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{
"id": "mp-765277",
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"structure_string": "Li12 Sn12 P12 O48\n1.0\n7.075954 0.000000 0.000000\n0.000000 9.456681 0.000000\n0.000000 9.423692 16.468756\nLi Sn P O\n12 12 12 48\ndirect\n0.483515 0.839737 0.420163 Li\n0.526861 0.170376 0.088711 Li\n0.513456 0.516377 0.732079 Li\n0.013456 0.483623 0.767921 Li\n0.026861 0.829624 0.411289 Li\n0.983515 0.160263 0.079837 Li\n0.016485 0.839737 0.920163 Li\n0.973139 0.170376 0.588711 Li\n0.986544 0.516377 0.232079 Li\n0.486544 0.483623 0.267921 Li\n0.473139 0.829624 0.911289 Li\n0.516485 0.160263 0.579837 Li\n0.747482 0.562777 0.901288 Sn\n0.761796 0.133387 0.280374 Sn\n0.758500 0.805289 0.565385 Sn\n0.258500 0.194711 0.934615 Sn\n0.261796 0.866613 0.219626 Sn\n0.247482 0.437223 0.598712 Sn\n0.752518 0.562777 0.401288 Sn\n0.738204 0.133387 0.780374 Sn\n0.741500 0.805289 0.065385 Sn\n0.241500 0.194711 0.434615 Sn\n0.238204 0.866613 0.719626 Sn\n0.252518 0.437223 0.098712 Sn\n0.237391 0.537840 0.910698 P\n0.263927 0.144153 0.269089 P\n0.253558 0.820457 0.572344 P\n0.753558 0.179543 0.927656 P\n0.763927 0.855847 0.230911 P\n0.737391 0.462160 0.589302 P\n0.262609 0.537840 0.410698 P\n0.236073 0.144153 0.769089 P\n0.246442 0.820457 0.072344 P\n0.746442 0.179543 0.427656 P\n0.736073 0.855847 0.730911 P\n0.762609 0.462160 0.089302 P\n0.073609 0.640279 0.915519 O\n0.577625 0.365292 0.101226 O\n0.092742 0.043471 0.319232 O\n0.254655 0.363892 0.991415 O\n0.758362 0.015641 0.422534 O\n0.744028 0.673887 0.752077 O\n0.253419 0.683413 0.663289 O\n0.444157 0.056425 0.317435 O\n0.084407 0.809446 0.523471 O\n0.435568 0.819287 0.527409 O\n0.263646 0.156005 0.181805 O\n0.203045 0.492538 0.843193 O\n0.703045 0.507462 0.656807 O\n0.935568 0.180713 0.972591 O\n0.763646 0.843995 0.318195 O\n0.584407 0.190554 0.976529 O\n0.944157 0.943575 0.182565 O\n0.753419 0.316587 0.836711 O\n0.244028 0.326113 0.747923 O\n0.754655 0.636108 0.508585 O\n0.258362 0.984359 0.077466 O\n0.592742 0.956529 0.180768 O\n0.077625 0.634708 0.398774 O\n0.573609 0.359721 0.584481 O\n0.426391 0.640279 0.415519 O\n0.922375 0.365292 0.601226 O\n0.407258 0.043471 0.819232 O\n0.245345 0.363892 0.491415 O\n0.741638 0.015641 0.922534 O\n0.755972 0.673887 0.252077 O\n0.246581 0.683413 0.163289 O\n0.055843 0.056425 0.817435 O\n0.415593 0.809446 0.023471 O\n0.236354 0.156005 0.681805 O\n0.064432 0.819287 0.027409 O\n0.296955 0.492538 0.343193 O\n0.796955 0.507462 0.156807 O\n0.736354 0.843995 0.818195 O\n0.564432 0.180713 0.472591 O\n0.915593 0.190554 0.476529 O\n0.555843 0.943575 0.682565 O\n0.746581 0.316587 0.336711 O\n0.255972 0.326113 0.247923 O\n0.241638 0.984359 0.577466 O\n0.745345 0.636108 0.008585 O\n0.907258 0.956529 0.680768 O\n0.422375 0.634708 0.898774 O\n0.926391 0.359721 0.084481 O\n",
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"formula_full": "Li12 Sn12 P12 O48",
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"spacegroup": 14
