
"created_at": "2022-09-04T15:34:27.065666Z",
"updated_at": "2022-09-04T15:34:27.065693Z",
"structure_string": "Ho12 Si12 H12 O48\n1.0\n-0.000040 12.872642 0.000000\n0.000000 0.000000 15.566816\n4.334628 -0.000012 0.000000\nH Ho O Si\n12 12 48 12\ndirect\n0.249863 0.086280 0.132791 H\n0.249863 0.413720 0.132791 H\n0.786641 0.750000 0.178495 H\n0.286642 0.750000 0.321449 H\n0.749844 0.086304 0.367102 H\n0.749844 0.413695 0.367102 H\n0.250157 0.586304 0.632899 H\n0.250157 0.913696 0.632899 H\n0.713358 0.250000 0.678552 H\n0.213358 0.250000 0.821503 H\n0.750137 0.586280 0.867212 H\n0.750137 0.913720 0.867212 H\n0.432315 0.597802 0.148988 Ho\n0.432315 0.902198 0.148988 Ho\n0.890097 0.250000 0.208561 Ho\n0.390129 0.250000 0.291413 Ho\n0.932341 0.597805 0.351031 Ho\n0.932341 0.902195 0.351031 Ho\n0.067660 0.097805 0.648972 Ho\n0.067660 0.402195 0.648972 Ho\n0.609870 0.750000 0.708588 Ho\n0.109903 0.750000 0.791439 Ho\n0.567685 0.097802 0.851013 Ho\n0.567685 0.402198 0.851013 Ho\n0.234609 0.250000 0.053179 O\n0.365798 0.750000 0.097084 O\n0.771094 0.570341 0.100890 O\n0.771094 0.929660 0.100890 O\n0.807548 0.118088 0.120772 O\n0.807548 0.381912 0.120772 O\n0.052055 0.164406 0.153241 O\n0.052055 0.335593 0.153241 O\n0.586605 0.667772 0.156072 O\n0.586605 0.832228 0.156072 O\n0.575995 0.507878 0.222165 O\n0.575995 0.992123 0.222165 O\n0.076024 0.507890 0.277863 O\n0.076024 0.992110 0.277863 O\n0.086629 0.667782 0.343931 O\n0.086629 0.832218 0.343931 O\n0.552091 0.164409 0.346692 O\n0.552091 0.335591 0.346692 O\n0.307612 0.118061 0.379101 O\n0.307612 0.381939 0.379101 O\n0.271120 0.570354 0.399195 O\n0.271120 0.929645 0.399195 O\n0.865841 0.750000 0.402926 O\n0.734623 0.250000 0.446843 O\n0.265377 0.750000 0.553155 O\n0.134159 0.250000 0.597072 O\n0.728880 0.070354 0.600806 O\n0.728880 0.429645 0.600806 O\n0.692387 0.618061 0.620897 O\n0.692387 0.881939 0.620897 O\n0.447909 0.664409 0.653306 O\n0.447909 0.835590 0.653306 O\n0.913371 0.167782 0.656069 O\n0.913371 0.332218 0.656069 O\n0.923976 0.007890 0.722135 O\n0.923976 0.492110 0.722135 O\n0.424004 0.007878 0.777835 O\n0.424004 0.492122 0.777835 O\n0.413395 0.167772 0.843931 O\n0.413395 0.332228 0.843931 O\n0.947945 0.664407 0.846757 O\n0.947945 0.835593 0.846757 O\n0.192452 0.618088 0.879228 O\n0.192452 0.881912 0.879228 O\n0.228907 0.070341 0.899108 O\n0.228907 0.429659 0.899108 O\n0.634202 0.250000 0.902916 O\n0.765391 0.750000 0.946822 O\n0.158497 0.587001 0.220027 Si\n0.158497 0.912999 0.220027 Si\n0.121719 0.250000 0.224392 Si\n0.621790 0.250000 0.275545 Si\n0.658456 0.586967 0.279952 Si\n0.658456 0.913033 0.279952 Si\n0.341544 0.086967 0.720049 Si\n0.341544 0.413033 0.720049 Si\n0.378210 0.750000 0.724456 Si\n0.878280 0.750000 0.775609 Si\n0.841503 0.087000 0.779971 Si\n0.841503 0.412999 0.779971 Si\n",
