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{
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{
"id": "mp-720379",
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"structure_string": "K6 Na2 P8 H8 O28\n1.0\n3.678874 8.687426 0.000000\n-3.678874 8.687426 0.000000\n0.000000 1.947068 11.185734\nK Na P H O\n6 2 8 8 28\ndirect\n0.447762 0.832170 0.511569 K\n0.167830 0.552238 0.988431 K\n0.552238 0.167830 0.488431 K\n0.832170 0.447762 0.011569 K\n0.862368 0.137632 0.750000 K\n0.137632 0.862368 0.250000 K\n0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.000000 Na\n0.174875 0.219633 0.244333 P\n0.780367 0.825125 0.255667 P\n0.825125 0.780367 0.755667 P\n0.219633 0.174875 0.744333 P\n0.818230 0.322363 0.396873 P\n0.677637 0.181770 0.103127 P\n0.181770 0.677637 0.603127 P\n0.322363 0.818230 0.896873 P\n0.123338 0.476689 0.268280 H\n0.523311 0.876662 0.231720 H\n0.876662 0.523311 0.731720 H\n0.476689 0.123338 0.768280 H\n0.609507 0.512359 0.258661 H\n0.487641 0.390493 0.241339 H\n0.390493 0.487641 0.741339 H\n0.512359 0.609507 0.758661 H\n0.185953 0.259584 0.111196 O\n0.740416 0.814047 0.388804 O\n0.814047 0.740416 0.888804 O\n0.259584 0.185953 0.611196 O\n0.196929 0.338588 0.313088 O\n0.661412 0.803071 0.186912 O\n0.803071 0.661412 0.686912 O\n0.338588 0.196929 0.813088 O\n0.315227 0.005573 0.294260 O\n0.994427 0.684773 0.205740 O\n0.684773 0.994427 0.705740 O\n0.005573 0.315227 0.794260 O\n0.949929 0.318140 0.280499 O\n0.681860 0.050071 0.219501 O\n0.050071 0.681860 0.719501 O\n0.318140 0.949929 0.780499 O\n0.827315 0.389727 0.504060 O\n0.610273 0.172685 0.995940 O\n0.172685 0.610273 0.495940 O\n0.389727 0.827315 0.004060 O\n0.598431 0.510589 0.345413 O\n0.489411 0.401569 0.154587 O\n0.401569 0.489411 0.654587 O\n0.510589 0.598431 0.845413 O\n0.855447 0.139447 0.402567 O\n0.860553 0.144553 0.097433 O\n0.144553 0.860553 0.597433 O\n0.139447 0.855447 0.902567 O\n",
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{
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"structure_string": "P4 Cl20\n1.0\n9.751023 0.000000 0.000000\n0.000000 9.751023 0.000000\n0.000000 0.000000 7.597634\nP Cl\n4 20\ndirect\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.000000 P\n0.000000 0.500000 0.620971 P\n0.500000 0.000000 0.379029 P\n0.343084 0.546842 0.149358 Cl\n0.046842 0.156916 0.149358 Cl\n0.953158 0.843084 0.149358 Cl\n0.656916 0.453158 0.149358 Cl\n0.156916 0.953158 0.850642 Cl\n0.453158 0.343084 0.850642 Cl\n0.546842 0.656916 0.850642 Cl\n0.843084 0.046842 0.850642 Cl\n0.000000 0.500000 0.904986 Cl\n0.500000 0.000000 0.095014 Cl\n0.000000 0.500000 0.331638 Cl\n0.500000 0.000000 0.668362 Cl\n0.204147 0.588242 0.617830 Cl\n0.088242 0.295853 0.617830 Cl\n0.911758 0.704147 0.617830 Cl\n0.795853 0.411758 0.617830 Cl\n0.295853 0.911758 0.382170 Cl\n0.411758 0.204147 0.382170 Cl\n0.588242 0.795853 0.382170 Cl\n0.704147 0.088242 0.382170 Cl\n",
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{
"id": "mp-1214729",
"created_at": "2022-09-04T14:46:53.660039Z",
