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{
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{
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{
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{
"id": "mp-1518566",
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{
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"structure_string": "Li8 Mn8 P8 O32\n1.0\n5.158470 0.000000 0.000000\n0.000000 10.253691 0.000000\n0.000000 0.000000 13.931720\nLi Mn P O\n8 8 8 32\ndirect\n0.928883 0.030602 0.498283 Li\n0.553188 0.222369 0.249333 Li\n0.553188 0.277631 0.749333 Li\n0.928883 0.469398 0.998283 Li\n0.071117 0.530602 0.498283 Li\n0.446812 0.722369 0.249333 Li\n0.446812 0.777631 0.749333 Li\n0.071117 0.969398 0.998283 Li\n0.059198 0.034362 0.247127 Mn\n0.556681 0.216356 0.998722 Mn\n0.556681 0.283644 0.498722 Mn\n0.059198 0.465638 0.747127 Mn\n0.940802 0.534362 0.247127 Mn\n0.443319 0.716356 0.998722 Mn\n0.443319 0.783644 0.498722 Mn\n0.940802 0.965638 0.747127 Mn\n0.434515 0.031646 0.623811 P\n0.053295 0.216293 0.872489 P\n0.053295 0.283707 0.372489 P\n0.434515 0.468354 0.123811 P\n0.565485 0.531646 0.623811 P\n0.946705 0.716293 0.872489 P\n0.946705 0.783707 0.372489 P\n0.565485 0.968354 0.123811 P\n0.861621 0.997943 0.119216 O\n0.564974 0.973594 0.532291 O\n0.454991 0.034669 0.215807 O\n0.996173 0.067106 0.875259 O\n0.489092 0.180593 0.626595 O\n0.931898 0.221232 0.464161 O\n0.931286 0.275858 0.780312 O\n0.349926 0.244225 0.870994 O\n0.349926 0.255775 0.370994 O\n0.931286 0.224142 0.280312 O\n0.931898 0.278768 0.964161 O\n0.489092 0.319407 0.126595 O\n0.996173 0.432894 0.375259 O\n0.454991 0.465331 0.715807 O\n0.564974 0.526406 0.032291 O\n0.861621 0.502057 0.619216 O\n0.138379 0.497943 0.119216 O\n0.435026 0.473594 0.532291 O\n0.545009 0.534669 0.215807 O\n0.003827 0.567106 0.875259 O\n0.510908 0.680593 0.626595 O\n0.068102 0.721232 0.464161 O\n0.068714 0.775858 0.780312 O\n0.650074 0.744225 0.870994 O\n0.650074 0.755775 0.370994 O\n0.068714 0.724142 0.280312 O\n0.068102 0.778768 0.964161 O\n0.510908 0.819407 0.126595 O\n0.003827 0.932894 0.375259 O\n0.545009 0.965331 0.715807 O\n0.435026 0.026406 0.032291 O\n0.138379 0.002057 0.619216 O\n",
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],
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"formula_full": "Li8 Mn8 P8 O32",
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"updated_at": "2021-11-28T01:37:32.412000Z",
"spacegroup": 29
},
{
"id": "mp-694996",
"created_at": "2022-09-04T14:46:32.728797Z",
"structure_string": "Rb2 Ni2 W2 O6 F6\n1.0\n-2.022468 -6.011208 3.708470\n6.323353 -0.067927 3.741787\n-6.348225 0.149336 3.785666\nRb Ni W O F\n2 2 2 6 6\ndirect\n0.637516 0.137280 0.749916 Rb\n0.362645 0.862610 0.250053 Rb\n0.999748 0.500239 0.000626 Ni\n0.000049 0.499671 0.499228 Ni\n0.999985 0.999911 0.999925 W\n0.499865 0.499918 0.500043 W\n0.303960 0.803914 0.749970 O\n0.695974 0.196043 0.250081 O\n0.310678 0.433388 0.397828 O\n0.933470 0.810852 0.102269 O\n0.689266 0.566623 0.601948 O\n0.066493 0.189389 0.898173 O\n0.079650 0.579403 0.249847 F\n0.920727 0.420925 0.750068 F\n0.921180 0.845314 0.753980 F\n0.654555 0.578822 0.254186 F\n0.345404 0.421140 0.745972 F\n0.078835 0.154558 0.245886 F\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "F-Ni-O-Rb-W",
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"density_atomic": 0.062017993301776216,
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"formula_full": "Rb2 Ni2 W2 O6 F6",
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"updated_at": "2021-11-28T01:37:30.642000Z",
"spacegroup": 15
},
{
"id": "mp-24396",
"created_at": "2022-09-04T14:46:36.445206Z",