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{
"id": "mp-532294",
"created_at": "2022-09-04T14:40:12.408547Z",
"structure_string": "Er24 Cd12 Se48\n1.0\n4.158076 -7.202000 0.000000\n4.158076 7.202000 0.000000\n0.000000 0.000000 40.663489\nEr Cd Se\n24 12 48\ndirect\n0.333333 0.666667 0.000631 Er\n0.672369 0.836185 0.896178 Er\n0.163815 0.327631 0.896178 Er\n0.163815 0.836185 0.896178 Er\n0.004029 0.502014 0.729212 Er\n0.497986 0.995971 0.729212 Er\n0.666667 0.333333 0.834411 Er\n0.333325 0.166663 0.562533 Er\n0.497986 0.502014 0.729212 Er\n0.833337 0.666675 0.562533 Er\n0.666667 0.333333 0.646063 Er\n0.833337 0.166663 0.562533 Er\n0.666705 0.833352 0.395859 Er\n0.000000 0.000000 0.479205 Er\n0.166648 0.333295 0.395859 Er\n0.166648 0.833352 0.395859 Er\n0.000005 0.500002 0.229232 Er\n0.333333 0.666667 0.312557 Er\n0.499998 0.999995 0.229232 Er\n0.499998 0.500002 0.229232 Er\n0.334743 0.167372 0.062779 Er\n0.666667 0.333333 0.146119 Er\n0.832628 0.665257 0.062779 Er\n0.832628 0.167372 0.062779 Er\n0.666667 0.333333 0.957278 Cd\n0.000000 0.000000 0.790238 Cd\n0.000000 0.000000 0.977375 Cd\n0.333333 0.666667 0.624670 Cd\n0.333333 0.666667 0.810951 Cd\n0.333333 0.666667 0.500068 Cd\n0.666667 0.333333 0.458311 Cd\n0.000000 0.000000 0.666912 Cd\n0.000000 0.000000 0.166764 Cd\n0.000000 0.000000 0.291689 Cd\n0.333333 0.666667 0.125241 Cd\n0.666667 0.333333 0.333444 Cd\n0.842668 0.157332 0.936141 Se\n0.842668 0.685336 0.936141 Se\n0.000000 0.000000 0.857521 Se\n0.314664 0.157332 0.936141 Se\n0.021719 0.510859 0.855940 Se\n0.176223 0.823777 0.769220 Se\n0.489141 0.978281 0.855940 Se\n0.333333 0.666667 0.933736 Se\n0.176223 0.352446 0.769220 Se\n0.333333 0.666667 0.690900 Se\n0.489141 0.510859 0.855940 Se\n0.647554 0.823777 0.769220 Se\n0.510162 0.489838 0.602841 Se\n0.354185 0.177093 0.688830 Se\n0.822907 0.645815 0.688830 Se\n0.666667 0.333333 0.767168 Se\n0.510162 0.020323 0.602841 Se\n0.666667 0.333333 0.524617 Se\n0.822907 0.177093 0.688830 Se\n0.979677 0.489838 0.602841 Se\n0.687006 0.843503 0.522054 Se\n0.843453 0.156547 0.436192 Se\n0.156497 0.312994 0.522054 Se\n0.000000 0.000000 0.600402 Se\n0.843453 0.686906 0.436192 Se\n0.000000 0.000000 0.357942 Se\n0.156497 0.843503 0.522054 Se\n0.313094 0.156547 0.436192 Se\n0.020336 0.510168 0.355386 Se\n0.176791 0.823209 0.269506 Se\n0.333333 0.666667 0.433675 Se\n0.176791 0.353581 0.269506 Se\n0.489832 0.979664 0.355386 Se\n0.333333 0.666667 0.191315 Se\n0.489832 0.510168 0.355386 Se\n0.646419 0.823209 0.269506 Se\n0.353609 0.176805 0.188727 Se\n0.510052 0.489948 0.103061 Se\n0.666667 0.333333 0.267002 Se\n0.823195 0.646391 0.188727 Se\n0.510052 0.020104 0.103061 Se\n0.666667 0.333333 0.024605 Se\n0.823195 0.176805 0.188727 Se\n0.979896 0.489948 0.103061 Se\n0.687251 0.843625 0.022584 Se\n0.156375 0.312749 0.022584 Se\n0.000000 0.000000 0.100372 Se\n0.156375 0.843625 0.022584 Se\n",
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"elements": [
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],
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"density": 6.240842222116063,
