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{
"id": "mp-1147617",
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"structure_string": "Li24 Zn12 P16 S64\n1.0\n9.327779 0.000000 0.000000\n0.000000 11.599936 0.000000\n0.000000 0.028466 23.153552\nLi Zn P S\n24 12 16 64\ndirect\n0.250896 0.369826 0.186607 Li\n0.251234 0.377881 0.937696 Li\n0.751234 0.622119 0.062304 Li\n0.750896 0.630174 0.813393 Li\n0.498330 0.875761 0.562126 Li\n0.499460 0.375109 0.562259 Li\n0.501978 0.876207 0.312158 Li\n0.500772 0.373666 0.313406 Li\n0.999460 0.624891 0.437741 Li\n0.998330 0.124239 0.437874 Li\n0.494130 0.877109 0.062850 Li\n0.506049 0.372116 0.062380 Li\n0.999123 0.626462 0.188532 Li\n0.997379 0.123386 0.186893 Li\n0.497379 0.876614 0.813107 Li\n0.499123 0.373538 0.811468 Li\n0.006049 0.627884 0.937620 Li\n0.994130 0.122891 0.937150 Li\n0.000772 0.626334 0.686594 Li\n0.001978 0.123793 0.687842 Li\n0.503679 0.123469 0.187135 Li\n0.495157 0.626758 0.937041 Li\n0.995157 0.373242 0.062959 Li\n0.003679 0.876531 0.812865 Li\n0.499536 0.124027 0.688333 Zn\n0.494881 0.627588 0.686507 Zn\n0.499706 0.124812 0.437320 Zn\n0.501150 0.625408 0.437699 Zn\n0.999706 0.875188 0.562680 Zn\n0.001150 0.374592 0.562301 Zn\n0.502072 0.624999 0.188787 Zn\n0.999536 0.875973 0.311667 Zn\n0.994881 0.372412 0.313493 Zn\n0.504613 0.122608 0.937392 Zn\n0.004613 0.877392 0.062608 Zn\n0.002072 0.375001 0.811213 Zn\n0.250001 0.125195 0.562541 P\n0.249811 0.624950 0.562323 P\n0.247005 0.129109 0.312719 P\n0.252782 0.625223 0.312424 P\n0.750001 0.874805 0.437459 P\n0.749811 0.375050 0.437677 P\n0.250104 0.121739 0.064300 P\n0.249869 0.628026 0.061057 P\n0.753249 0.874009 0.189041 P\n0.747149 0.380317 0.186044 P\n0.253249 0.125991 0.810959 P\n0.247149 0.619683 0.813956 P\n0.750104 0.878261 0.935700 P\n0.749869 0.371974 0.938943 P\n0.747005 0.870891 0.687281 P\n0.752782 0.374777 0.687576 P\n0.136162 0.019871 0.760779 S\n0.130919 0.513530 0.759020 S\n0.135434 0.013719 0.510571 S\n0.135211 0.513667 0.510297 S\n0.630429 0.763370 0.633989 S\n0.634367 0.265617 0.636405 S\n0.134937 0.016074 0.260545 S\n0.131466 0.513296 0.260964 S\n0.635346 0.763577 0.385418 S\n0.636294 0.263492 0.385632 S\n0.131199 0.017838 0.010002 S\n0.130481 0.516861 0.011066 S\n0.632550 0.763068 0.135488 S\n0.634352 0.270528 0.135719 S\n0.631657 0.767066 0.885423 S\n0.629123 0.267870 0.885416 S\n0.364187 0.728817 0.506435 S\n0.364829 0.229043 0.506752 S\n0.363703 0.729812 0.256332 S\n0.367758 0.230390 0.258569 S\n0.863711 0.479788 0.382032 S\n0.864883 0.978458 0.381717 S\n0.371558 0.729243 0.010177 S\n0.368169 0.228226 0.007084 S\n0.872523 0.484429 0.134361 S\n0.864599 0.976934 0.131764 S\n0.366398 0.724613 0.758956 S\n0.369697 0.232455 0.757054 S\n0.869251 0.479071 0.882366 S\n0.868799 0.979406 0.883780 S\n0.865488 0.479380 0.631921 S\n0.864288 0.976027 0.632631 S\n0.135346 0.236423 0.614582 S\n0.136294 0.736508 0.614368 S\n0.130429 0.236630 0.366011 S\n0.134367 0.734383 0.363595 S\n0.635434 0.986281 0.489429 S\n0.635211 0.486333 0.489703 S\n0.131657 0.232934 0.114577 S\n0.129123 0.732130 0.114584 S\n0.636162 0.980129 0.239221 S\n0.630919 0.486470 0.240980 S\n0.132550 0.236932 0.864512 S\n0.134352 0.729472 0.864281 S\n0.631199 0.982162 0.989998 S\n0.630481 0.483139 0.988934 S\n0.634937 0.983926 0.739455 S\n0.631466 0.486704 0.739036 S\n0.364883 0.021542 0.618283 S\n0.363711 0.520212 0.617968 S\n0.364288 0.023973 0.367369 S\n0.365488 0.520620 0.368079 S\n0.864829 0.770957 0.493248 S\n0.864187 0.271183 0.493565 S\n0.368799 0.020594 0.116220 S\n0.369251 0.520929 0.117634 S\n0.869697 0.767545 0.242946 S\n0.866398 0.275387 0.241044 S\n0.364599 0.023066 0.868236 S\n0.372523 0.515571 0.865639 S\n0.868169 0.771774 0.992916 S\n0.871558 0.270757 0.989823 S\n0.867758 0.769610 0.741431 S\n0.863703 0.270188 0.743668 S\n",