"structure_string": "Mg4 H56 S4 O44\n1.0\n6.804791 0.000000 0.000000\n0.000000 11.992958 0.000000\n0.000000 0.000000 12.081265\nMg H S O\n4 56 4 44\ndirect\n0.037667 0.419322 0.106765 Mg\n0.537667 0.080678 0.893235 Mg\n0.962333 0.919322 0.393235 Mg\n0.462333 0.580678 0.606765 Mg\n0.482002 0.516082 0.867867 H\n0.982002 0.983918 0.132133 H\n0.517998 0.016082 0.632133 H\n0.017998 0.483918 0.367867 H\n0.538477 0.565227 0.985087 H\n0.038477 0.934773 0.014913 H\n0.461523 0.065227 0.514913 H\n0.961523 0.434773 0.485087 H\n0.104235 0.596425 0.501154 H\n0.604235 0.903575 0.498846 H\n0.895765 0.096425 0.998846 H\n0.395765 0.403575 0.001154 H\n0.174614 0.721484 0.530808 H\n0.674614 0.778516 0.469192 H\n0.825386 0.221484 0.969192 H\n0.325386 0.278516 0.030808 H\n0.733350 0.582352 0.442302 H\n0.233350 0.917648 0.557698 H\n0.266650 0.082352 0.057698 H\n0.766650 0.417648 0.942302 H\n0.534623 0.636842 0.392198 H\n0.034623 0.863158 0.607802 H\n0.465377 0.136842 0.107802 H\n0.965377 0.363158 0.892198 H\n0.477879 0.394810 0.472492 H\n0.977879 0.105190 0.527508 H\n0.397999 0.766991 0.725207 H\n0.522121 0.894810 0.027508 H\n0.300507 0.378844 0.555449 H\n0.800507 0.121156 0.444551 H\n0.699493 0.878844 0.944551 H\n0.199493 0.621156 0.055449 H\n0.758900 0.453613 0.685151 H\n0.258900 0.046387 0.314849 H\n0.241100 0.953613 0.814849 H\n0.741100 0.546387 0.185151 H\n0.811103 0.577459 0.726467 H\n0.311103 0.922541 0.273533 H\n0.188897 0.077459 0.773533 H\n0.688897 0.422541 0.226467 H\n0.240864 0.452268 0.754815 H\n0.740864 0.047732 0.245185 H\n0.759136 0.952268 0.745185 H\n0.259136 0.547732 0.254815 H\n0.195781 0.579462 0.775429 H\n0.695781 0.920538 0.224571 H\n0.804219 0.079462 0.724571 H\n0.304219 0.420538 0.275429 H\n0.630867 0.765333 0.700717 H\n0.130867 0.734667 0.299283 H\n0.369133 0.265333 0.799283 H\n0.869133 0.234667 0.200717 H\n0.102001 0.233009 0.225207 H\n0.602001 0.266991 0.774793 H\n0.897999 0.733009 0.274793 H\n0.022121 0.605190 0.972492 H\n0.496524 0.720802 0.179838 S\n0.996524 0.779198 0.820162 S\n0.503476 0.220802 0.320162 S\n0.003476 0.279198 0.679838 S\n0.553038 0.498589 0.937440 O\n0.053038 0.001411 0.062560 O\n0.446962 0.998589 0.562560 O\n0.946962 0.501411 0.437440 O\n0.206475 0.641694 0.539287 O\n0.706475 0.858306 0.460713 O\n0.793525 0.141694 0.960713 O\n0.293525 0.358306 0.039287 O\n0.615166 0.628604 0.459840 O\n0.115166 0.871396 0.540160 O\n0.384834 0.128604 0.040160 O\n0.884834 0.371396 0.959840 O\n0.423583 0.421939 0.543039 O\n0.923583 0.078061 0.456961 O\n0.576417 0.921939 0.956961 O\n0.076417 0.578061 0.043039 O\n0.728183 0.534236 0.675282 O\n0.228183 0.965764 0.324718 O\n0.271817 0.034236 0.824718 O\n0.771817 0.465764 0.175282 O\n0.303299 0.527599 0.753235 O\n0.803299 0.972401 0.246765 O\n0.696701 0.027599 0.746765 O\n0.196701 0.472401 0.253235 O\n0.501787 0.736544 0.676151 O\n0.001787 0.763456 0.323849 O\n0.498213 0.236544 0.823849 O\n0.998213 0.263456 0.176151 O\n0.132962 0.322272 0.772267 O\n0.632962 0.177728 0.227733 O\n0.867038 0.822272 0.727733 O\n0.367038 0.677728 0.272267 O\n0.798269 0.316052 0.701388 O\n0.298269 0.183948 0.298612 O\n0.201731 0.816052 0.798612 O\n0.701731 0.683948 0.201388 O\n0.013165 0.154287 0.678377 O\n0.513165 0.345713 0.321623 O\n0.986835 0.654287 0.821623 O\n0.486835 0.845713 0.178377 O\n0.072191 0.324697 0.572441 O\n0.572191 0.175303 0.427559 O\n0.927809 0.824697 0.927559 O\n0.427809 0.675303 0.072441 O\n",
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"elements": [
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],
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"volume": 985.9468738636955,
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"formula_full": "Mg4 H56 S4 O44",
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"updated_at": "2021-11-28T01:37:42.950000Z",
"spacegroup": 19
}
]
}