"nsites": 84,
"nelements": 4,
"elements": [
"H",
"Ho",
"O",
"Si"
],
"chemical_system": "H-Ho-O-Si",
"density": 5.919250072334697,
"density_atomic": 0.09670745863478472,
"volume": 868.5989807386586,
"volume_molar": 6.227173007143728,
"formula_full": "Ho12 Si12 H12 O48",
"formula_reduced": "HoSiHO4",
"formula_anonymous": "ABCD4",
"formation_energy": -2.88914465926655,
"spacegroup": 62
},
{
"id": "oqmd-1101063",
"created_at": "2022-09-04T15:34:11.802204Z",
"updated_at": "2022-09-04T15:34:11.802231Z",
"structure_string": "Tb12 Si12 H12 O48\n1.0\n0.000227 12.985653 0.000000\n0.000000 0.000000 15.650663\n4.338782 0.000075 0.000000\nH O Si Tb\n12 48 12 12\ndirect\n0.254219 0.086581 0.137634 H\n0.254219 0.413419 0.137634 H\n0.787083 0.750000 0.167181 H\n0.287076 0.750000 0.332820 H\n0.754216 0.086581 0.362392 H\n0.754216 0.413420 0.362392 H\n0.245784 0.586580 0.637608 H\n0.245784 0.913419 0.637608 H\n0.712923 0.250000 0.667178 H\n0.212917 0.250000 0.832822 H\n0.745780 0.586582 0.862364 H\n0.745780 0.913418 0.862364 H\n0.233510 0.250000 0.064515 O\n0.769837 0.570660 0.102458 O\n0.769837 0.929340 0.102458 O\n0.364817 0.750000 0.106787 O\n0.808668 0.115269 0.128775 O\n0.808668 0.384731 0.128775 O\n0.052065 0.164970 0.164223 O\n0.052065 0.335030 0.164223 O\n0.588646 0.667767 0.168650 O\n0.588646 0.832232 0.168650 O\n0.576860 0.507410 0.226402 O\n0.576860 0.992590 0.226402 O\n0.076879 0.507435 0.273619 O\n0.076879 0.992565 0.273619 O\n0.088633 0.667783 0.331365 O\n0.088633 0.832218 0.331365 O\n0.552070 0.164972 0.335747 O\n0.552070 0.335028 0.335747 O\n0.308661 0.115265 0.371256 O\n0.308661 0.384734 0.371256 O\n0.864851 0.750000 0.393263 O\n0.269843 0.570663 0.397586 O\n0.269843 0.929336 0.397586 O\n0.733531 0.250000 0.435441 O\n0.266469 0.750000 0.564559 O\n0.730156 0.070663 0.602414 O\n0.730156 0.429336 0.602414 O\n0.135149 0.250000 0.606739 O\n0.691339 0.615265 0.628744 O\n0.691339 0.884735 0.628744 O\n0.447931 0.664972 0.664253 O\n0.447931 0.835029 0.664253 O\n0.911367 0.167783 0.668633 O\n0.911367 0.332217 0.668633 O\n0.923122 0.007435 0.726379 O\n0.923122 0.492565 0.726379 O\n0.423140 0.007411 0.773596 O\n0.423140 0.492589 0.773596 O\n0.411354 0.167767 0.831352 O\n0.411354 0.332233 0.831352 O\n0.947935 0.664970 0.835777 O\n0.947935 0.835030 0.835777 O\n0.191332 0.615269 0.871225 O\n0.191332 0.884731 0.871225 O\n0.635183 