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{
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"structure_string": "Zr4 P6 H8 N2 O24\n1.0\n8.620637 -4.405495 0.000000\n8.620637 4.405495 0.000000\n6.369250 0.000000 7.290845\nZr P H N O\n4 6 8 2 24\ndirect\n0.151409 0.151409 0.151409 Zr\n0.349537 0.349537 0.349537 Zr\n0.651409 0.651409 0.651409 Zr\n0.849537 0.849537 0.849537 Zr\n0.748613 0.037210 0.466851 P\n0.037210 0.466851 0.748613 P\n0.466851 0.748613 0.037210 P\n0.537210 0.248613 0.966851 P\n0.966851 0.537210 0.248613 P\n0.248613 0.966851 0.537210 P\n0.463952 0.463952 0.463952 H\n0.646274 0.454824 0.460689 H\n0.454824 0.460689 0.646274 H\n0.460689 0.646274 0.454824 H\n0.954824 0.146274 0.960689 H\n0.960689 0.954824 0.146274 H\n0.146274 0.960689 0.954824 H\n0.963952 0.963952 0.963952 H\n0.005475 0.005475 0.005475 N\n0.505475 0.505475 0.505475 N\n0.246649 0.139842 0.513467 O\n0.513467 0.246649 0.139842 O\n0.139842 0.513467 0.246649 O\n0.923536 0.072838 0.302713 O\n0.576093 0.201871 0.428386 O\n0.746649 0.013467 0.639842 O\n0.072838 0.302713 0.923536 O\n0.201871 0.428386 0.576093 O\n0.428386 0.576093 0.201871 O\n0.701871 0.076093 0.928386 O\n0.364412 0.251392 0.987867 O\n0.013467 0.639842 0.746649 O\n0.987867 0.364412 0.251392 O\n0.639842 0.746649 0.013467 O\n0.302713 0.923536 0.072838 O\n0.572838 0.423536 0.802713 O\n0.802713 0.572838 0.423536 O\n0.928386 0.701871 0.076093 O\n0.251392 0.987867 0.364412 O\n0.423536 0.802713 0.572838 O\n0.076093 0.928386 0.701871 O\n0.864412 0.487867 0.751392 O\n0.487867 0.751392 0.864412 O\n0.751392 0.864412 0.487867 O\n",
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{
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"structure_string": "Cr6 P8 O28\n1.0\n5.280085 0.000000 0.000000\n1.736828 6.173816 0.000000\n2.545605 1.145022 15.984264\nCr P O\n6 8 28\ndirect\n0.041948 0.626802 0.821543 Cr\n0.810250 0.723058 0.407492 Cr\n0.763658 0.021973 0.682921 Cr\n0.189750 0.276942 0.592508 Cr\n0.236342 0.978027 0.317079 Cr\n0.958052 0.373198 0.178457 Cr\n0.188238 0.101129 0.796113 P\n0.557531 0.231737 0.075420 P\n0.307207 0.772536 0.547500 P\n0.442469 0.768263 0.924580 P\n0.811762 0.898871 0.203887 P\n0.692793 0.227464 0.452500 P\n0.374247 0.434094 0.315807 P\n0.625753 0.565906 0.684193 P\n0.429730 0.302073 0.404959 O\n0.882529 0.028087 0.410038 O\n0.575425 0.166686 0.541381 O\n0.810402 0.340015 0.661670 O\n0.117471 0.971913 0.589962 O\n0.003162 0.953928 0.787665 O\n0.996838 0.046072 0.212335 O\n0.784483 0.697141 0.720241 O\n0.424575 0.833314 0.458619 O\n0.657254 0.151771 0.989655 O\n0.638326 0.877964 0.290980 O\n0.969687 0.681546 0.173791 O\n0.361674 0.122036 0.709020 O\n0.287175 0.617458 0.900133 O\n0.828930 0.409709 0.446702 O\n0.030313 0.318454 0.826209 O\n0.712825 0.382542 0.099867 O\n0.363175 0.553255 0.731540 O\n0.570270 0.697927 0.595041 O\n0.258613 0.328655 0.091453 O\n0.601720 0.019904 0.145046 O\n0.189598 0.659985 0.338330 O\n0.636825 0.446745 0.268460 O\n0.741387 0.671345 0.908547 O\n0.398280 0.980096 0.854954 O\n0.342746 0.848229 0.010345 O\n0.215517 0.302859 0.279759 O\n0.171070 0.590291 0.553298 O\n",
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"volume": 521.0594056418294,
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"formula_full": "Cr6 P8 O28",
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},
{
"id": "mp-1642784",
