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{
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{
"id": "mp-775200",
"created_at": "2022-09-04T14:45:33.028727Z",
"structure_string": "Mn2 Ni2 P4 O16\n1.0\n0.024955 0.000070 4.767761\n9.866719 0.000257 0.054604\n0.000150 5.764983 0.000083\nMn Ni P O\n2 2 4 16\ndirect\n0.037697 0.722659 0.750009 Mn\n0.962254 0.277300 0.250005 Mn\n0.543608 0.766530 0.249966 Ni\n0.456577 0.233469 0.749979 Ni\n0.400596 0.096963 0.249988 P\n0.599340 0.903065 0.750029 P\n0.914063 0.412666 0.749999 P\n0.085997 0.587325 0.249974 P\n0.649772 0.053254 0.750003 O\n0.350209 0.946745 0.250007 O\n0.717435 0.125082 0.250008 O\n0.282498 0.874954 0.750001 O\n0.228457 0.400552 0.750006 O\n0.771578 0.599422 0.250021 O\n0.183026 0.436442 0.250015 O\n0.817004 0.563569 0.750017 O\n0.238654 0.173854 0.046878 O\n0.238628 0.173854 0.453091 O\n0.761293 0.826157 0.546903 O\n0.761304 0.826148 0.953083 O\n0.766817 0.336958 0.960411 O\n0.766829 0.336957 0.539595 O\n0.233175 0.663041 0.039576 O\n0.233185 0.663035 0.460436 O\n",
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],
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},
{
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"structure_string": "Na8 Zn8 P24 H64 O80\n1.0\n9.346763 0.000000 0.000000\n0.000000 14.844853 0.000000\n0.000000 0.000000 14.984469\nNa Zn P H O\n8 8 24 64 80\ndirect\n0.074463 0.163876 0.426659 Na\n0.574463 0.336124 0.573341 Na\n0.925537 0.663876 0.073341 Na\n0.425537 0.836124 0.926659 Na\n0.925537 0.836124 0.573341 Na\n0.425537 0.663876 0.426659 Na\n0.074463 0.336124 0.926659 Na\n0.574463 0.163876 0.073341 Na\n0.448412 0.161629 0.452174 Zn\n0.948412 0.338371 0.547826 Zn\n0.551588 0.661629 0.047826 Zn\n0.051588 0.838371 0.952174 Zn\n0.551588 0.838371 0.547826 Zn\n0.051588 0.661629 0.452174 Zn\n0.448412 0.338371 0.952174 Zn\n0.948412 0.161629 0.047826 Zn\n0.239869 0.224691 0.616897 P\n0.739869 0.275309 0.383103 P\n0.760131 0.724691 0.883103 P\n0.260131 0.775309 0.116897 P\n0.760131 0.775309 0.383103 P\n0.260131 0.724691 0.616897 P\n0.239869 0.275309 0.116897 P\n0.739869 0.224691 0.883103 P\n0.465964 0.031634 0.261550 P\n0.965964 0.468366 0.738450 P\n0.534036 0.531634 0.238450 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H\n0.026390 0.423496 0.361935 H\n0.473610 0.576504 0.861935 H\n0.973610 0.923496 0.138065 H\n0.095330 0.967586 0.386232 H\n0.595330 0.532414 0.613768 H\n0.904670 0.467586 0.113768 H\n0.404670 0.032414 0.886232 H\n0.904670 0.032414 0.613768 H\n0.404670 0.467586 0.386232 H\n0.095330 0.532414 0.886232 H\n0.595330 0.967586 0.113768 H\n0.381315 0.234511 0.567533 O\n0.881315 0.265489 0.432467 O\n0.618685 0.734511 0.932467 O\n0.118685 0.765489 0.067533 O\n0.618685 0.765489 0.432467 O\n0.118685 0.734511 0.567533 O\n0.381315 0.265489 0.067533 O\n0.881315 0.234511 0.932467 O\n0.520988 0.105626 0.324558 O\n0.020988 0.394374 0.675442 O\n0.479012 0.605626 0.175442 O\n0.979012 0.894374 0.824558 O\n0.479012 0.894374 0.675442 O\n0.979012 0.605626 0.324558 O\n0.520988 0.394374 0.824558 O\n0.020988 