0.250000 0.893215 O\n0.230163 0.070660 0.897544 O\n0.230163 0.429340 0.897544 O\n0.766490 0.750000 0.935487 O\n0.159194 0.585867 0.215598 Si\n0.159194 0.914133 0.215598 Si\n0.121407 0.250000 0.235327 Si\n0.621397 0.250000 0.264664 Si\n0.659224 0.585898 0.284393 Si\n0.659224 0.914101 0.284393 Si\n0.340775 0.085899 0.715607 Si\n0.340775 0.414101 0.715607 Si\n0.378604 0.750000 0.735334 Si\n0.878593 0.750000 0.764673 Si\n0.840806 0.085867 0.784402 Si\n0.840806 0.414133 0.784402 Si\n0.432258 0.596834 0.161260 Tb\n0.432258 0.903167 0.161260 Tb\n0.890238 0.250000 0.202393 Tb\n0.390237 0.250000 0.297611 Tb\n0.932254 0.596828 0.338756 Tb\n0.932254 0.903172 0.338756 Tb\n0.067746 0.096827 0.661244 Tb\n0.067746 0.403173 0.661244 Tb\n0.609763 0.750000 0.702389 Tb\n0.109761 0.750000 0.797608 Tb\n0.567743 0.096834 0.838743 Tb\n0.567743 0.403166 0.838743 Tb\n",
"nsites": 84,
"nelements": 4,
"elements": [
"H",
"O",
"Si",
"Tb"
],
"chemical_system": "H-O-Si-Tb",
"density": 5.695013612911077,
"density_atomic": 0.09526095319928628,
"volume": 881.7883632160564,
"volume_molar": 6.321730528353688,
"formula_full": "Tb12 Si12 H12 O48",
"formula_reduced": "TbSiHO4",
"formula_anonymous": "ABCD4",
"formation_energy": -2.79880379909988,
"spacegroup": 62
},
{
"id": "oqmd-1102869",
"created_at": "2022-09-04T15:34:41.623591Z",
"updated_at": "2022-09-04T15:34:41.623628Z",
"structure_string": "Yb12 Si12 H12 O48\n1.0\n8.892838 -0.000000 0.000000\n-4.446419 7.701424 0.000000\n0.000000 0.000000 13.121333\nH O Si Yb\n12 48 12 12\ndirect\n0.500000 0.000000 0.000000 H\n0.000000 0.500000 0.000495 H\n0.000000 0.000000 0.166667 H\n0.500000 0.000000 0.332838 H\n0.000000 0.500000 0.333334 H\n0.500000 0.500000 0.333829 H\n0.000000 0.000000 0.499999 H\n0.000000 0.500000 0.666171 H\n0.500000 0.500000 0.666666 H\n0.500000 0.000000 0.667162 H\n0.000000 0.000000 0.833333 H\n0.500000 0.500000 0.999505 H\n0.350631 0.431783 0.004957 O\n0.649368 0.568217 0.004957 O\n0.718985 0.168497 0.005750 O\n0.281014 0.831503 0.005750 O\n0.171037 0.030415 0.104554 O\n0.828962 0.969584 0.104554 O\n0.731199 0.412490 0.136474 O\n0.268801 0.587510 0.136474 O\n0.587510 0.268801 0.196860 O\n0.412490 0.731199 0.196860 O\n0.030415 0.171039 0.228779 O\n0.969586 0.828962 0.228779 O\n0.831502 0.281014 0.327583 O\n0.168496 0.718985 0.327583 O\n0.431783 0.350631 0.328377 O\n0.568218 0.649370 0.328377 O\n0.431783 0.081151 0.338290 O\n0.568218 0.918848 0.338290 O\n0.168497 0.449512 0.339084 O\n0.831503 0.550489 0.339084 O\n0.969586 0.140623 0.437887 O\n0.030416 0.859377 0.437887 O\n0.587510 0.318709 0.469807 O\n0.412490 