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{
"id": "mp-1211747",
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"structure_string": "K4 Zr12 Be2 Cl30\n1.0\n5.795372 -8.301323 0.000000\n5.795372 8.301323 0.000000\n0.000000 0.000000 14.381362\nK Zr Be Cl\n4 12 2 30\ndirect\n0.000000 0.000000 0.250000 K\n0.000000 0.000000 0.750000 K\n0.500000 0.000000 0.000000 K\n0.000000 0.500000 0.500000 K\n0.005263 0.267924 0.000000 Zr\n0.994737 0.732076 0.000000 Zr\n0.732076 0.994737 0.500000 Zr\n0.267924 0.005263 0.500000 Zr\n0.822337 0.440486 0.118477 Zr\n0.177663 0.559514 0.881523 Zr\n0.177663 0.559514 0.118477 Zr\n0.559514 0.177663 0.381523 Zr\n0.822337 0.440486 0.881523 Zr\n0.440486 0.822337 0.618477 Zr\n0.440486 0.822337 0.381523 Zr\n0.559514 0.177663 0.618477 Zr\n0.000000 0.500000 0.000000 Be\n0.500000 0.000000 0.500000 Be\n0.626756 0.373244 0.250000 Cl\n0.373244 0.626756 0.750000 Cl\n0.373244 0.626756 0.250000 Cl\n0.626756 0.373244 0.750000 Cl\n0.000000 0.500000 0.253705 Cl\n0.000000 0.500000 0.746295 Cl\n0.500000 0.000000 0.246295 Cl\n0.500000 0.000000 0.753705 Cl\n0.192728 0.309461 0.128309 Cl\n0.807272 0.690539 0.871691 Cl\n0.807272 0.690539 0.128309 Cl\n0.690539 0.807272 0.371691 Cl\n0.192728 0.309461 0.871691 Cl\n0.309461 0.192728 0.628309 Cl\n0.309461 0.192728 0.371691 Cl\n0.690539 0.807272 0.628309 Cl\n0.383282 0.637436 0.000000 Cl\n0.616718 0.362564 0.000000 Cl\n0.362564 0.616718 0.500000 Cl\n0.637436 0.383282 0.500000 Cl\n0.822188 0.190547 0.375811 Cl\n0.177812 0.809453 0.624189 Cl\n0.177812 0.809453 0.375811 Cl\n0.809453 0.177812 0.124189 Cl\n0.822188 0.190547 0.624189 Cl\n0.190547 0.822188 0.875811 Cl\n0.190547 0.822188 0.124189 Cl\n0.809453 0.177812 0.875811 Cl\n0.000000 0.000000 0.000000 Cl\n0.000000 0.000000 0.500000 Cl\n",
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{
"id": "mp-1212996",
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"structure_string": "Gd12 V4 Ge4 O36\n1.0\n6.313255 0.000000 -2.973026\n-6.335085 0.000000 -6.802196\n0.000000 12.367574 0.000000\nGd V Ge O\n12 4 4 36\ndirect\n0.673077 0.622809 0.369226 Gd\n0.326923 0.377191 0.630774 Gd\n0.826923 0.877191 0.869226 Gd\n0.173077 0.122809 0.130774 Gd\n0.239921 0.844863 0.364998 Gd\n0.760079 0.155137 0.635002 Gd\n0.260079 0.655137 0.864998 Gd\n0.739921 0.344863 0.135002 Gd\n0.503753 0.875656 0.106105 Gd\n0.496247 0.124344 0.893895 Gd\n0.996247 0.624344 0.606105 Gd\n0.003753 0.375656 0.393895 Gd\n0.196669 0.979600 0.662909 V\n0.803331 0.020400 0.337091 V\n0.303331 0.520400 0.162909 V\n0.696669 0.479600 0.837091 V\n0.949961 0.758896 0.101389 Ge\n0.050039 0.241104 0.898611 Ge\n0.550039 0.741104 0.601389 Ge\n0.449961 0.258896 0.398611 Ge\n0.899148 0.867179 0.341854 O\n0.100852 0.132821 0.658146 O\n0.600852 0.632821 0.841854 O\n0.399148 0.367179 0.158146 O\n0.659450 0.590065 0.575350 O\n0.340550 0.409935 0.424650 O\n0.840550 0.909935 0.075350 O\n0.159450 0.090065 0.924650 O\n0.168325 0.877768 0.543162 O\n0.831675 0.122232 0.456838 O\n0.331675 0.622232 0.043162 O\n0.668325 0.377768 0.956838 O\n0.785913 0.610172 0.173774 O\n0.214087 0.389828 0.826226 O\n0.714087 0.889828 0.673774 O\n0.285913 0.110172 0.326226 O\n0.075650 0.835476 0.753580 O\n0.924350 0.164524 0.246420 O\n0.424350 0.664524 0.253580 O\n0.575650 0.335476 0.746420 O\n0.998234 0.616027 0.420564 O\n0.001766 0.383973 0.579436 O\n0.501766 0.883973 0.920564 O\n0.498234 0.116027 0.079436 O\n0.177417 0.863808 0.170694 O\n0.822583 0.136192 0.829306 O\n0.322583 0.636192 0.670694 O\n0.677417 0.363808 0.329306 O\n0.561383 0.960705 0.287402 O\n0.438617 0.039295 0.712598 O\n0.938617 0.539295 0.787402 O\n0.061383 0.460705 0.212598 O\n0.495203 0.775824 0.465986 O\n0.504797 0.224176 0.534014 O\n0.004797 0.724176 0.965986 O\n0.995203 0.275824 0.034014 O\n",
