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{
"id": "mp-1048190",
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"structure_string": "Ba2 Y1 Mo3 O8\n1.0\n4.197118 0.000000 0.000000\n0.000000 4.197118 0.000000\n0.000000 0.000000 11.810162\nBa Y Mo O\n2 1 3 8\ndirect\n0.000000 0.000000 0.169571 Ba\n0.000000 0.000000 0.830429 Ba\n0.000000 0.000000 0.500000 Y\n0.500000 0.500000 0.357759 Mo\n0.500000 0.500000 0.000000 Mo\n0.500000 0.500000 0.642241 Mo\n0.500000 0.000000 0.381216 O\n0.000000 0.500000 0.381216 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.173164 O\n0.500000 0.000000 0.618784 O\n0.000000 0.500000 0.618784 O\n0.500000 0.500000 0.826836 O\n0.500000 0.000000 0.000000 O\n",
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{
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"nsites": 43,
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"elements": [
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"formula_full": "Mg5 Si8 O30",
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"spacegroup": 12
},
{
"id": "mp-850994",
"created_at": "2022-09-04T14:41:13.343797Z",
"structure_string": "Li4 Mn8 B8 O24\n1.0\n5.819303 0.000000 0.000000\n2.324266 8.932755 0.000000\n1.605087 1.296312 9.655983\nLi Mn B O\n4 8 8 24\ndirect\n0.285144 0.807453 0.885338 Li\n0.714856 0.192547 0.114662 Li\n0.442738 0.691189 0.365908 Li\n0.557262 0.308811 0.634092 Li\n0.889422 0.408531 0.861771 Mn\n0.875577 0.098753 0.375967 Mn\n0.344605 0.130331 0.895875 Mn\n0.110578 0.591469 0.138229 Mn\n0.379587 0.357434 0.374717 Mn\n0.124423 0.901247 0.624033 Mn\n0.655395 0.869669 0.104125 Mn\n0.620413 0.642566 0.625283 Mn\n0.884085 0.054796 0.873149 B\n0.844837 0.443306 0.392528 B\n0.364051 0.471589 0.881136 B\n0.115915 0.945204 0.126851 B\n0.403720 0.026682 0.351125 B\n0.155163 0.556694 0.607472 B\n0.635949 0.528411 0.118864 B\n0.596280 0.973318 0.648875 B\n0.001346 0.172789 0.848228 O\n0.769219 0.639508 0.090900 O\n0.024921 0.078211 0.179345 O\n0.746768 0.578708 0.439024 O\n0.975079 0.921789 0.820655 O\n0.055318 0.425339 0.298065 O\n0.801389 0.945905 0.551049 O\n0.230781 0.360492 0.909100 O\n0.998654 0.827211 0.151772 O\n0.198611 0.054095 0.448951 O\n0.944682 0.574661 0.701935 O\n0.290909 0.599824 0.941377 O\n0.253232 0.421292 0.560976 O\n0.569786 0.446667 0.782293 O\n0.323804 0.927298 0.028462 O\n0.530950 0.143263 0.314107 O\n0.266786 0.678866 0.570917 O\n0.676196 0.072702 0.971538 O\n0.430214 0.553333 0.217707 O\n0.521214 0.105481 0.700989 O\n0.709091 0.400176 0.058623 O\n0.478786 0.894519 0.299011 O\n0.733214 0.321134 0.429083 O\n0.469050 0.856737 0.685893 O\n",
"nsites": 44,
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],
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"volume": 501.9412476551154,
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"formula_full": "Li4 Mn8 B8 O24",
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"formula_anonymous": "AB2C2D6",
"energy": -360.10333405,
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"updated_at": "2021-11-28T01:35:14.343000Z",
"spacegroup": 2
},
{
"id": "mp-760792",
"created_at": "2022-09-04T14:41:07.085286Z",
