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{
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{
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},
{
"id": "mp-887374",
"created_at": "2022-09-04T14:41:25.378321Z",
"structure_string": "Li12 Mn2 V6 P12 O48\n1.0\n8.611413 0.000000 0.000000\n-0.673309 8.625282 0.000000\n-3.539628 -3.758637 11.623123\nLi Mn V P O\n12 2 6 12 48\ndirect\n0.995053 0.006210 0.126547 Li\n0.991983 0.004973 0.624620 Li\n0.713994 0.289554 0.376490 Li\n0.500374 0.500776 0.251243 Li\n0.712008 0.287399 0.874464 Li\n0.500000 0.500000 0.500000 Li\n0.287992 0.712601 0.125536 Li\n0.499626 0.499224 0.748757 Li\n0.500000 0.500000 0.000000 Li\n0.286006 0.710446 0.623510 Li\n0.008017 0.995027 0.375380 Li\n0.004947 0.993790 0.873453 Li\n0.942014 0.625204 0.682851 Mn\n0.057986 0.374796 0.317149 Mn\n0.942263 0.622146 0.180836 V\n0.620277 0.942904 0.430351 V\n0.380342 0.057042 0.070726 V\n0.619658 0.942958 0.929274 V\n0.379723 0.057096 0.569649 V\n0.057737 0.377854 0.819164 V\n0.715619 0.287295 0.125082 P\n0.860806 0.663415 0.433034 P\n0.661451 0.862899 0.181818 P\n0.715950 0.287723 0.625208 P\n0.862851 0.661252 0.931002 P\n0.661382 0.866701 0.682523 P\n0.338618 0.133299 0.317477 P\n0.137149 0.338748 0.068998 P\n0.284050 0.712277 0.374792 P\n0.338549 0.137101 0.818182 P\n0.139194 0.336585 0.566966 P\n0.284381 0.712705 0.874918 P\n0.989096 0.659946 0.044805 O\n0.946011 0.611755 0.337679 O\n0.743736 0.171303 0.017850 O\n0.986607 0.661610 0.548223 O\n0.830472 0.263635 0.236797 O\n0.845005 0.842869 0.195247 O\n0.735854 0.461665 0.113585 O\n0.840395 0.847063 0.450057 O\n0.950286 0.598976 0.835293 O\n0.742439 0.172630 0.516644 O\n0.828426 0.258074 0.734400 O\n0.846025 0.854828 0.698152 O\n0.702370 0.544301 0.398472 O\n0.600891 0.949811 0.086531 O\n0.661367 0.987592 0.295769 O\n0.540209 0.262346 0.135554 O\n0.740957 0.463498 0.615533 O\n0.543673 0.704061 0.147583 O\n0.843045 0.843744 0.944399 O\n0.702934 0.544748 0.896993 O\n0.597735 0.951624 0.586569 O\n0.453266 0.293809 0.351138 O\n0.656968 0.990395 0.796250 O\n0.539132 0.265774 0.633998 O\n0.460868 0.734226 0.366002 O\n0.343032 0.009605 0.203750 O\n0.546734 0.706191 0.648862 O\n0.402265 0.048376 0.413431 O\n0.297066 0.455252 0.103007 O\n0.156955 0.156256 0.055601 O\n0.456327 0.295939 0.852417 O\n0.259043 0.536502 0.384467 O\n0.459791 0.737654 0.864446 O\n0.338633 0.012408 0.704231 O\n0.399109 0.050189 0.913469 O\n0.297630 0.455699 0.601528 O\n0.153975 0.145172 0.301848 O\n0.171574 0.741926 0.265600 O\n0.257561 0.827370 0.483356 O\n0.049714 0.401024 0.164707 O\n0.159605 0.152937 0.549943 O\n0.264146 0.538335 0.886415 O\n0.154995 0.157131 0.804753 O\n0.169528 0.736365 0.763203 O\n0.013393 0.338390 0.451777 O\n0.256264 0.828697 0.982150 O\n0.053989 0.388245 0.662321 O\n0.010904 0.340054 0.955195 O\n",
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"density": 3.1515046088032124,
"density_atomic": 0.09266578986381221,
"volume": 863.3175211431673,
"volume_molar": 6.498774541123038,