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"spacegroup": 14
},
{
"id": "mp-758572",
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"structure_string": "Li8 Fe8 Si8 O32\n1.0\n5.222914 0.000000 0.000000\n0.000000 10.574149 0.000000\n0.000000 0.000000 12.963027\nLi Fe Si O\n8 8 8 32\ndirect\n0.076972 0.049591 0.244354 Li\n0.570745 0.209308 0.999690 Li\n0.570745 0.290692 0.499690 Li\n0.076972 0.450409 0.744354 Li\n0.923028 0.549591 0.244354 Li\n0.429255 0.709308 0.999690 Li\n0.429255 0.790692 0.499690 Li\n0.923028 0.950409 0.744354 Li\n0.415939 0.042517 0.626105 Fe\n0.057383 0.212430 0.872800 Fe\n0.057383 0.287570 0.372800 Fe\n0.415939 0.457483 0.126105 Fe\n0.584061 0.542517 0.626105 Fe\n0.942617 0.712430 0.872800 Fe\n0.942617 0.787570 0.372800 Fe\n0.584061 0.957483 0.126105 Fe\n0.903466 0.035270 0.495823 Si\n0.560657 0.206406 0.250669 Si\n0.560657 0.293594 0.750669 Si\n0.903466 0.464730 0.995823 Si\n0.096534 0.535270 0.495823 Si\n0.439343 0.706406 0.250669 Si\n0.439343 0.793594 0.750669 Si\n0.096534 0.964730 0.995823 Si\n0.932008 0.998818 0.101689 O\n0.608739 0.983548 0.512618 O\n0.462304 0.059789 0.235470 O\n0.980210 0.037972 0.892890 O\n0.484186 0.215908 0.644509 O\n0.912242 0.190417 0.480677 O\n0.874861 0.287845 0.763167 O\n0.415828 0.236455 0.853939 O\n0.415828 0.263545 0.353939 O\n0.874861 0.212155 0.263167 O\n0.912242 0.309583 0.980677 O\n0.484186 0.284092 0.144509 O\n0.980210 0.462028 0.392890 O\n0.462304 0.440211 0.735470 O\n0.608739 0.516452 0.012618 O\n0.932008 0.501182 0.601689 O\n0.067992 0.498818 0.101689 O\n0.391261 0.483548 0.512618 O\n0.537696 0.559789 0.235470 O\n0.019790 0.537972 0.892890 O\n0.515814 0.715908 0.644509 O\n0.087758 0.690417 0.480677 O\n0.125139 0.787845 0.763167 O\n0.584172 0.736455 0.853939 O\n0.584172 0.763545 0.353939 O\n0.125139 0.712155 0.263167 O\n0.087758 0.809583 0.980677 O\n0.515814 0.784092 0.144509 O\n0.019790 0.962028 0.392890 O\n0.537696 0.940211 0.735470 O\n0.391261 0.016452 0.012618 O\n0.067992 0.001182 0.601689 O\n",
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"formula_full": "Li8 Fe8 Si8 O32",
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},
{
"id": "mp-1204134",
"created_at": "2022-09-04T14:41:54.772436Z",
"structure_string": "Ba36 In16 S40 F40\n1.0\n-12.677248 0.000000 0.000000\n0.000000 0.000000 -12.684179\n0.000000 -19.566124 0.000000\nBa In S F\n36 16 40 40\ndirect\n0.130782 0.756573 0.424239 Ba\n0.630782 0.743427 0.075761 Ba\n0.869218 0.243427 0.924239 Ba\n0.369218 0.256573 0.575761 Ba\n0.869218 0.243427 0.575761 Ba\n0.369218 0.256573 0.924239 Ba\n0.130782 0.756573 0.075761 Ba\n0.630782 0.743427 0.424239 Ba\n0.378417 0.502958 0.422934 Ba\n0.878417 0.997042 0.077066 Ba\n0.621583 0.497042 0.922934 Ba\n0.121583 0.002958 0.577066 Ba\n0.621583 0.497042 0.577066 Ba\n0.121583 0.002958 0.922934 Ba\n0.378417 0.502958 0.077066 Ba\n0.878417 0.997042 0.422934 Ba\n0.381055 0.749814 0.575722 Ba\n0.881055 0.750186 0.924278 Ba\n0.618945 0.250186 0.075722 Ba\n0.118945 0.249814 0.424278 Ba\n0.618945 0.250186 0.424278 Ba\n0.118945 0.249814 0.075722 Ba\n0.381055 0.749814 0.924278 Ba\n0.881055 0.750186 0.575722 Ba\n0.871458 0.493751 0.424151 Ba\n0.371458 0.006249 0.075849 Ba\n0.128542 0.506249 0.924151 