"structure_string": "Ba4 H8 S16 O24\n1.0\n9.784105 0.000000 0.000000\n0.000000 5.791780 0.000000\n0.000000 1.757136 18.358431\nBa H S O\n4 8 16 24\ndirect\n0.409303 0.743003 0.139244 Ba\n0.590697 0.256997 0.860756 Ba\n0.909303 0.256997 0.360756 Ba\n0.090697 0.743003 0.639244 Ba\n0.627481 0.482775 0.339623 H\n0.372519 0.517225 0.660377 H\n0.127481 0.517225 0.160377 H\n0.872519 0.482775 0.839623 H\n0.555715 0.249340 0.128677 H\n0.444285 0.750660 0.871323 H\n0.055715 0.750660 0.371323 H\n0.944285 0.249340 0.628677 H\n0.898788 0.682669 0.053863 S\n0.101212 0.317331 0.946137 S\n0.398788 0.317331 0.446137 S\n0.601212 0.682669 0.553863 S\n0.799305 0.801533 0.218703 S\n0.200695 0.198467 0.781297 S\n0.299305 0.198467 0.281297 S\n0.700695 0.801533 0.718703 S\n0.898466 0.940203 0.118943 S\n0.101534 0.059797 0.881057 S\n0.398466 0.059797 0.381057 S\n0.601534 0.940203 0.618943 S\n0.790626 0.723189 0.491610 S\n0.209374 0.276811 0.508390 S\n0.290626 0.276811 0.008390 S\n0.709374 0.723189 0.991610 S\n0.765041 0.880771 0.425501 O\n0.234959 0.119229 0.574499 O\n0.265041 0.119229 0.074499 O\n0.734959 0.880771 0.925501 O\n0.799937 0.014291 0.256372 O\n0.200063 0.985709 0.743628 O\n0.299937 0.985709 0.243628 O\n0.700063 0.014291 0.756372 O\n0.885492 0.615264 0.253909 O\n0.114508 0.384736 0.746091 O\n0.385492 0.384736 0.246091 O\n0.614508 0.615264 0.753909 O\n0.815383 0.482596 0.475671 O\n0.184617 0.517404 0.524329 O\n0.315383 0.517404 0.024329 O\n0.684617 0.482596 0.975671 O\n0.662490 0.720218 0.201001 O\n0.337510 0.279782 0.798999 O\n0.162490 0.279782 0.298999 O\n0.837510 0.720218 0.701001 O\n0.607620 0.816180 0.039394 O\n0.392380 0.183820 0.960606 O\n0.107620 0.183820 0.460606 O\n0.892380 0.816180 0.539394 O\n",
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{
"id": "mp-570921",
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"structure_string": "Cs2 Lu2 Nb12 Cl36\n1.0\n4.703154 -8.146102 0.000000\n4.703154 8.146102 0.000000\n0.000000 0.000000 17.506664\nCs Lu Nb Cl\n2 2 12 36\ndirect\n0.666667 0.333333 0.750000 Cs\n0.333333 0.666667 0.250000 Cs\n0.333333 0.666667 0.750000 Lu\n0.666667 0.333333 0.250000 Lu\n0.155240 0.197245 0.931774 Nb\n0.844760 0.802755 0.068226 Nb\n0.042005 0.197245 0.568226 Nb\n0.197245 0.042005 0.068226 Nb\n0.802755 0.957995 0.931774 Nb\n0.802755 0.844760 0.568226 Nb\n0.957995 0.802755 0.431774 Nb\n0.042005 0.844760 0.931774 Nb\n0.844760 0.042005 0.431774 Nb\n0.155240 0.957995 0.568226 Nb\n0.197245 0.155240 0.431774 Nb\n0.957995 0.155240 0.068226 Nb\n0.451728 0.093890 0.163274 Cl\n0.138263 0.416267 0.001527 Cl\n0.451728 0.357838 0.336726 Cl\n0.583733 0.861737 0.498473 Cl\n0.814881 0.765928 0.839975 Cl\n0.416267 0.138263 0.501527 Cl\n0.234072 0.048953 0.839975 Cl\n0.861737 0.278004 0.501527 Cl\n0.357838 0.906110 0.663274 Cl\n0.416267 0.278004 0.998473 Cl\n0.234072 0.185119 0.660025 Cl\n0.093890 0.642162 0.836726 Cl\n0.906110 0.357838 0.163274 Cl\n0.642162 0.548272 0.163274 Cl\n0.861737 0.583733 0.998473 Cl\n0.548272 0.906110 0.836726 Cl\n0.721996 0.583733 0.501527 Cl\n0.814881 0.048953 0.660025 Cl\n0.906110 0.548272 0.336726 Cl\n0.951047 0.765928 0.660025 Cl\n0.185119 0.234072 0.160025 Cl\n0.951047 0.185119 0.839975 Cl\n0.048953 0.814881 0.160025 Cl\n0.093890 0.451728 0.663274 Cl\n0.548272 0.642162 0.663274 Cl\n0.278004 0.416267 0.498473 Cl\n0.765928 0.951047 0.160025 Cl\n0.765928 0.814881 0.339975 Cl\n0.583733 0.721996 0.001527 Cl\n0.138263 0.721996 0.498473 Cl\n0.721996 0.138263 0.998473 Cl\n0.357838 0.451728 0.836726 Cl\n0.048953 0.234072 0.339975 Cl\n0.278004 0.861737 0.001527 Cl\n0.642162 0.093890 0.336726 Cl\n0.185119 0.951047 0.339975 Cl\n",