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"structure_string": "Li8 Co4 P8 O28\n1.0\n-0.000853 4.878765 0.016210\n-2.466940 0.035937 11.922068\n9.032313 0.003507 0.611794\nLi Co P O\n8 4 8 28\ndirect\n0.721537 0.116310 0.643613 Li\n0.221488 0.116362 0.143576 Li\n0.247273 0.297913 0.840398 Li\n0.747307 0.297920 0.340404 Li\n0.781934 0.616583 0.136859 Li\n0.281935 0.616601 0.636873 Li\n0.257261 0.796252 0.340118 Li\n0.757211 0.796274 0.840131 Li\n0.259547 0.997722 0.751302 Co\n0.742525 0.498331 0.749591 Co\n0.759572 0.997733 0.251309 Co\n0.242569 0.498333 0.249584 Co\n0.300983 0.877364 0.052451 P\n0.801039 0.877333 0.552448 P\n0.273835 0.640452 0.949617 P\n0.773954 0.640431 0.449651 P\n0.703904 0.377171 0.051078 P\n0.203854 0.377181 0.551105 P\n0.724828 0.139514 0.951679 P\n0.224834 0.139542 0.451717 P\n0.124106 0.763040 0.001548 O\n0.624158 0.763009 0.501550 O\n0.878176 0.260913 0.001705 O\n0.378176 0.260931 0.501748 O\n0.108248 0.106900 0.596184 O\n0.608241 0.106902 0.096193 O\n0.564437 0.402856 0.907924 O\n0.064448 0.402863 0.407925 O\n0.393445 0.606477 0.092874 O\n0.893488 0.606442 0.592906 O\n0.940303 0.903151 0.409442 O\n0.440280 0.903171 0.909441 O\n0.495024 0.657266 0.832722 O\n0.995156 0.657236 0.332715 O\n0.504253 0.852106 0.173468 O\n0.004307 0.852090 0.673466 O\n0.500749 0.158158 0.836879 O\n0.000807 0.158181 0.336882 O\n0.501532 0.354479 0.173705 O\n0.001471 0.354490 0.673708 O\n0.034668 0.573326 0.883598 O\n0.534872 0.573317 0.383601 O\n0.084445 0.961744 0.114611 O\n0.584469 0.961710 0.614626 O\n0.958413 0.069373 0.882496 O\n0.458492 0.069386 0.382525 O\n0.921827 0.460353 0.111092 O\n0.421769 0.460383 0.611118 O\n",
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"formula_full": "Li8 Co4 P8 O28",
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},
{
"id": "mp-1178037",
"created_at": "2022-09-04T14:39:31.688137Z",
"structure_string": "Li8 Co4 Ni12 O32\n1.0\n8.077961 -0.009624 0.049648\n-0.010422 8.145578 -0.021715\n0.049888 -0.020578 8.037375\nLi Co Ni O\n8 4 12 32\ndirect\n0.997540 0.003784 0.997615 Li\n0.252979 0.245070 0.253538 Li\n0.246679 0.744920 0.746776 Li\n0.494886 0.003877 0.494338 Li\n0.503038 0.502069 0.001337 Li\n0.752305 0.247419 0.756560 Li\n0.750070 0.747023 0.247723 Li\n0.002690 0.506489 0.500760 Li\n0.121660 0.874712 0.371435 Co\n0.373575 0.123737 0.873240 Co\n0.625646 0.625875 0.624774 Co\n0.880362 0.373999 0.131075 Co\n0.123978 0.125775 0.626106 Ni\n0.129180 0.374674 0.878141 Ni\n0.126637 0.623484 0.124138 Ni\n0.379275 0.373880 0.628870 Ni\n0.375543 0.624955 0.372890 Ni\n0.369868 0.874345 0.118747 Ni\n0.630155 0.374341 0.380139 Ni\n0.623951 0.124782 0.125479 Ni\n0.619077 0.875701 0.870283 Ni\n0.875503 0.126753 0.378150 Ni\n0.869543 0.877312 0.621524 Ni\n0.876034 0.624669 0.876145 Ni\n0.107502 0.111092 0.392487 O\n0.100761 0.877955 0.609435 O\n0.122756 0.603716 0.892874 O\n0.138215 0.142829 0.859518 O\n0.118219 0.389981 0.113400 O\n0.147225 0.374917 0.644287 O\n0.131453 0.643780 0.355593 O\n0.136417 0.857021 0.131381 O\n0.366222 0.144940 0.636861 O\n0.364164 0.359156 0.863132 O\n0.358742 0.642625 0.129980 O\n0.394613 0.605524 0.618006 O\n0.355997 0.873163 0.351354 O\n0.398160 0.376035 0.395545 O\n0.376608 0.102919 0.108680 O\n0.385930 0.888222 0.882566 O\n0.614483 0.388491 0.616606 O\n0.621721 0.603803 0.393679 O\n0.602560 0.876499 0.103215 O\n0.646357 0.372603 0.147678 O\n0.608377 0.106678 0.887720 O\n0.642684 0.142850 0.363702 O\n0.633672 0.862474 0.634427 O\n0.627205 0.645597 0.853915 O\n0.863565 0.358784 0.370460 O\n0.871745 0.143093 0.146034 O\n0.851589 0.873179 0.854521 O\n0.883537 0.894457 0.387257 O\n0.854283 0.647645 0.625321 O\n0.880537 0.107850 0.611942 O\n0.897624 0.376671 0.894515 O\n0.896903 0.605952 0.124265 O\n",