0.681291 0.469807 O\n0.731199 0.318709 0.530193 O\n0.268801 0.681291 0.530193 O\n0.171038 0.140623 0.562113 O\n0.828962 0.859377 0.562113 O\n0.281015 0.449512 0.660916 O\n0.718986 0.550489 0.660916 O\n0.649369 0.081151 0.661709 O\n0.350631 0.918848 0.661709 O\n0.918850 0.350631 0.671623 O\n0.081152 0.649370 0.671623 O\n0.449512 0.281014 0.672418 O\n0.550489 0.718985 0.672418 O\n0.140623 0.171039 0.771220 O\n0.859377 0.828962 0.771220 O\n0.681291 0.268801 0.803140 O\n0.318709 0.731199 0.803140 O\n0.681291 0.412490 0.863526 O\n0.318709 0.587510 0.863526 O\n0.859377 0.030415 0.895446 O\n0.140623 0.969584 0.895446 O\n0.449511 0.168497 0.994250 O\n0.550489 0.831503 0.994250 O\n0.081151 0.431783 0.995043 O\n0.918848 0.568217 0.995043 O\n0.247767 0.000000 0.000000 Si\n0.752233 0.000000 0.000000 Si\n0.710009 0.420018 0.000000 Si\n0.289991 0.579982 0.000000 Si\n0.000000 0.247766 0.333334 Si\n0.579981 0.289991 0.333334 Si\n0.420019 0.710010 0.333334 Si\n0.000000 0.752234 0.333334 Si\n0.247767 0.247766 0.666666 Si\n0.710008 0.289991 0.666666 Si\n0.289991 0.710010 0.666666 Si\n0.752233 0.752234 0.666666 Si\n0.801954 0.198047 0.166667 Yb\n0.296728 0.296728 0.166667 Yb\n0.703272 0.703273 0.166667 Yb\n0.198046 0.801953 0.166667 Yb\n0.296728 0.000000 0.499999 Yb\n0.703272 0.000000 0.499999 Yb\n0.198046 0.396093 0.499999 Yb\n0.801953 0.603907 0.499999 Yb\n0.396093 0.198046 0.833333 Yb\n0.000000 0.296728 0.833333 Yb\n0.000000 0.703273 0.833333 Yb\n0.603907 0.801953 0.833333 Yb\n",
"nsites": 84,
"nelements": 4,
"elements": [
"H",
"O",
"Si",
"Yb"
],
"chemical_system": "H-O-Si-Yb",
"density": 5.9011479391615,
"density_atomic": 0.09347380329347091,
"volume": 898.6475037960432,
"volume_molar": 6.442597335098103,
"formula_full": "Yb12 Si12 H12 O48",
"formula_reduced": "YbSiHO4",
"formula_anonymous": "ABCD4",
"formation_energy": -2.17878633950465,
"spacegroup": 181
},
{
"id": "oqmd-677242",
"created_at": "2022-09-04T15:52:19.781136Z",
"updated_at": "2022-09-04T15:52:19.781167Z",
"structure_string": "K4 Al8 P8 H20 O44\n1.0\n9.123606 0.000000 0.000000\n0.000000 9.532551 0.000000\n0.000000 0.000000 9.572265\nAl H K O P\n8 20 4 44 8\ndirect\n0.914344 0.754849 0.151737 Al\n0.645697 0.993407 0.200812 Al\n0.354303 0.493407 0.299188 Al\n0.085656 0.254849 0.348263 Al\n0.585656 0.245151 0.651737 Al\n0.854303 0.006593 0.700812 Al\n0.145697 0.506593 0.799188 Al\n0.414344 0.745151 0.848263 Al\n0.811511 0.951215 0.009785 H\n0.067103 0.198977 0.054005 H\n0.556815 0.410582 0.071864 H\n0.696821 0.248044 0.109494 H\n0.839214 0.175776 0.190013 H\n0.160786 0.675776 0.309987 