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{
"id": "mp-1019806",
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"structure_string": "K2 Mg12 P14 O48\n1.0\n26.693900 0.000000 0.000000\n0.000000 5.326632 0.000000\n0.000000 1.924930 6.157583\nK Mg P O\n2 12 14 48\ndirect\n0.750000 0.739422 0.375309 K\n0.250000 0.260578 0.624691 K\n0.596208 0.804750 0.092972 Mg\n0.096208 0.195250 0.907028 Mg\n0.403792 0.195250 0.907028 Mg\n0.903792 0.804750 0.092972 Mg\n0.549058 0.205379 0.311701 Mg\n0.049058 0.794621 0.688299 Mg\n0.450942 0.794621 0.688299 Mg\n0.950942 0.205379 0.311701 Mg\n0.682763 0.136586 0.733220 Mg\n0.182763 0.863414 0.266780 Mg\n0.317237 0.863414 0.266780 Mg\n0.817237 0.136586 0.733220 Mg\n0.609467 0.697943 0.627542 P\n0.109467 0.302057 0.372458 P\n0.390533 0.302057 0.372458 P\n0.890533 0.697943 0.627542 P\n0.524871 0.298399 0.796564 P\n0.024871 0.701601 0.203436 P\n0.475129 0.701601 0.203436 P\n0.975129 0.298399 0.796564 P\n0.667355 0.264942 0.201511 P\n0.167355 0.735058 0.798489 P\n0.332645 0.735058 0.798489 P\n0.832645 0.264942 0.201511 P\n0.750000 0.556974 0.909939 P\n0.250000 0.443026 0.090061 P\n0.665952 0.074279 0.063742 O\n0.165952 0.925721 0.936258 O\n0.334048 0.925721 0.936258 O\n0.834048 0.074279 0.063742 O\n0.647957 0.490350 0.630492 O\n0.147957 0.509650 0.369508 O\n0.352043 0.509650 0.369508 O\n0.852043 0.490350 0.630492 O\n0.595200 0.871176 0.397603 O\n0.095200 0.128824 0.602397 O\n0.404800 0.128824 0.602397 O\n0.904800 0.871176 0.397603 O\n0.472827 0.407262 0.825067 O\n0.972827 0.592738 0.174933 O\n0.527173 0.592738 0.174933 O\n0.027173 0.407262 0.825067 O\n0.618187 0.410492 0.207728 O\n0.118187 0.589508 0.792272 O\n0.381813 0.589508 0.792272 O\n0.881813 0.410492 0.207728 O\n0.693236 0.151075 0.417632 O\n0.193236 0.848925 0.582368 O\n0.306764 0.848925 0.582368 O\n0.806764 0.151075 0.417632 O\n0.750000 0.358362 0.782482 O\n0.250000 0.641638 0.217518 O\n0.556987 0.566332 0.725780 O\n0.056987 0.433668 0.274220 O\n0.443013 0.433668 0.274220 O\n0.943013 0.566332 0.725780 O\n0.703237 0.514188 0.067591 O\n0.203237 0.485812 0.932409 O\n0.296763 0.485812 0.932409 O\n0.796763 0.514188 0.067591 O\n0.525946 0.161906 0.620011 O\n0.025946 0.838094 0.379989 O\n0.474054 0.838094 0.379989 O\n0.974054 0.161906 0.620011 O\n0.547861 0.129987 0.012315 O\n0.047861 0.870013 0.987685 O\n0.452139 0.870013 0.987685 O\n0.952139 0.129987 0.012315 O\n0.750000 0.847349 0.786076 O\n0.250000 0.152651 0.213924 O\n0.623545 0.865822 0.777182 O\n0.123545 0.134178 0.222818 O\n0.376455 0.134178 0.222818 O\n0.876455 0.865822 0.777182 O\n",
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],
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"formula_full": "K2 Mg12 P14 O48",
"formula_reduced": "KMg6P7O24",
"formula_anonymous": "AB6C7D24",
"energy": -559.02695927,
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"updated_at": "2021-11-28T01:35:07.101000Z",
"spacegroup": 11
},
{
"id": "mp-707942",
"created_at": "2022-09-04T14:45:09.096133Z",