"structure_string": "Li8 V8 O8 F16\n1.0\n5.394602 0.000000 0.000000\n-0.002133 8.956491 0.000000\n-1.461534 -0.013452 9.705221\nLi V O F\n8 8 8 16\ndirect\n0.809647 0.407879 0.194942 Li\n0.186587 0.095204 0.304412 Li\n0.308294 0.590056 0.195393 Li\n0.687388 0.916489 0.303880 Li\n0.322459 0.092081 0.678802 Li\n0.671774 0.408177 0.809600 Li\n0.823844 0.915723 0.680363 Li\n0.175263 0.586911 0.821920 Li\n0.765600 0.736904 0.012788 V\n0.752796 0.095021 0.013489 V\n0.252400 0.903795 0.014788 V\n0.266138 0.261257 0.012598 V\n0.253086 0.762586 0.490328 V\n0.259108 0.401300 0.487343 V\n0.737095 0.574458 0.501154 V\n0.732248 0.243700 0.491100 V\n0.122867 0.085141 0.096763 O\n0.623376 0.913316 0.097447 O\n0.603268 0.247665 0.101817 O\n0.101320 0.751582 0.103748 O\n0.403681 0.250334 0.391618 O\n0.378267 0.590935 0.402773 O\n0.891810 0.416490 0.403218 O\n0.599435 0.419522 0.607017 O\n0.131241 0.413814 0.130536 F\n0.633129 0.587868 0.135059 F\n0.872200 0.084198 0.373603 F\n0.889113 0.748667 0.398460 F\n0.363808 0.912140 0.369579 F\n0.649027 0.090538 0.628675 F\n0.112672 0.594783 0.615724 F\n0.103752 0.247290 0.609247 F\n0.151122 0.906768 0.626970 F\n0.611021 0.754776 0.603532 F\n0.895702 0.246765 0.890600 F\n0.888871 0.912252 0.883343 F\n0.344989 0.408295 0.872042 F\n0.394055 0.750858 0.890997 F\n0.388294 0.084478 0.883538 F\n0.843252 0.589987 0.870791 F\n",
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"spacegroup": 1
},
{
"id": "mp-754905",
"created_at": "2022-09-04T14:41:08.841985Z",
"structure_string": "Ni6 O2 F10\n1.0\n3.092243 0.000000 0.000000\n0.000000 4.695179 0.000000\n0.000000 0.254366 14.087377\nNi O F\n6 2 10\ndirect\n0.000000 0.000000 0.000000 Ni\n0.000000 0.009713 0.331015 Ni\n0.000000 0.990287 0.668985 Ni\n0.500000 0.486932 0.170669 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.513068 0.829331 Ni\n0.000000 0.698740 0.767102 O\n0.000000 0.301260 0.232898 O\n0.500000 0.802205 0.268694 F\n0.500000 0.804247 0.599411 F\n0.500000 0.802642 0.935272 F\n0.000000 0.695096 0.103117 F\n0.000000 0.698750 0.432610 F\n0.000000 0.301250 0.567390 F\n0.000000 0.304904 0.896883 F\n0.500000 0.197358 0.064728 F\n0.500000 0.195753 0.400589 F\n0.500000 0.197795 0.731306 F\n",
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"elements": [
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"density": 4.6613685418518696,
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"spacegroup": 10
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{
"id": "mp-1042566",
"created_at": "2022-09-04T14:41:07.087759Z",
"structure_string": "Mg8 Co8 Sb16 O56\n1.0\n15.421057 0.000000 0.000000\n0.000000 7.032832 0.000000\n0.000000 2.976417 11.083419\nMg Co Sb O\n8 8 16 56\ndirect\n0.522654 0.959053 0.742586 Mg\n0.897782 0.707941 0.905341 Mg\n0.397782 0.292059 0.594659 Mg\n0.102218 0.292059 0.094659 Mg\n0.602218 0.707941 0.405341 Mg\n0.977346 0.959053 0.242586 Mg\n0.477346 0.040947 0.257414 Mg\n0.022654 0.040947 0.757414 Mg\n0.633249 0.315714 0.098316 Co\n0.133249 0.684286 0.401684 Co\n0.366751 0.684286 0.901684 Co\n0.866751 0.315714 0.598316 Co\n0.776368 0.005903 0.237789 Co\n0.276368 0.994097 