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{
"id": "mp-1195968",
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"structure_string": "Cs4 Al4 V4 P8 H8 O40\n1.0\n8.133348 0.000000 0.000000\n0.000000 8.246654 0.000000\n-4.046246 0.000000 13.815282\nCs Al V P H O\n4 4 4 8 8 40\ndirect\n0.828547 0.965086 0.709719 Cs\n0.171453 0.465086 0.790281 Cs\n0.171453 0.034914 0.290281 Cs\n0.828547 0.534914 0.209719 Cs\n0.784072 0.966107 0.031472 Al\n0.215928 0.466107 0.468528 Al\n0.215928 0.033893 0.968528 Al\n0.784072 0.533893 0.531472 Al\n0.285789 0.946347 0.641221 V\n0.714211 0.446347 0.858779 V\n0.714211 0.053653 0.358779 V\n0.285789 0.553653 0.141221 V\n0.005483 0.225084 0.540682 P\n0.994517 0.725084 0.959318 P\n0.994517 0.774916 0.459318 P\n0.005483 0.274916 0.040682 P\n0.497614 0.107279 0.855081 P\n0.502386 0.607279 0.644919 P\n0.502386 0.892721 0.144919 P\n0.497614 0.392721 0.355081 P\n0.474826 0.212276 0.607948 H\n0.525174 0.712276 0.892052 H\n0.525174 0.787724 0.392052 H\n0.474826 0.287724 0.107948 H\n0.473741 0.150797 0.503327 H\n0.526259 0.650797 0.996673 H\n0.526259 0.849203 0.496673 H\n0.473741 0.349203 0.003327 H\n0.102741 0.282505 0.467069 O\n0.897259 0.782505 0.032931 O\n0.897259 0.717495 0.532931 O\n0.102741 0.217495 0.967069 O\n0.936193 0.381671 0.578790 O\n0.063807 0.881671 0.921210 O\n0.063807 0.618329 0.421210 O\n0.936193 0.118329 0.078790 O\n0.854060 0.114748 0.492849 O\n0.145940 0.614748 0.007151 O\n0.145940 0.885252 0.507151 O\n0.854060 0.385252 0.992849 O\n0.130252 0.145300 0.629676 O\n0.869748 0.645300 0.870324 O\n0.869748 0.854700 0.370324 O\n0.130252 0.354700 0.129676 O\n0.456461 0.117809 0.565707 O\n0.543539 0.617809 0.934293 O\n0.543539 0.882191 0.434293 O\n0.456461 0.382191 0.065707 O\n0.473232 0.789947 0.622229 O\n0.526768 0.289947 0.877771 O\n0.526768 0.210053 0.377771 O\n0.473232 0.710053 0.122229 O\n0.203835 0.828179 0.707534 O\n0.796165 0.328179 0.792466 O\n0.796165 0.171821 0.292466 O\n0.203835 0.671821 0.207534 O\n0.656134 0.006358 0.913144 O\n0.343866 0.506358 0.586856 O\n0.343866 0.993642 0.086856 O\n0.656134 0.493642 0.413144 O\n0.341388 0.055686 0.889676 O\n0.658612 0.555686 0.610324 O\n0.658612 0.944314 0.110324 O\n0.341388 0.444314 0.389676 O\n0.465253 0.066984 0.747940 O\n0.534747 0.566984 0.752060 O\n0.534747 0.933016 0.252060 O\n0.465253 0.433016 0.247940 O\n",
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"formula_full": "Cs4 Al4 V4 P8 H8 O40",
"formula_reduced": "CsAlVP2(HO5)2",
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{
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"created_at": "2022-09-04T14:42:09.123239Z",