"structure_string": "B20 H8 Pb8 O44\n1.0\n11.518130 0.000000 0.000000\n0.000000 6.700271 0.000000\n0.000000 6.502244 11.344570\nB H Pb O\n20 8 8 44\ndirect\n0.221557 0.220441 0.460444 B\n0.721557 0.779559 0.039556 B\n0.778443 0.779559 0.539556 B\n0.278443 0.220441 0.960444 B\n0.009476 0.737416 0.758800 B\n0.509476 0.262584 0.741200 B\n0.990524 0.262584 0.241200 B\n0.490524 0.737416 0.258800 B\n0.808951 0.483928 0.227113 B\n0.308951 0.516072 0.272887 B\n0.191049 0.516072 0.772887 B\n0.691049 0.483928 0.727113 B\n0.785664 0.841703 0.712801 B\n0.285664 0.158297 0.787199 B\n0.214336 0.158297 0.287199 B\n0.714336 0.841703 0.212801 B\n0.201407 0.946504 0.682890 B\n0.701407 0.053496 0.817110 B\n0.798593 0.053496 0.317110 B\n0.298593 0.946504 0.182889 B\n0.933710 0.194925 0.499285 H\n0.433710 0.805075 0.000715 H\n0.066290 0.805075 0.500715 H\n0.566290 0.194925 0.999285 H\n0.470195 0.204371 0.488330 H\n0.970195 0.795629 0.011670 H\n0.529805 0.795629 0.511670 H\n0.029805 0.204371 0.988330 H\n0.283879 0.657164 0.517711 Pb\n0.783879 0.342836 0.982289 Pb\n0.716121 0.342836 0.482289 Pb\n0.216121 0.657164 0.017711 Pb\n0.478417 0.705169 0.813431 Pb\n0.978417 0.294831 0.686569 Pb\n0.521583 0.294831 0.186569 Pb\n0.021583 0.705169 0.313431 Pb\n0.766097 0.261692 0.322143 O\n0.266097 0.738308 0.177857 O\n0.233903 0.738308 0.677857 O\n0.733903 0.261692 0.822143 O\n0.305567 0.336905 0.238562 O\n0.805567 0.663095 0.261438 O\n0.694433 0.663095 0.761438 O\n0.194433 0.336905 0.738562 O\n0.226656 0.159339 0.575284 O\n0.726656 0.840661 0.924716 O\n0.773344 0.840661 0.424716 O\n0.273344 0.159339 0.075284 O\n0.260395 0.950331 0.781745 O\n0.760395 0.049669 0.718255 O\n0.739605 0.049669 0.218255 O\n0.239605 0.950331 0.281745 O\n0.932027 0.468769 0.197279 O\n0.432027 0.531231 0.302721 O\n0.067973 0.531231 0.802721 O\n0.567973 0.468769 0.697279 O\n0.068987 0.943417 0.699137 O\n0.568987 0.056583 0.800863 O\n0.931013 0.056583 0.300863 O\n0.431013 0.943417 0.199137 O\n0.738095 0.548112 0.119295 O\n0.238095 0.451888 0.380705 O\n0.261905 0.451888 0.880705 O\n0.761905 0.548112 0.619295 O\n0.798262 0.929253 0.581390 O\n0.298262 0.070747 0.918610 O\n0.201738 0.070747 0.418610 O\n0.701738 0.929253 0.081390 O\n0.427522 0.652051 0.009071 O\n0.927522 0.347949 0.490929 O\n0.572478 0.347949 0.990929 O\n0.072478 0.652051 0.509071 O\n0.892911 0.723846 0.776913 O\n0.392911 0.276154 0.723087 O\n0.107089 0.276154 0.223087 O\n0.607089 0.723846 0.276913 O\n0.528441 0.097720 0.543839 O\n0.028441 0.902280 0.956161 O\n0.471559 0.902280 0.456161 O\n0.971559 0.097720 0.043839 O\n",
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{
"id": "mp-1209765",
"created_at": "2022-09-04T14:48:22.888459Z",
"structure_string": "Rh4 N24 O24\n1.0\n11.359601 0.000000 0.000000\n0.000000 6.668959 0.000000\n0.000000 5.239137 11.556449\nRh N O\n4 24 24\ndirect\n0.835737 0.773818 0.762438 Rh\n0.164263 0.226182 0.237562 Rh\n0.335737 0.226182 0.737562 Rh\n0.664263 0.773818 0.262438 Rh\n0.452279 0.574997 0.604216 N\n0.547721 0.425003 0.395784 N\n0.952279 0.425003 0.895784 N\n0.047721 0.574997 0.104216 N\n0.212059 0.395620 0.684511 N\n0.787941 0.604380 0.315489 N\n0.712059 0.604380 0.815489 N\n0.287941 0.395620 0.184511 N\n0.884330 0.864875 0.868677 N\n0.115670 0.135125 0.131323 N\n0.384330 