0.262211 Co\n0.223632 0.994097 0.762211 Co\n0.723632 0.005903 0.737789 Co\n0.911197 0.190250 0.963951 Sb\n0.048552 0.563331 0.697396 Sb\n0.451448 0.563331 0.197396 Sb\n0.951448 0.436669 0.302604 Sb\n0.749165 0.504013 0.778168 Sb\n0.249165 0.495987 0.721832 Sb\n0.250835 0.495987 0.221832 Sb\n0.750835 0.504013 0.278168 Sb\n0.548552 0.436669 0.802604 Sb\n0.115146 0.156475 0.465915 Sb\n0.615146 0.843525 0.034085 Sb\n0.884854 0.843525 0.534085 Sb\n0.411197 0.809750 0.536049 Sb\n0.588803 0.190250 0.463951 Sb\n0.088803 0.809750 0.036049 Sb\n0.384854 0.156475 0.965915 Sb\n0.017363 0.317704 0.959684 O\n0.517363 0.682296 0.540316 O\n0.982637 0.682296 0.040316 O\n0.482637 0.317704 0.459684 O\n0.914947 0.009538 0.866225 O\n0.414947 0.990462 0.633775 O\n0.085053 0.990462 0.133775 O\n0.585053 0.009538 0.366225 O\n0.876002 0.038315 0.121020 O\n0.376002 0.961685 0.378980 O\n0.123998 0.961685 0.878980 O\n0.623998 0.038315 0.621020 O\n0.324778 0.397993 0.887928 O\n0.824778 0.602007 0.612072 O\n0.675222 0.602007 0.112072 O\n0.175222 0.397993 0.387928 O\n0.377988 0.053560 0.137276 O\n0.877988 0.946440 0.362724 O\n0.622012 0.946440 0.862724 O\n0.122012 0.053560 0.637276 O\n0.340289 0.964544 0.892910 O\n0.481552 0.666072 0.805998 O\n0.840289 0.035456 0.607090 O\n0.159711 0.964544 0.392910 O\n0.487604 0.253878 0.732028 O\n0.987604 0.746122 0.767972 O\n0.512396 0.746122 0.267972 O\n0.012396 0.253878 0.232028 O\n0.503861 0.251356 0.962972 O\n0.003861 0.748644 0.537028 O\n0.496139 0.748644 0.037028 O\n0.996139 0.251356 0.462972 O\n0.859392 0.552043 0.181876 O\n0.359392 0.447957 0.318124 O\n0.140608 0.447957 0.818124 O\n0.640608 0.552043 0.681876 O\n0.722394 0.260165 0.235254 O\n0.222394 0.739835 0.264746 O\n0.277606 0.739835 0.764746 O\n0.777606 0.260165 0.735254 O\n0.658383 0.426473 0.412144 O\n0.158383 0.573527 0.087856 O\n0.341617 0.573527 0.587856 O\n0.841617 0.426473 0.912144 O\n0.723355 0.751120 0.315879 O\n0.223355 0.248880 0.184121 O\n0.276645 0.248880 0.684121 O\n0.776645 0.751120 0.815879 O\n0.845873 0.410043 0.409961 O\n0.345873 0.589957 0.090039 O\n0.154127 0.589957 0.590039 O\n0.654127 0.410043 0.909961 O\n0.018448 0.666072 0.305998 O\n0.518448 0.333928 0.194002 O\n0.981552 0.333928 0.694002 O\n0.659711 0.035456 0.107090 O\n",
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"formula_full": "Mg8 Co8 Sb16 O56",
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"spacegroup": 14
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{
"id": "mp-779451",
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"structure_string": "Fe4 O2 F6\n1.0\n3.398999 -3.505748 0.000000\n3.398999 3.505748 0.000000\n0.000000 0.000000 6.169951\nFe O F\n4 2 6\ndirect\n0.969449 0.969449 0.750000 Fe\n0.030551 0.030551 0.250000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.331863 0.331863 0.250000 O\n0.668137 0.668137 0.750000 O\n0.795145 0.204855 0.000000 F\n0.795145 0.204855 0.500000 F\n0.290134 0.290134 0.750000 F\n0.709866 0.709866 0.250000 F\n0.204855 0.795145 0.500000 F\n0.204855 0.795145 0.000000 F\n",
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{
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