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{
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"structure_string": "K1 Li1 Mg30 O31\n1.0\n8.635808 0.000000 0.000000\n0.000000 8.635808 0.000000\n0.000000 0.000000 8.466740\nK Li Mg O\n1 1 30 31\ndirect\n0.000000 0.000000 0.055752 K\n0.500000 0.500000 0.996335 Li\n0.500000 0.000000 0.992318 Mg\n0.000000 0.500000 0.992318 Mg\n0.000000 0.000000 0.520321 Mg\n0.500000 0.000000 0.503654 Mg\n0.000000 0.500000 0.503654 Mg\n0.500000 0.500000 0.500298 Mg\n0.255118 0.255118 0.997334 Mg\n0.744882 0.255118 0.997334 Mg\n0.255118 0.744882 0.997334 Mg\n0.744882 0.744882 0.997334 Mg\n0.249334 0.249334 0.499391 Mg\n0.750666 0.249334 0.499391 Mg\n0.249334 0.750666 0.499391 Mg\n0.750666 0.750666 0.499391 Mg\n0.277853 0.000000 0.247338 Mg\n0.722147 0.000000 0.247338 Mg\n0.256680 0.500000 0.244927 Mg\n0.743320 0.500000 0.244927 Mg\n0.248681 0.000000 0.757006 Mg\n0.751319 0.000000 0.757006 Mg\n0.254154 0.500000 0.752075 Mg\n0.745846 0.500000 0.752075 Mg\n0.000000 0.277853 0.247338 Mg\n0.500000 0.256680 0.244927 Mg\n0.000000 0.722147 0.247338 Mg\n0.500000 0.743320 0.244927 Mg\n0.000000 0.248681 0.757006 Mg\n0.500000 0.254154 0.752075 Mg\n0.000000 0.751319 0.757006 Mg\n0.500000 0.745846 0.752075 Mg\n0.500000 0.000000 0.257088 O\n0.000000 0.500000 0.257088 O\n0.500000 0.500000 0.256648 O\n0.000000 0.000000 0.750308 O\n0.500000 0.000000 0.743072 O\n0.000000 0.500000 0.743072 O\n0.500000 0.500000 0.741248 O\n0.242565 0.242565 0.248084 O\n0.757435 0.242565 0.248084 O\n0.242565 0.757435 0.248084 O\n0.757435 0.757435 0.248084 O\n0.249044 0.249044 0.747721 O\n0.750956 0.249044 0.747721 O\n0.249044 0.750956 0.747721 O\n0.750956 0.750956 0.747721 O\n0.270264 0.000000 0.001986 O\n0.729736 0.000000 0.001986 O\n0.246691 0.500000 0.000568 O\n0.753309 0.500000 0.000568 O\n0.242345 0.000000 0.491598 O\n0.757655 0.000000 0.491598 O\n0.247996 0.500000 0.496178 O\n0.752004 0.500000 0.496178 O\n0.000000 0.270264 0.001986 O\n0.500000 0.246691 0.000568 O\n0.000000 0.729736 0.001986 O\n0.500000 0.753309 0.000568 O\n0.000000 0.242345 0.491598 O\n0.500000 0.247996 0.496178 O\n0.000000 0.757655 0.491598 O\n0.500000 0.752004 0.496178 O\n",
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{
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"structure_string": "Sr1 Ca1 I4\n1.0\n5.398288 -5.400188 0.000000\n5.398288 5.400188 0.000000\n0.000000 0.000000 4.787731\nSr Ca I\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ca\n0.207301 0.207301 0.500000 I\n0.692242 0.307758 0.000000 I\n0.307758 0.692242 0.000000 I\n0.792699 0.792699 0.500000 I\n",
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{
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