0.105626 0.175442 O\n0.584308 0.084357 0.535484 O\n0.084308 0.415643 0.464516 O\n0.415692 0.584357 0.964516 O\n0.915692 0.915643 0.035484 O\n0.415692 0.915643 0.464516 O\n0.915692 0.584357 0.535484 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O\n0.739337 0.293337 0.800384 O\n0.503462 0.933976 0.297486 O\n0.003462 0.566024 0.702514 O\n0.496538 0.433976 0.202514 O\n0.996538 0.066024 0.797486 O\n0.496538 0.066024 0.702514 O\n0.996538 0.433976 0.297486 O\n0.503462 0.566024 0.797486 O\n0.003462 0.933976 0.202514 O\n0.520157 0.038846 0.166258 O\n0.020157 0.461154 0.833742 O\n0.479843 0.538846 0.333742 O\n0.979843 0.961154 0.666258 O\n0.479843 0.961154 0.833742 O\n0.979843 0.538846 0.166258 O\n0.520157 0.461154 0.666258 O\n0.020157 0.038846 0.333742 O\n0.151334 0.922798 0.427186 O\n0.651334 0.577202 0.572814 O\n0.848666 0.422798 0.072814 O\n0.348666 0.077202 0.927186 O\n0.848666 0.077202 0.572814 O\n0.348666 0.422798 0.427186 O\n0.151334 0.577202 0.927186 O\n0.651334 0.922798 0.072814 O\n",
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"elements": [
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"P",
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],
"chemical_system": "H-Na-O-P-Zn",
"density": 2.232315738771314,
"density_atomic": 0.08849919765195906,
"volume": 2079.1148946187864,
"volume_molar": 6.804740517177662,
"formula_full": "Na8 Zn8 P24 H64 O80",
"formula_reduced": "NaZnP3(H4O5)2",
"formula_anonymous": "ABC3D8E10",
"energy": -1084.28365945,
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"updated_at": "2021-11-28T01:34:33.156000Z",
"spacegroup": 61
},
{
"id": "mp-1202100",
"created_at": "2022-09-04T14:44:40.960869Z",
"structure_string": "Al24 P24 H56 C8 N8 O104\n1.0\n10.411619 -0.000000 0.000000\n0.000000 14.101279 0.000000\n0.000000 0.000000 17.239736\nAl P H C N O\n24 24 56 8 8 104\ndirect\n0.830549 0.022370 0.197769 Al\n0.330549 0.977630 0.302231 Al\n0.169451 0.477630 0.697769 Al\n0.669451 0.522370 0.802231 Al\n0.169451 0.977630 0.802231 Al\n0.669451 0.022370 0.697769 Al\n0.830549 0.522370 0.302231 Al\n0.330549 0.477630 0.197769 Al\n0.874160 0.937043 0.393144 Al\n0.374160 0.062957 0.106856 Al\n0.125840 0.562957 0.893144 Al\n0.625840 0.437043 0.606856 Al\n0.125840 0.062957 0.606856 Al\n0.625840 0.937043 0.893144 Al\n0.874160 0.437043 0.106856 Al\n0.374160 0.562957 0.393144 Al\n0.621512 0.257780 0.307365 Al\n0.121512 0.742220 0.192635 Al\n0.378488 0.242220 0.807365 Al\n0.878488 0.757780 0.692635 Al\n0.378488 0.742220 0.692635 Al\n0.878488 0.257780 0.807365 Al\n0.621512 0.757780 0.192635 Al\n0.121512 0.242220 0.307365 Al\n0.867233 0.246677 0.203391 P\n0.367233 0.753323 0.296609 P\n0.132767 0.253323 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},
{
"id": "mp-675296",
"created_at": "2022-09-04T14:43:23.096446Z",