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},
{
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"structure_string": "Li4 V4 P8 O28\n1.0\n-6.535786 0.007766 0.031832\n-1.959967 -0.001160 8.861817\n-0.009907 8.404528 -0.003271\nLi V P O\n4 4 8 28\ndirect\n0.983330 0.492550 0.698105 Li\n0.483973 0.492552 0.198020 Li\n0.982188 0.992474 0.300775 Li\n0.482776 0.991240 0.801599 Li\n0.501346 0.002531 0.177404 V\n0.000884 0.502792 0.322787 V\n0.002022 0.003183 0.676801 V\n0.501623 0.502418 0.822636 V\n0.285762 0.702897 0.502962 P\n0.786183 0.702866 0.003147 P\n0.285485 0.203597 0.496993 P\n0.786750 0.203512 0.997087 P\n0.719946 0.799424 0.492860 P\n0.220788 0.798965 0.992821 P\n0.720673 0.298963 0.506879 P\n0.221518 0.298926 0.007663 P\n0.306640 0.608483 0.655575 O\n0.805412 0.608867 0.156097 O\n0.305626 0.109104 0.344258 O\n0.807880 0.109827 0.843816 O\n0.253968 0.609391 0.356222 O\n0.755400 0.608944 0.856446 O\n0.254243 0.110025 0.644069 O\n0.754916 0.109078 0.143224 O\n0.118438 0.851232 0.511359 O\n0.619406 0.851459 0.010233 O\n0.119013 0.352301 0.490280 O\n0.619799 0.351893 0.990028 O\n0.995764 0.758738 0.980970 O\n0.494539 0.759475 0.479016 O\n0.995910 0.259591 0.020439 O\n0.495204 0.259367 0.518794 O\n0.871112 0.643244 0.501007 O\n0.372420 0.643030 0.000836 O\n0.872255 0.143058 0.498600 O\n0.372586 0.142803 0.999230 O\n0.728809 0.887708 0.338056 O\n0.228985 0.887109 0.838004 O\n0.728405 0.387104 0.661826 O\n0.229457 0.387207 0.162481 O\n0.730193 0.893217 0.643524 O\n0.231974 0.893044 0.143281 O\n0.732846 0.393012 0.356575 O\n0.233553 0.392803 0.857217 O\n",
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{
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"structure_string": "Na4 Ti4 P8 O28\n1.0\n8.036569 0.000000 0.000000\n0.000000 7.479749 0.000000\n0.000000 3.636885 9.152186\nNa Ti P O\n4 4 8 28\ndirect\n0.977560 0.715586 0.790032 Na\n0.477560 0.284414 0.709968 Na\n0.022440 0.284414 0.209968 Na\n0.522440 0.715586 0.290032 Na\n0.509413 0.739034 0.749504 Ti\n0.009413 0.260966 0.750496 Ti\n0.490587 0.260966 0.250496 Ti\n0.990587 0.739034 0.249504 Ti\n0.713089 0.327873 0.953496 P\n0.213089 0.672127 0.546504 P\n0.286911 0.672127 0.046504 P\n0.786911 0.327873 0.453496 P\n0.756158 0.929395 0.954348 P\n0.256158 0.070605 0.545652 P\n0.243842 0.070605 0.045652 P\n0.743842 0.929395 0.454348 P\n0.657381 0.126480 0.937766 O\n0.157381 0.873520 0.562234 O\n0.342619 0.873520 0.062234 O\n0.842619 0.126480 0.437766 O\n0.393114 0.630534 0.602543 O\n0.893114 0.369466 0.897457 O\n0.606886 0.369466 0.397457 O\n0.106886 0.630534 0.102543 O\n0.714628 0.818072 0.617565 O\n0.214628 0.181928 0.882435 O\n0.285372 0.181928 0.382435 O\n0.785372 0.818072 0.117565 O\n0.417503 0.011550 0.635431 O\n0.917503 0.988450 0.864569 O\n0.582497 0.988450 0.364569 O\n0.082497 0.011550 0.135431 O\n0.913261 0.466054 0.351163 O\n0.413261 0.533946 0.148837 O\n0.086739 0.533946 0.648837 O\n0.586739 0.466054 0.851163 O\n0.200255 0.692695 0.386669 O\n0.700255 0.307305 0.113331 O\n0.799745 0.307305 0.613331 O\n0.299745 0.692695 0.886669 O\n0.862865 0.824167 0.391189 O\n0.362865 0.175833 0.108811 O\n0.137135 0.175833 0.608811 O\n0.637135 0.824167 0.891189 O\n",
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},
{
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"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002211,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.974000Z",
"spacegroup": 1
}
]
}