"formula_full": "Li12 Mn2 V6 P12 O48",
"formula_reduced": "Li6MnV3(PO4)6",
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"energy": -610.2561102699999,
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"spacegroup": 2
},
{
"id": "mp-1522321",
"created_at": "2022-09-04T14:41:27.900631Z",
"structure_string": "K4 Sr4 Ce4 Sb4 O24\n1.0\n8.476302 0.000000 0.000000\n0.000000 8.446450 0.000000\n0.000000 0.000000 8.438187\nK Sr Ce Sb O\n4 4 4 4 24\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.000000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.750000 0.750000 0.750000 Ce\n0.250000 0.250000 0.750000 Ce\n0.250000 0.750000 0.250000 Ce\n0.750000 0.250000 0.250000 Ce\n0.250000 0.250000 0.250000 Sb\n0.750000 0.750000 0.250000 Sb\n0.750000 0.250000 0.750000 Sb\n0.250000 0.750000 0.750000 Sb\n0.013003 0.224814 0.263341 O\n0.986997 0.775186 0.263341 O\n0.986997 0.224814 0.736659 O\n0.013003 0.775186 0.736659 O\n0.253018 0.012181 0.235833 O\n0.253018 0.987819 0.764167 O\n0.746982 0.987819 0.235833 O\n0.746982 0.012181 0.764167 O\n0.236947 0.262075 0.012699 O\n0.763053 0.262075 0.987301 O\n0.236947 0.737925 0.987301 O\n0.763053 0.737925 0.012699 O\n0.486997 0.275186 0.236659 O\n0.513003 0.724814 0.236659 O\n0.513003 0.275186 0.763341 O\n0.486997 0.724814 0.763341 O\n0.246982 0.487819 0.264167 O\n0.246982 0.512181 0.735833 O\n0.753018 0.512181 0.264167 O\n0.753018 0.487819 0.735833 O\n0.263053 0.237925 0.487301 O\n0.736947 0.237925 0.512699 O\n0.263053 0.762075 0.512699 O\n0.736947 0.762075 0.487301 O\n",
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{
"id": "mp-1228132",
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"structure_string": "Ba6 Nd2 Y1 Mo3 O18\n1.0\n4.329001 9.551604 0.000000\n-4.329001 9.551604 0.000000\n0.000000 1.923614 5.779082\nBa Nd Y Mo O\n6 2 1 3 18\ndirect\n0.916358 0.415743 0.334074 Ba\n0.250205 0.749795 0.000000 Ba\n0.584257 0.083642 0.665926 Ba\n0.749795 0.250205 0.000000 Ba\n0.083642 0.584257 0.665926 Ba\n0.415743 0.916358 0.334074 Ba\n0.166681 0.166681 0.833444 Nd\n0.833319 0.833319 0.166556 Nd\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.500000 Mo\n0.334982 0.334982 0.164155 Mo\n0.665018 0.665018 0.835845 Mo\n0.899643 0.431968 0.833591 O\n0.231219 0.768781 0.500000 O\n0.568032 0.100357 0.166409 O\n0.768781 0.231219 0.500000 O\n0.100357 0.568032 0.166409 O\n0.431968 0.899643 0.833591 O\n0.751442 0.751442 0.547082 O\n0.422440 0.422440 0.867828 O\n0.089929 0.089929 0.212262 O\n0.910071 0.910071 0.787738 O\n0.577560 0.577560 0.132172 O\n0.248558 0.248558 0.452918 O\n0.067077 0.067077 0.698407 O\n0.729613 0.729613 0.033062 O\n0.402412 0.402412 0.362848 O\n0.932923 0.932923 0.301593 O\n0.597588 0.597588 0.637152 O\n0.270387 0.270387 0.966938 O\n",
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{
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"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 8.0000003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.177000Z",
"spacegroup": 216
}
]
}