0.135125 0.631323 N\n0.615670 0.864875 0.368677 N\n0.047293 0.872715 0.686297 N\n0.952707 0.127285 0.313703 N\n0.547293 0.127285 0.813703 N\n0.452707 0.872715 0.186297 N\n0.357948 0.443710 0.864942 N\n0.642052 0.556290 0.135058 N\n0.857948 0.556290 0.635058 N\n0.142052 0.443710 0.364942 N\n0.310218 0.003636 0.869343 N\n0.689782 0.996364 0.130657 N\n0.810218 0.996364 0.630657 N\n0.189782 0.003636 0.369343 N\n0.096898 0.970540 0.735828 O\n0.903102 0.029460 0.264172 O\n0.596898 0.029460 0.764172 O\n0.403102 0.970540 0.235828 O\n0.080357 0.817845 0.611491 O\n0.919643 0.182155 0.388509 O\n0.580357 0.182155 0.888509 O\n0.419643 0.817845 0.111491 O\n0.835776 0.663847 0.533956 O\n0.164224 0.336153 0.466044 O\n0.335776 0.336153 0.966044 O\n0.664224 0.663847 0.033956 O\n0.054083 0.414823 0.869395 O\n0.945917 0.585177 0.130605 O\n0.554083 0.585177 0.630605 O\n0.445917 0.414823 0.369395 O\n0.386347 0.635322 0.813075 O\n0.613653 0.364678 0.186925 O\n0.886347 0.364678 0.686925 O\n0.113653 0.635322 0.313075 O\n0.393827 0.697543 0.523328 O\n0.606173 0.302457 0.476672 O\n0.893827 0.302457 0.976672 O\n0.106173 0.697543 0.023328 O\n",
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{
"id": "mp-1197500",
"created_at": "2022-09-04T14:48:06.174957Z",
"structure_string": "Ba6 Li4 B20 H12 O44\n1.0\n3.709794 5.759239 0.000000\n-3.709794 5.759239 0.000000\n0.000000 5.138305 20.486837\nBa Li B H O\n6 4 20 12 44\ndirect\n0.862887 0.923977 0.095755 Ba\n0.076023 0.137113 0.404245 Ba\n0.137113 0.076023 0.904245 Ba\n0.923977 0.862887 0.595755 Ba\n0.747931 0.252069 0.250000 Ba\n0.252069 0.747931 0.750000 Ba\n0.272946 0.185482 0.039327 Li\n0.814518 0.727054 0.460673 Li\n0.727054 0.814518 0.960673 Li\n0.185482 0.272946 0.539327 Li\n0.386189 0.414182 0.132397 B\n0.585818 0.613811 0.367603 B\n0.613811 0.585818 0.867603 B\n0.414182 0.386189 0.632397 B\n0.179062 0.402202 0.246931 B\n0.597798 0.820938 0.253069 B\n0.820938 0.597798 0.753069 B\n0.402202 0.179062 0.746931 B\n0.753661 0.459225 0.089974 B\n0.540775 0.246339 0.410026 B\n0.246339 0.540775 0.910026 B\n0.459225 0.753661 0.589974 B\n0.401558 0.733001 0.049795 B\n0.266999 0.598442 0.450205 B\n0.598442 0.266999 0.950205 B\n0.733001 0.401558 0.549795 B\n0.291794 0.087530 0.184085 B\n0.912470 0.708206 0.315915 B\n0.708206 0.912470 0.815915 B\n0.087530 0.291794 0.684085 B\n0.868936 0.377470 0.000711 H\n0.622530 0.131064 0.499289 H\n0.131064 0.622530 0.999289 H\n0.377470 0.868936 0.500711 H\n0.023692 0.412964 0.129168 H\n0.587036 0.976308 0.370832 H\n0.976308 0.587036 0.870832 H\n0.412964 0.023692 0.629168 H\n0.221761 0.822203 0.186697 H\n0.177797 0.778239 0.313303 H\n0.778239 0.177797 0.813303 H\n0.822203 0.221761 0.686697 H\n0.623117 0.335342 0.126256 O\n0.664658 0.376883 0.373744 O\n0.376883 0.664658 0.873744 O\n0.335342 0.623117 0.626256 O\n0.308565 0.246934 0.126837 O\n0.753066 0.691435 0.373163 O\n0.691435 0.753066 0.873163 O\n0.246934 0.308565 0.626837 O\n0.622989 0.666984 0.053887 O\n0.333016 0.377011 0.446113 O\n0.377011 0.333016 0.946113 O\n0.666984 0.622989 0.553887 O\n0.174996 0.204647 0.242667 O\n0.795353 0.825004 0.257333 O\n0.825004 0.795353 