H\n0.303179 0.748044 0.390506 H\n0.443185 0.910582 0.428136 H\n0.932897 0.698977 0.445995 H\n0.188489 0.451215 0.490215 H\n0.688489 0.048785 0.509785 H\n0.432897 0.801023 0.554005 H\n0.943185 0.589418 0.571864 H\n0.803179 0.751956 0.609494 H\n0.660786 0.824224 0.690013 H\n0.339214 0.324224 0.809987 H\n0.196821 0.251956 0.890506 H\n0.056815 0.089418 0.928136 H\n0.567103 0.301023 0.945995 H\n0.311511 0.548785 0.990215 H\n0.264453 0.944977 0.154118 K\n0.735547 0.444977 0.345882 K\n0.235547 0.055023 0.654118 K\n0.764453 0.555023 0.845882 K\n0.625991 0.359088 0.011039 O\n0.049653 0.788201 0.021576 O\n0.534613 0.030042 0.036169 O\n0.806957 0.914580 0.106762 O\n0.246194 0.468481 0.132256 O\n0.751918 0.646998 0.138236 O\n0.020423 0.324735 0.181908 O\n0.731441 0.180692 0.185998 O\n0.506088 0.558929 0.188086 O\n0.008452 0.586975 0.203152 O\n0.552836 0.817536 0.221240 O\n0.447164 0.317536 0.278760 O\n0.991548 0.086975 0.296848 O\n0.493912 0.058929 0.311914 O\n0.268559 0.680692 0.314002 O\n0.979577 0.824735 0.318092 O\n0.248082 0.146998 0.361764 O\n0.753806 0.968481 0.367744 O\n0.193043 0.414580 0.393238 O\n0.465387 0.530042 0.463831 O\n0.950347 0.288201 0.478424 O\n0.374009 0.859088 0.488961 O\n0.874009 0.640912 0.511039 O\n0.450347 0.211799 0.521576 O\n0.965387 0.969958 0.536169 O\n0.693043 0.085420 0.606762 O\n0.253806 0.531519 0.632256 O\n0.748082 0.353002 0.638236 O\n0.479577 0.675265 0.681908 O\n0.768559 0.819308 0.685998 O\n0.993912 0.441071 0.688086 O\n0.491548 0.413025 0.703152 O\n0.947164 0.182464 0.721240 O\n0.052836 0.682464 0.778760 O\n0.508452 0.913025 0.796848 O\n0.006088 0.941071 0.811914 O\n0.231441 0.319308 0.814002 O\n0.520423 0.175265 0.818092 O\n0.251918 0.853002 0.861764 O\n0.746194 0.031519 0.867744 O\n0.306957 0.585420 0.893238 O\n0.034613 0.469958 0.963831 O\n0.549653 0.711799 0.978424 O\n0.125991 0.140912 0.988961 O\n0.077517 0.466868 0.118320 P\n0.587104 0.688252 0.133483 P\n0.412896 0.188252 0.366517 P\n0.922483 0.966868 0.381680 P\n0.422483 0.533132 0.618320 P\n0.912896 0.311748 0.633483 P\n0.087104 0.811748 0.866517 P\n0.577517 0.033132 0.881680 P\n",
"nsites": 84,
"nelements": 5,
"elements": [
"Al",
"H",
"K",
"O",
"P"
],
"chemical_system": "Al-H-K-O-P",
"density": 2.681095466883187,
"density_atomic": 0.10089947656849965,
"volume": 832.5117518619954,
"volume_molar": 5.968455897698962,
"formula_full": "K4 Al8 P8 H20 O44",
"formula_reduced": "KAl2P2H5O11",
"formula_anonymous": "AB2C2D5E11",
"formation_energy": -2.2916301948098603,
"spacegroup": 19
},
{
"id": "oqmd-38625",
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