"density_atomic": 0.03449046989962289,
"volume": 2435.45536620591,
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"formula_full": "Er24 Cd12 Se48",
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"updated_at": "2021-11-28T01:34:54.299000Z",
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{
"id": "mp-1205112",
"created_at": "2022-09-04T14:39:46.048711Z",
"structure_string": "Cs4 Na8 H12 S12 O48\n1.0\n10.716217 0.000000 0.000000\n0.000000 10.716217 0.000000\n0.000000 0.000000 10.716217\nCs Na H S O\n4 8 12 12 48\ndirect\n0.051997 0.948003 0.448003 Cs\n0.551997 0.551997 0.551997 Cs\n0.448003 0.051997 0.948003 Cs\n0.948003 0.448003 0.051997 Cs\n0.827647 0.827647 0.827647 Na\n0.172353 0.327647 0.672353 Na\n0.327647 0.672353 0.172353 Na\n0.672353 0.172353 0.327647 Na\n0.400661 0.900661 0.599339 Na\n0.900661 0.599339 0.400661 Na\n0.599339 0.400661 0.900661 Na\n0.099339 0.099339 0.099339 Na\n0.140968 0.827686 0.998702 H\n0.001298 0.640968 0.672314 H\n0.327686 0.501298 0.859032 H\n0.640968 0.672314 0.001298 H\n0.501298 0.859032 0.327686 H\n0.827686 0.998702 0.140968 H\n0.859032 0.327686 0.501298 H\n0.998702 0.140968 0.827686 H\n0.672314 0.001298 0.640968 H\n0.359032 0.172314 0.498702 H\n0.498702 0.359032 0.172314 H\n0.172314 0.498702 0.359032 H\n0.984546 0.786930 0.121819 S\n0.878181 0.484546 0.713070 S\n0.286930 0.378181 0.015454 S\n0.484546 0.713070 0.878181 S\n0.378181 0.015454 0.286930 S\n0.786930 0.121819 0.984546 S\n0.015454 0.286930 0.378181 S\n0.121819 0.984546 0.786930 S\n0.713070 0.878181 0.484546 S\n0.515454 0.213070 0.621819 S\n0.621819 0.515454 0.213070 S\n0.213070 0.621819 0.515454 S\n0.124696 0.768884 0.069788 O\n0.930212 0.624696 0.731116 O\n0.268884 0.430212 0.875304 O\n0.624696 0.731116 0.930212 O\n0.430212 0.875304 0.268884 O\n0.768884 0.069788 0.124696 O\n0.875304 0.268884 0.430212 O\n0.069788 0.124696 0.768884 O\n0.731116 0.930212 0.624696 O\n0.375304 0.231116 0.569788 O\n0.569788 0.375304 0.231116 O\n0.231116 0.569788 0.375304 O\n0.970822 0.919669 0.157667 O\n0.842333 0.470822 0.580331 O\n0.419669 0.342333 0.029178 O\n0.470822 0.580331 0.842333 O\n0.342333 0.029178 0.419669 O\n0.919669 0.157667 0.970822 O\n0.029178 0.419669 0.342333 O\n0.157667 0.970822 0.919669 O\n0.580331 0.842333 0.470822 O\n0.529178 0.080331 0.657667 O\n0.657667 0.529178 0.080331 O\n0.080331 0.657667 0.529178 O\n0.984236 0.703029 0.228704 O\n0.771296 0.484236 0.796971 O\n0.203029 0.271296 0.015764 O\n0.484236 0.796971 0.771296 O\n0.271296 0.015764 0.203029 O\n0.703029 0.228704 0.984236 O\n0.015764 0.203029 0.271296 O\n0.228704 0.984236 0.703029 O\n0.796971 0.771296 0.484236 O\n0.515764 0.296971 0.728704 O\n0.728704 0.515764 0.296971 O\n0.296971 0.728704 0.515764 O\n0.899639 0.751429 0.021471 O\n0.978529 0.399639 0.748571 O\n0.251429 0.478529 0.100361 O\n0.399639 0.748571 0.978529 O\n0.478529 0.100361 0.251429 O\n0.751429 0.021471 0.899639 O\n0.100361 0.251429 0.478529 O\n0.021471 0.899639 0.751429 O\n0.748571 0.978529 0.399639 O\n0.600361 0.248571 0.521471 O\n0.521471 0.600361 0.248571 O\n0.248571 0.521471 0.600361 O\n",