0.757333 O\n0.204647 0.174996 0.742667 O\n0.295021 0.597953 0.082256 O\n0.402047 0.704979 0.417744 O\n0.704979 0.402047 0.917744 O\n0.597953 0.295021 0.582256 O\n0.928128 0.327009 0.042063 O\n0.672991 0.071872 0.457937 O\n0.071872 0.672991 0.957937 O\n0.327009 0.928128 0.542063 O\n0.865091 0.499743 0.136582 O\n0.500257 0.134909 0.363418 O\n0.134909 0.500257 0.863418 O\n0.499743 0.865091 0.636582 O\n0.063387 0.488214 0.302932 O\n0.511786 0.936613 0.197068 O\n0.936613 0.511786 0.697068 O\n0.488214 0.063387 0.802932 O\n0.160090 0.977967 0.171508 O\n0.022033 0.839910 0.328492 O\n0.839910 0.022033 0.828492 O\n0.977967 0.160090 0.671508 O\n0.292335 0.920600 0.014744 O\n0.079400 0.707665 0.485256 O\n0.707665 0.079400 0.985256 O\n0.920600 0.292335 0.514744 O\n0.295931 0.495130 0.199401 O\n0.504870 0.704069 0.300599 O\n0.704069 0.504870 0.800599 O\n0.495130 0.295931 0.699401 O\n",
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"formula_full": "Ba6 Li4 B20 H12 O44",
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{
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"formula_full": "Rb8 Sn2 Te8 O4",
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},
{
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"structure_string": "Na4 Mg12 Si16 O44 F4\n1.0\n8.067298 0.000000 0.000000\n1.834891 10.135594 0.000000\n2.260266 0.997634 10.704866\nNa Mg Si O F\n4 12 16 44 4\ndirect\n0.755180 0.277302 0.228810 Na\n0.496518 0.221152 0.544493 Na\n0.244820 0.722698 0.771190 Na\n0.503482 0.778848 0.455507 Na\n0.878524 0.737274 0.704854 Mg\n0.099252 0.759662 0.039287 Mg\n0.446746 0.848343 0.137811 Mg\n0.121476 0.262726 0.295146 Mg\n0.816652 0.004530 0.478048 Mg\n0.183348 0.995470 0.521952 Mg\n0.553254 0.151657 0.862189 Mg\n0.900748 0.240338 0.960713 Mg\n0.895700 0.276679 0.675591 Mg\n0.425817 0.308576 0.071438 Mg\n0.574183 0.691424 0.928562 Mg\n0.104300 0.723321 0.324409 Mg\n0.193633 0.087764 0.035007 Si\n0.521217 0.936967 0.697004 Si\n0.865279 0.010651 0.710856 Si\n0.223650 0.095788 0.742506 Si\n0.776350 0.904212 0.257494 Si\n0.134721 0.989349 0.289144 Si\n0.740776 0.523555 0.562917 Si\n0.478783 0.063033 0.302996 Si\n0.029062 0.480664 0.114830 Si\n0.806367 0.912236 0.964993 Si\n0.477294 0.565914 0.187683 Si\n0.792994 0.598016 0.288248 Si\n0.207006 0.401984 0.711752 Si\n0.522706 0.434086 0.812317 Si\n0.970938 0.519336 0.885170 Si\n0.259224 0.476445 0.437083 Si\n0.759098 0.656434 0.608619 O\n0.138167 0.090661 0.895393 O\n0.212588 0.931443 0.106131 O\n0.984727 0.837800 0.886112 O\n0.861833 0.909339 0.104607 O\n0.003238 0.631519 0.192220 O\n0.381741 0.087036 0.441554 O\n0.643792 0.634576 0.198573 O\n0.369793 0.148965 0.002928 O\n0.022031 0.097989 0.393959 O\n0.241766 0.860466 0.365287 O\n0.300553 0.949900 0.673062 O\n0.699447 0.050100 0.326938 O\n0.758234 0.139534 0.634713 O\n0.977969 0.902011 0.606041 O\n0.630207 0.851035 0.997072 O\n0.288139 0.087514 0.238606 O\n0.356208 0.365424 0.801427 O\n0.779805 0.750342 0.336890 O\n0.655978 0.416543 0.673373 O\n0.618259 0.912964 0.558446 O\n0.996762 0.368481 0.807780 O\n0.015273 0.162200 0.113888 O\n0.323882 0.460834 0.569307 O\n0.220195 0.249658 0.663110 