"structure_string": "Li5 Fe7 O3 F13\n1.0\n3.131495 5.331840 0.000000\n-3.131495 5.331840 0.000000\n0.000000 3.577152 10.177464\nLi Fe O F\n5 7 3 13\ndirect\n0.633140 0.633140 0.111040 Li\n0.996482 0.996482 0.018198 Li\n0.122821 0.122821 0.611331 Li\n0.502524 0.502524 0.511863 Li\n0.569387 0.569387 0.808642 Li\n0.064501 0.567952 0.313416 Fe\n0.320086 0.320086 0.058672 Fe\n0.064712 0.064712 0.312271 Fe\n0.567952 0.064501 0.313416 Fe\n0.582228 0.062796 0.804628 Fe\n0.819733 0.819733 0.571742 Fe\n0.062796 0.582228 0.804628 Fe\n0.202659 0.202659 0.400506 O\n0.927869 0.927869 0.220643 O\n0.924640 0.924640 0.694244 O\n0.443181 0.443181 0.176663 F\n0.950773 0.443033 0.172422 F\n0.443033 0.950773 0.172422 F\n0.685016 0.193846 0.443484 F\n0.696664 0.696664 0.454261 F\n0.193846 0.685016 0.443484 F\n0.447630 0.926865 0.692655 F\n0.926865 0.447630 0.692655 F\n0.688336 0.688336 0.922904 F\n0.438430 0.438430 0.705159 F\n0.202188 0.669639 0.940609 F\n0.204504 0.204504 0.927030 F\n0.669639 0.202188 0.940609 F\n",
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],
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"formula_full": "Li5 Fe7 O3 F13",
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"spacegroup": 8
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{
"id": "mp-23755",
"created_at": "2022-09-04T14:39:36.469888Z",
"structure_string": "Ba4 H12 C12 O28\n1.0\n18.310643 0.000000 0.000000\n0.000000 5.760054 0.000000\n0.000000 4.789246 6.706949\nBa H C O\n4 12 12 28\ndirect\n0.415907 0.853838 0.877309 Ba\n0.915907 0.146162 0.622691 Ba\n0.584093 0.146162 0.122691 Ba\n0.084093 0.853838 0.377309 Ba\n0.104403 0.151911 0.654109 H\n0.250099 0.342325 0.148491 H\n0.750099 0.657675 0.351509 H\n0.749901 0.657675 0.851509 H\n0.249901 0.342325 0.648491 H\n0.604403 0.848089 0.845891 H\n0.895597 0.848089 0.345891 H\n0.395597 0.151911 0.154109 H\n0.566180 0.756122 0.713760 H\n0.433820 0.243878 0.286240 H\n0.933820 0.756122 0.213760 H\n0.066180 0.243878 0.786240 H\n0.984386 0.515792 0.081811 C\n0.264932 0.924775 0.148024 C\n0.764932 0.075225 0.351976 C\n0.735068 0.075225 0.851976 C\n0.235068 0.924775 0.648024 C\n0.484386 0.484208 0.418189 C\n0.015614 0.484208 0.918189 C\n0.515614 0.515792 0.581811 C\n0.272346 0.667484 0.664431 C\n0.772346 0.332516 0.835569 C\n0.727654 0.332516 0.335569 C\n0.227654 0.667484 0.164431 C\n0.064404 0.266450 0.655618 O\n0.564404 0.733550 0.844382 O\n0.935596 0.733550 0.344382 O\n0.435596 0.266450 0.155618 O\n0.551667 0.741388 0.520118 O\n0.272929 0.526348 0.126175 O\n0.772929 0.473652 0.373825 O\n0.727071 0.473652 0.873825 O\n0.227071 0.526348 0.626175 O\n0.331879 0.965076 0.107304 O\n0.831879 0.034924 0.392696 O\n0.668121 0.034924 0.892696 O\n0.277113 0.069488 0.680916 O\n0.777113 0.930512 0.819084 O\n0.722887 0.930512 0.319084 O\n0.222887 0.069488 0.180916 O\n0.997215 0.317327 0.262956 O\n0.497215 0.682673 0.237044 O\n0.002785 0.682673 0.737044 O\n0.502785 0.317327 0.762956 O\n0.168121 0.965076 0.607304 O\n0.948333 0.741388 0.020118 O\n0.448333 0.258612 0.479882 O\n0.051667 0.258612 0.979882 O\n0.337046 0.607425 0.711177 O\n0.837046 0.392575 0.788823 O\n0.662954 0.392575 0.288823 O\n0.162954 0.607425 0.211177 O\n",
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"formula_full": "Ba4 H12 C12 O28",
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{
"id": "mp-1105409",
"created_at": "2022-09-04T14:45:55.066302Z",