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{
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"structure_string": "Ba8 Sr4 Mg16 F56\n1.0\n12.631623 0.000000 0.000000\n0.000000 12.631623 0.000000\n0.000000 0.000000 7.575881\nBa Sr Mg F\n8 4 16 56\ndirect\n0.520394 0.188658 0.500000 Ba\n0.479606 0.811342 0.500000 Ba\n0.020394 0.311342 0.000000 Ba\n0.979606 0.688658 0.000000 Ba\n0.188658 0.520394 0.500000 Ba\n0.811342 0.479606 0.500000 Ba\n0.311342 0.020394 0.000000 Ba\n0.688658 0.979606 0.000000 Ba\n0.500000 0.500000 0.253135 Sr\n0.000000 0.000000 0.753135 Sr\n0.500000 0.500000 0.746865 Sr\n0.000000 0.000000 0.246865 Sr\n0.796379 0.203621 0.254109 Mg\n0.203621 0.796379 0.254109 Mg\n0.296379 0.296379 0.754109 Mg\n0.703621 0.703621 0.754109 Mg\n0.203621 0.796379 0.745891 Mg\n0.796379 0.203621 0.745891 Mg\n0.703621 0.703621 0.245891 Mg\n0.296379 0.296379 0.245891 Mg\n0.746909 0.951266 0.500000 Mg\n0.253091 0.048734 0.500000 Mg\n0.246909 0.548734 0.000000 Mg\n0.753091 0.451266 0.000000 Mg\n0.951266 0.746909 0.500000 Mg\n0.048734 0.253091 0.500000 Mg\n0.548734 0.246909 0.000000 Mg\n0.451266 0.753091 0.000000 Mg\n0.645584 0.192455 0.189946 F\n0.354416 0.807545 0.189946 F\n0.145584 0.307545 0.689946 F\n0.854416 0.692455 0.689946 F\n0.354416 0.807545 0.810054 F\n0.645584 0.192455 0.810054 F\n0.854416 0.692455 0.310054 F\n0.145584 0.307545 0.310054 F\n0.192455 0.645584 0.189946 F\n0.807545 0.354416 0.189946 F\n0.307545 0.145584 0.689946 F\n0.692455 0.854416 0.689946 F\n0.807545 0.354416 0.810054 F\n0.192455 0.645584 0.810054 F\n0.692455 0.854416 0.310054 F\n0.307545 0.145584 0.310054 F\n0.800858 0.045809 0.302121 F\n0.199142 0.954191 0.302121 F\n0.300858 0.454191 0.802121 F\n0.699142 0.545809 0.802121 F\n0.199142 0.954191 0.697879 F\n0.800858 0.045809 0.697879 F\n0.699142 0.545809 0.197879 F\n0.300858 0.454191 0.197879 F\n0.045809 0.800858 0.302121 F\n0.954191 0.199142 0.302121 F\n0.454191 0.300858 0.802121 F\n0.545809 0.699142 0.802121 F\n0.954191 0.199142 0.697879 F\n0.045809 0.800858 0.697879 F\n0.545809 0.699142 0.197879 F\n0.454191 0.300858 0.197879 F\n0.607489 0.011594 0.500000 F\n0.392511 0.988406 0.500000 F\n0.107489 0.488406 0.000000 F\n0.892511 0.511594 0.000000 F\n0.011594 0.607489 0.500000 F\n0.988406 0.392511 0.500000 F\n0.488406 0.107489 0.000000 F\n0.511594 0.892511 0.000000 F\n0.663721 0.663721 0.500000 F\n0.336279 0.336279 0.500000 F\n0.163721 0.836279 0.000000 F\n0.836279 0.163721 0.000000 F\n0.900459 0.900459 0.500000 F\n0.099541 0.099541 0.500000 F\n0.400459 0.599541 0.000000 F\n0.599541 0.400459 0.000000 F\n0.759270 0.240730 0.500000 F\n0.240730 0.759270 0.500000 F\n0.259270 0.259270 0.000000 F\n0.740730 0.740730 0.000000 F\n0.583914 0.416086 0.500000 F\n0.416086 0.583914 0.500000 F\n0.083914 0.083914 0.000000 F\n0.916086 0.916086 0.000000 F\n",
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{
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}