O\n0.442000 0.086361 0.748923 O\n0.805246 0.623678 0.861232 O\n0.787412 0.068557 0.893869 O\n0.029094 0.096622 0.700577 O\n0.240902 0.343566 0.391381 O\n0.108818 0.560906 0.741607 O\n0.467006 0.580400 0.846135 O\n0.617672 0.319919 0.906740 O\n0.905921 0.423765 0.025820 O\n0.094079 0.576235 0.974180 O\n0.382328 0.680081 0.093260 O\n0.532994 0.419600 0.153865 O\n0.891182 0.439094 0.258393 O\n0.970906 0.903378 0.299423 O\n0.194754 0.376322 0.138768 O\n0.558000 0.913639 0.251077 O\n0.676118 0.539166 0.430693 O\n0.344022 0.583457 0.326627 O\n0.711861 0.912486 0.761394 O\n0.450006 0.826619 0.819452 F\n0.549994 0.173381 0.180548 F\n0.921858 0.408983 0.533334 F\n0.078142 0.591017 0.466666 F\n",
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"elements": [
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"O",
"F"
],
"chemical_system": "F-Mg-Na-O-Si",
"density": 3.059937926898578,
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"volume": 875.3032496207879,
"volume_molar": 6.588999221127253,
"formula_full": "Na4 Mg12 Si16 O44 F4",
"formula_reduced": "NaMg3Si4O11F",
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"updated_at": "2021-11-28T01:36:18.713000Z",
"spacegroup": 2
},
{
"id": "mp-1214541",
"created_at": "2022-09-04T14:46:36.711673Z",
"structure_string": "Ba12 Dy4 Al8 O30\n1.0\n5.958336 0.000000 0.000000\n0.000000 7.927077 0.000000\n0.000000 0.517419 18.531779\nBa Dy Al O\n12 4 8 30\ndirect\n0.757852 0.502123 0.081798 Ba\n0.242148 0.497877 0.918202 Ba\n0.757852 0.497877 0.418202 Ba\n0.242148 0.502123 0.581798 Ba\n0.744804 0.969278 0.089309 Ba\n0.255196 0.030722 0.910691 Ba\n0.744804 0.030722 0.410691 Ba\n0.255196 0.969278 0.589309 Ba\n0.724248 0.000000 0.750000 Ba\n0.275752 0.000000 0.250000 Ba\n0.670444 0.500000 0.750000 Ba\n0.329556 0.500000 0.250000 Ba\n0.745612 0.750761 0.910361 Dy\n0.254388 0.249239 0.089639 Dy\n0.745612 0.249239 0.589639 Dy\n0.254388 0.750761 0.410361 Dy\n0.750827 0.752708 0.555846 Al\n0.249173 0.247292 0.444154 Al\n0.750827 0.247292 0.944154 Al\n0.249173 0.752708 0.055846 Al\n0.772137 0.779250 0.267621 Al\n0.227863 0.220750 0.732379 Al\n0.772137 0.220750 0.232379 Al\n0.227863 0.779250 0.767621 Al\n0.210615 0.000000 0.750000 O\n0.789385 0.000000 0.250000 O\n0.494751 0.763669 0.000011 O\n0.505249 0.236331 0.999989 O\n0.494751 0.236331 0.499989 O\n0.505249 0.763669 0.500011 O\n0.759108 0.943747 0.605815 O\n0.240892 0.056253 0.394185 O\n0.759108 0.056253 0.894185 O\n0.240892 0.943747 0.105815 O\n0.008996 0.761930 0.996470 O\n0.991004 0.238070 0.003530 O\n0.008996 0.238070 0.503530 O\n0.991004 0.761930 0.496470 O\n0.313841 0.693129 0.686743 O\n0.686159 0.306871 0.313257 O\n0.313841 0.306871 0.813257 O\n0.686159 0.693129 0.186743 O\n0.449432 0.753169 0.832790 O\n0.550568 0.246831 0.167210 O\n0.449432 0.246831 0.667210 O\n0.550568 0.753169 0.332790 O\n0.969543 0.730767 0.811403 O\n0.030457 0.269233 0.188597 O\n0.969543 0.269233 0.688597 O\n0.030457 0.730767 0.311403 O\n0.753809 0.539890 0.592071 O\n0.246191 0.460110 0.407929 O\n0.753809 0.460110 0.907929 O\n0.246191 0.539890 0.092071 O\n",
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}
]
}