"structure_string": "Y2 Sb2 Pb4 O12\n1.0\n2.968455 5.176113 0.000000\n-2.968455 5.176113 0.000000\n0.000000 3.332184 9.758365\nY Sb Pb O\n2 2 4 12\ndirect\n0.252491 0.747509 0.250000 Y\n0.747509 0.252491 0.750000 Y\n0.000000 0.500000 0.000000 Sb\n0.500000 0.000000 0.500000 Sb\n0.653805 0.081196 0.127300 Pb\n0.918804 0.346195 0.372700 Pb\n0.346195 0.918804 0.872700 Pb\n0.081196 0.653805 0.627300 Pb\n0.105553 0.690577 0.087065 O\n0.309423 0.894447 0.412935 O\n0.894447 0.309423 0.912935 O\n0.690577 0.105553 0.587065 O\n0.889686 0.816374 0.850434 O\n0.183626 0.110314 0.649566 O\n0.110314 0.183626 0.149566 O\n0.816374 0.889686 0.350434 O\n0.670656 0.640797 0.615756 O\n0.359203 0.329344 0.884244 O\n0.329344 0.359203 0.384244 O\n0.640797 0.670656 0.115756 O\n",
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{
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"structure_string": "Na8 Sb8 O16\n1.0\n5.508223 0.000000 0.000000\n0.000000 6.769669 0.000000\n0.000000 0.000000 16.617083\nNa Sb O\n8 8 16\ndirect\n0.760805 0.407091 0.204004 Na\n0.260805 0.092909 0.204004 Na\n0.760805 0.907091 0.295996 Na\n0.260805 0.592909 0.295996 Na\n0.739195 0.407091 0.704004 Na\n0.239195 0.092909 0.704004 Na\n0.739195 0.907091 0.795996 Na\n0.239195 0.592909 0.795996 Na\n0.750901 0.916750 0.083167 Sb\n0.250901 0.583250 0.083167 Sb\n0.750901 0.416750 0.416833 Sb\n0.250901 0.083250 0.416833 Sb\n0.749099 0.916750 0.583167 Sb\n0.249099 0.583250 0.583167 Sb\n0.749099 0.416750 0.916833 Sb\n0.249099 0.083250 0.916833 Sb\n0.077658 0.827753 0.124599 O\n0.577658 0.672247 0.124599 O\n0.681331 0.080428 0.174044 O\n0.181331 0.419572 0.174044 O\n0.181331 0.919572 0.325956 O\n0.681331 0.580428 0.325956 O\n0.077658 0.327753 0.375401 O\n0.577658 0.172247 0.375401 O\n0.422342 0.827753 0.624599 O\n0.922342 0.672247 0.624599 O\n0.318669 0.419572 0.674044 O\n0.818669 0.080428 0.674044 O\n0.318669 0.919572 0.825956 O\n0.818669 0.580428 0.825956 O\n0.422342 0.327753 0.875401 O\n0.922342 0.172247 0.875401 O\n",
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{
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"structure_string": "Rb1 As4 H3 O12\n1.0\n5.193526 0.002459 0.890834\n0.103208 6.451964 3.305883\n-0.081507 0.034099 8.060790\nRb As H O\n1 4 3 12\ndirect\n0.003089 0.994507 0.001308 Rb\n0.845157 0.688082 0.678831 As\n0.147509 0.324340 0.310653 As\n0.399937 0.880411 0.433912 As\n0.596926 0.125881 0.562597 As\n0.490722 0.657705 0.299880 H\n0.508440 0.342676 0.702539 H\n0.976864 0.499876 0.979608 H\n0.886988 0.468533 0.884703 O\n0.091364 0.534321 0.110017 O\n0.780110 0.892125 0.736114 O\n0.220226 0.110625 0.264114 O\n0.584652 0.631839 0.603803 O\n0.413829 0.368425 0.392438 O\n0.313893 0.961665 0.621949 O\n0.690103 0.034726 0.380354 O\n0.112444 0.710009 0.512825 O\n0.888689 0.287147 0.489646 O\n0.495766 0.811142 0.245589 O\n0.500293 0.189966 0.754119 O\n",
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{
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