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"volume": 2505.252284845861,
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"formula_full": "Li24 Zn12 P16 S64",
"formula_reduced": "Li6Zn3(PS4)4",
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{
"id": "mp-1184959",
"created_at": "2022-09-04T14:40:53.594264Z",
"structure_string": "K1 Sr1 O3\n1.0\n4.846730 0.000000 0.000000\n0.000000 4.846730 0.000000\n0.000000 0.000000 4.846730\nK Sr O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Sr\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"formula_full": "K1 Sr1 O3",
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"updated_at": "2021-11-28T01:34:59.319000Z",
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},
{
"id": "mp-757820",
"created_at": "2022-09-04T14:40:43.745851Z",
"structure_string": "Li8 Ni8 P8 O32\n1.0\n6.144610 0.000000 0.000000\n0.000000 7.413244 0.000000\n0.000000 0.000000 13.449582\nLi Ni P O\n8 8 8 32\ndirect\n0.441260 0.173460 0.021227 Li\n0.941260 0.173460 0.478773 Li\n0.441260 0.326540 0.521227 Li\n0.941260 0.326540 0.978773 Li\n0.058740 0.673460 0.021227 Li\n0.558740 0.673460 0.478773 Li\n0.058740 0.826540 0.521227 Li\n0.558740 0.826540 0.978773 Li\n0.212133 0.186500 0.714671 Ni\n0.712133 0.186500 0.785329 Ni\n0.712133 0.313500 0.285329 Ni\n0.212133 0.313500 0.214671 Ni\n0.287867 0.686500 0.714671 Ni\n0.787867 0.686500 0.785329 Ni\n0.287867 0.813500 0.214671 Ni\n0.787867 0.813500 0.285329 Ni\n0.890041 0.039631 0.127829 P\n0.390041 0.039631 0.372171 P\n0.890041 0.460369 0.627829 P\n0.390041 0.460369 0.872171 P\n0.609959 0.539631 0.127829 P\n0.109959 0.539631 0.372171 P\n0.609959 0.960369 0.627829 P\n0.109959 0.960369 0.872171 P\n0.788800 0.970633 0.550532 O\n0.288800 0.970633 0.949468 O\n0.297229 0.068780 0.263606 O\n0.797229 0.068780 0.236394 O\n0.492618 0.147423 0.640180 O\n0.992618 0.147423 0.859820 O\n0.047040 0.197903 0.105496 O\n0.547040 0.197903 0.394504 O\n0.047040 0.302097 0.605496 O\n0.547040 0.302097 0.894504 O\n0.492618 0.352577 0.140180 O\n0.992618 0.352577 0.359820 O\n0.797229 0.431220 0.736394 O\n0.297229 0.431220 0.763606 O\n0.788800 0.529367 0.050532 O\n0.288800 0.529367 0.449468 O\n0.211200 0.470633 0.949468 O\n0.711200 0.470633 0.550532 O\n0.702771 0.568780 0.236394 O\n0.202771 0.568780 0.263606 O\n0.007382 0.647423 0.640180 O\n0.507382 0.647423 0.859820 O\n0.452960 0.697903 0.105496 O\n0.952960 0.697903 0.394504 O\n0.452960 0.802097 0.605496 O\n0.952960 0.802097 0.894504 O\n0.007382 0.852577 0.140180 O\n0.507382 0.852577 0.359820 O\n0.702771 0.931220 0.736394 O\n0.202771 0.931220 0.763606 O\n0.711200 0.029367 0.050532 O\n0.211200 0.029367 0.449468 O\n",
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"formula_full": "Li8 Ni8 P8 O32",
"formula_reduced": "LiNiPO4",
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"spacegroup": 61
},
{
"id": "mp-1346591",
"created_at": "2022-09-04T14:40:43.876902Z",
"structure_string": "La2 Ti2 Cr2 O12\n1.0\n5.412056 0.000000 0.000000\n0.000000 5.387393 0.000000\n0.000000 5.395869 7.668802\nLa Ti Cr O\n2 2 2 12\ndirect\n0.228501 0.745764 0.250332 La\n0.771499 0.745764 0.750332 La\n0.253138 0.487586 0.003399 Ti\n0.746862 0.487586 0.503399 Ti\n0.258918 0.989099 0.504736 Cr\n0.741082 0.989099 0.004736 Cr\n0.743638 0.203031 0.749527 O\n0.478983 0.751324 0.022719 O\n0.466233 0.283386 0.476592 O\n0.974597 0.731380 0.017424 O\n0.983300 0.258110 0.478637 O\n0.249188 0.790497 0.746427 O\n0.256362 0.203031 0.249527 O\n0.521017 0.751324 0.522719 O\n0.533767 0.283386 0.976592 O\n0.025403 0.731380 0.517424 O\n0.016700 0.258110 0.978637 O\n0.750812 0.790497 0.246427 O\n",