Ba\n0.628542 0.993751 0.575849 Ba\n0.128542 0.506249 0.575849 Ba\n0.628542 0.993751 0.924151 Ba\n0.871458 0.493751 0.075849 Ba\n0.371458 0.006249 0.424151 Ba\n0.623949 0.497295 0.250000 Ba\n0.123949 0.002705 0.250000 Ba\n0.376051 0.502705 0.750000 Ba\n0.876051 0.997295 0.750000 Ba\n0.325234 0.698008 0.250000 In\n0.825234 0.801992 0.250000 In\n0.674766 0.301992 0.750000 In\n0.174766 0.198008 0.750000 In\n0.419158 0.205737 0.250000 In\n0.919158 0.294263 0.250000 In\n0.580842 0.794263 0.750000 In\n0.080842 0.705737 0.750000 In\n0.204184 0.418052 0.250000 In\n0.704184 0.081948 0.250000 In\n0.795816 0.581948 0.750000 In\n0.295816 0.918052 0.750000 In\n0.020308 0.603908 0.250000 In\n0.520308 0.896092 0.250000 In\n0.979692 0.396091 0.750000 In\n0.479692 0.103909 0.750000 In\n0.138197 0.759862 0.250000 S\n0.638197 0.740138 0.250000 S\n0.861803 0.240138 0.750000 S\n0.361803 0.259862 0.750000 S\n0.393954 0.766811 0.357591 S\n0.893954 0.733189 0.142409 S\n0.606046 0.233189 0.857591 S\n0.106046 0.266811 0.642409 S\n0.606046 0.233189 0.642409 S\n0.106046 0.266811 0.857591 S\n0.393954 0.766811 0.142409 S\n0.893954 0.733189 0.357591 S\n0.119696 0.506952 0.352444 S\n0.619696 0.993048 0.147556 S\n0.880304 0.493048 0.852444 S\n0.380304 0.006952 0.647556 S\n0.880304 0.493048 0.647556 S\n0.380304 0.006952 0.852444 S\n0.119696 0.506952 0.147556 S\n0.619696 0.993048 0.352444 S\n0.362752 0.261312 0.363162 S\n0.862752 0.238688 0.136838 S\n0.637248 0.738688 0.863162 S\n0.137248 0.761312 0.636838 S\n0.637248 0.738688 0.636838 S\n0.137248 0.761312 0.863162 S\n0.362752 0.261312 0.136838 S\n0.862752 0.238688 0.363162 S\n0.365129 0.013841 0.250000 S\n0.865129 0.486159 0.250000 S\n0.634871 0.986159 0.750000 S\n0.134871 0.513841 0.750000 S\n0.377961 0.506714 0.250000 S\n0.877961 0.993286 0.250000 S\n0.622039 0.493287 0.750000 S\n0.122039 0.006713 0.750000 S\n0.114270 0.246342 0.250000 S\n0.614270 0.253658 0.250000 S\n0.885730 0.753658 0.750000 S\n0.385730 0.746342 0.750000 S\n0.623548 0.499717 0.380685 F\n0.123548 0.000283 0.119315 F\n0.376452 0.500283 0.880685 F\n0.876452 0.999717 0.619315 F\n0.376452 0.500283 0.619315 F\n0.876452 0.999717 0.880685 F\n0.623548 0.499717 0.119315 F\n0.123548 0.000283 0.380685 F\n0.997147 0.375731 0.501615 F\n0.497147 0.124269 0.998385 F\n0.002853 0.624269 0.001615 F\n0.502853 0.875731 0.498385 F\n0.002853 0.624269 0.498385 F\n0.502853 0.875731 0.001615 F\n0.997147 0.375731 0.998385 F\n0.497147 0.124269 0.501615 F\n0.003010 0.876520 0.499530 F\n0.503010 0.623480 0.000470 F\n0.996990 0.123480 0.999530 F\n0.496990 0.376520 0.500470 F\n0.996990 0.123480 0.500470 F\n0.496990 0.376520 0.999530 F\n0.003010 0.876520 0.000470 F\n0.503010 0.623480 0.499530 F\n0.753472 0.619477 0.502001 F\n0.253472 0.880523 0.997999 F\n0.246528 0.380523 0.002001 F\n0.746528 0.119477 0.497999 F\n0.246528 0.380523 0.497999 F\n0.746528 0.119477 0.002001 F\n0.753472 0.619477 0.997999 F\n0.253472 0.880523 0.502001 F\n0.254554 0.628683 0.497482 F\n0.754554 0.871317 0.002518 F\n0.745446 0.371317 0.997482 F\n0.245446 0.128683 0.502518 F\n0.745446 0.371317 0.502518 F\n0.245446 0.128683 0.997482 F\n0.254554 0.628683 0.002518 F\n0.754554 0.871317 0.497482 F\n",
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"formula_full": "Ba36 In16 S40 F40",
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},
{
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{
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{
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}