"structure_string": "Mn4 Cu2 O8\n1.0\n5.279273 -0.284868 3.227038\n1.677156 4.743715 2.904920\n0.155060 -0.284868 6.185503\nMn Cu O\n4 2 8\ndirect\n0.023979 0.976021 0.023979 Mn\n0.226021 0.273979 0.226021 Mn\n0.125000 0.625000 0.625000 Mn\n0.625000 0.625000 0.125000 Mn\n0.625000 0.125000 0.625000 Cu\n0.625000 0.625000 0.625000 Cu\n0.363156 0.412827 0.363156 O\n0.366883 0.409312 0.814493 O\n0.363156 0.860861 0.363156 O\n0.435507 0.840688 0.883117 O\n0.814493 0.409312 0.366883 O\n0.883117 0.840688 0.435507 O\n0.886844 0.389139 0.886844 O\n0.886844 0.837173 0.886844 O\n",
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{
"id": "mp-1031204",
"created_at": "2022-09-04T14:40:03.647852Z",
"structure_string": "Rb1 Mg6 Ti1 O8\n1.0\n8.845088 0.000000 0.000000\n0.000000 4.520876 0.000000\n0.000000 0.000000 4.520876\nRb Mg Ti O\n1 6 1 8\ndirect\n-0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 -0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.260998 -0.000000 0.500000 Mg\n0.739002 0.000000 0.500000 Mg\n0.260998 0.500000 0.000000 Mg\n0.739002 0.500000 -0.000000 Mg\n-0.000000 0.000000 -0.000000 Ti\n0.244154 -0.000000 0.000000 O\n0.755846 0.000000 -0.000000 O\n0.281961 0.500000 0.500000 O\n0.718039 0.500000 0.500000 O\n-0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
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{
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"structure_string": "Zn4 Cu4 Ni4 P8 O36\n1.0\n6.213015 -0.000458 0.000394\n-0.000527 7.152672 -0.001570\n0.000885 -0.002573 14.237601\nZn Cu Ni P O\n4 4 4 8 36\ndirect\n0.750015 0.883561 0.777927 Zn\n0.749993 0.615998 0.276815 Zn\n0.249959 0.116552 0.222082 Zn\n0.250004 0.383154 0.722889 Zn\n0.750086 0.354823 0.878989 Cu\n0.249946 0.645559 0.121164 Cu\n0.250161 0.855445 0.621685 Cu\n0.749828 0.144770 0.378366 Cu\n0.500003 0.000209 0.000280 Ni\n0.499994 0.499937 0.500076 Ni\n0.000056 0.499939 0.500105 Ni\n0.999961 0.000169 0.000292 Ni\n0.250047 0.363790 0.930608 P\n0.749973 0.636301 0.069590 P\n0.750056 0.864349 0.569701 P\n0.249937 0.135636 0.430203 P\n0.750027 0.385904 0.698086 P\n0.249957 0.614093 0.301898 P\n0.249971 0.885183 0.802201 P\n0.749999 0.115112 0.197869 P\n0.037901 0.607820 0.359905 O\n0.537738 0.391825 0.639968 O\n0.962199 0.108168 0.140046 O\n0.462113 0.892076 0.860034 O\n0.962313 0.391889 0.639936 O\n0.462039 0.607860 0.359861 O\n0.037823 0.891999 0.860049 O\n0.537804 0.108143 0.140061 O\n0.250084 0.328075 0.480358 O\n0.749949 0.671649 0.519676 O\n0.749967 0.828570 0.019946 O\n0.249942 0.171637 0.980453 O\n0.750053 0.134109 0.948390 O\n0.249963 0.864285 0.051181 O\n0.250276 0.637405 0.549056 O\n0.749758 0.362386 0.451011 O\n0.750095 0.204042 0.759390 O\n0.249916 0.795742 0.240104 O\n0.250008 0.702793 0.740792 O\n0.749975 0.297563 0.259233 O\n0.435633 0.128200 0.356578 O\n0.935999 0.871679 0.643193 O\n0.564312 0.628508 0.143095 O\n0.064368 0.371777 0.857076 O\n0.564269 0.871834 0.643300 O\n0.064095 0.128366 0.356678 O\n0.435859 0.371622 0.857133 O\n0.935531 0.628544 0.143140 O\n0.750055 0.954312 0.273480 O\n0.249915 0.046171 0.726613 O\n0.249944 0.453646 0.225906 O\n0.750005 0.547139 0.773451 O\n0.749936 0.021391 0.500247 O\n0.249998 0.978187 0.499549 O\n0.250060 0.521851 0.000022 O\n0.750131 0.478253 0.000262 O\n",
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]
}