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"formula_full": "La2 Ti2 Cr2 O12",
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{
"id": "mp-569200",
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"structure_string": "Eu1 Al8 Fe4\n1.0\n-4.386479 4.386479 2.513985\n4.386479 -4.386479 2.513985\n4.386479 4.386479 -2.513985\nEu Al Fe\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Eu\n0.659450 0.000000 0.659450 Al\n0.000000 0.340550 0.340550 Al\n0.274976 0.500000 0.774976 Al\n0.500000 0.725024 0.225024 Al\n0.725024 0.500000 0.225024 Al\n0.340550 0.000000 0.340550 Al\n0.500000 0.274976 0.774976 Al\n0.000000 0.659450 0.659450 Al\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n",
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],
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{
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"structure_string": "K6 Si6 N10\n1.0\n5.562619 -0.299294 0.363231\n-0.996091 7.149024 0.152270\n-1.318640 -2.607047 7.698065\nK Si N\n6 6 10\ndirect\n0.833447 0.428392 0.614571 K\n0.166553 0.571608 0.385429 K\n0.628939 0.824962 0.910407 K\n0.371061 0.175038 0.089593 K\n0.647589 0.620225 0.243817 K\n0.352411 0.379775 0.756183 K\n0.932533 0.323152 0.982544 Si\n0.067467 0.676848 0.017456 Si\n0.686708 0.974790 0.594303 Si\n0.313292 0.025210 0.405697 Si\n0.076107 0.905578 0.717023 Si\n0.923893 0.094422 0.282977 Si\n0.917889 0.122650 0.777541 N\n0.082111 0.877350 0.222459 N\n0.817197 0.773937 0.569516 N\n0.182803 0.226063 0.430484 N\n0.781361 0.502220 0.945248 N\n0.218639 0.497780 0.054752 N\n0.353569 0.958806 0.603648 N\n0.646431 0.041194 0.396352 N\n0.151131 0.799816 0.868319 N\n0.848869 0.200184 0.131681 N\n",
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{
"id": "mp-850228",
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"structure_string": "Li6 Mn5 Fe1 B6 O18\n1.0\n3.184144 8.262072 0.000000\n-3.184144 8.262072 0.000000\n0.000000 4.131060 7.170945\nLi Mn Fe B O\n6 5 1 6 18\ndirect\n0.758378 0.259156 0.283723 Li\n0.259156 0.758378 0.283723 Li\n0.598838 0.100093 0.016756 Li\n0.100093 0.598838 0.016756 Li\n0.891183 0.392318 0.698370 Li\n0.392318 0.891183 0.698370 Li\n0.820548 0.820548 0.371090 Mn\n0.320063 0.320063 0.371586 Mn\n0.993951 0.993951 0.641196 Mn\n0.185721 0.185721 0.988022 Mn\n0.685819 0.685819 0.988234 Mn\n0.495853 0.495853 0.639996 Fe\n0.418285 0.914240 0.334288 B\n0.914240 0.418285 0.334288 B\n0.582884 0.085160 0.666474 B\n0.085160 0.582884 0.666474 B\n0.000018 0.000018 0.000193 B\n0.499056 0.499056 0.999526 B\n0.539487 0.539487 0.112289 O\n0.039045 0.039045 0.115768 O\n0.958900 0.459364 0.140957 O\n0.459364 0.958900 0.140957 O\n0.903193 0.903193 0.077954 O\n0.402374 0.402374 0.079306 O\n0.323496 0.815150 0.442251 O\n0.815150 0.323496 0.442251 O\n0.970087 0.470373 0.419842 O\n0.470373 0.970087 0.419842 O\n0.624411 0.125174 0.472939 O\n0.125174 0.624411 0.472939 O\n0.555375 0.555375 0.805121 O\n0.057894 0.057894 0.806814 O\n0.487458 0.986472 0.777878 O\n0.986472 0.487458 0.777878 O\n0.637516 0.142651 0.747975 O\n0.142651 0.637516 0.747975 O\n",
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"formula_full": "Li6 Mn5 Fe1 B6 O18",
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{
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{
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{
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{
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}