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{
"id": "mp-32028",
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"structure_string": "Mn2 P8 O24\n1.0\n13.547786 0.000000 0.000000\n0.000000 5.086812 0.000000\n0.000000 1.133019 7.092522\nMn P O\n2 8 24\ndirect\n0.736018 0.508359 0.491426 Mn\n0.236018 0.491641 0.508574 Mn\n0.170628 0.145702 0.907482 P\n0.324291 0.773782 0.114130 P\n0.670628 0.854298 0.092518 P\n0.874441 0.996733 0.547011 P\n0.374441 0.003267 0.452989 P\n0.097263 0.981115 0.556836 P\n0.597263 0.018885 0.443164 P\n0.824291 0.226218 0.885870 P\n0.663822 0.805398 0.548384 O\n0.115705 0.197017 0.073149 O\n0.603500 0.025577 0.223144 O\n0.814645 0.218777 0.432245 O\n0.711281 0.612112 0.227014 O\n0.763843 0.050778 0.051391 O\n0.103500 0.974423 0.776856 O\n0.858091 0.723545 0.490899 O\n0.358091 0.276455 0.509101 O\n0.615705 0.802983 0.926851 O\n0.487197 0.927463 0.498132 O\n0.612636 0.292656 0.497170 O\n0.263843 0.949222 0.948609 O\n0.748130 0.388418 0.755755 O\n0.112636 0.707344 0.502830 O\n0.314645 0.781223 0.567755 O\n0.163822 0.194602 0.451616 O\n0.211281 0.387888 0.772986 O\n0.861588 0.989329 0.765112 O\n0.248130 0.611582 0.244245 O\n0.361588 0.010671 0.234888 O\n0.987197 0.072537 0.501868 O\n0.406684 0.637496 0.038506 O\n0.906684 0.362504 0.961494 O\n",
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{
"id": "mp-767535",
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"structure_string": "Na2 Hf2 P2 C2 O14\n1.0\n6.655543 0.000000 0.000000\n0.000000 5.555237 0.000000\n0.000000 0.380584 9.300247\nNa Hf P C O\n2 2 2 2 14\ndirect\n0.506383 0.759194 0.796399 Na\n0.006383 0.240806 0.203601 Na\n0.233312 0.209097 0.657432 Hf\n0.733312 0.790903 0.342568 Hf\n0.740037 0.275578 0.561235 P\n0.240037 0.724422 0.438765 P\n0.265737 0.276660 0.926307 C\n0.765737 0.723340 0.073693 C\n0.753207 0.687151 0.944321 O\n0.263364 0.059481 0.867932 O\n0.275975 0.452085 0.822151 O\n0.926296 0.220698 0.655741 O\n0.550080 0.199709 0.644871 O\n0.256048 0.867913 0.578626 O\n0.731710 0.548548 0.517671 O\n0.231710 0.451452 0.482329 O\n0.756048 0.132087 0.421374 O\n0.050080 0.800291 0.355129 O\n0.426296 0.779302 0.344259 O\n0.775975 0.547915 0.177849 O\n0.763364 0.940519 0.132068 O\n0.253207 0.312849 0.055679 O\n",
"nsites": 22,
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"formula_full": "Na2 Hf2 P2 C2 O14",
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"updated_at": "2021-11-28T01:36:42.289000Z",
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{
"id": "mp-771197",
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"structure_string": "Li8 Co14 O32\n1.0\n8.105795 0.000000 0.000000\n0.000000 8.045087 0.000000\n0.000000 0.051169 8.097023\nLi Co O\n8 14 32\ndirect\n0.498121 0.254472 0.500878 Li\n0.251999 0.000476 0.250598 Li\n0.751999 0.999524 0.749402 Li\n0.998121 0.745528 0.499122 Li\n0.372630 0.620987 0.376213 Li\n0.748075 0.496668 0.255038 Li\n0.248075 0.503332 0.744962 Li\n0.872630 0.379013 0.623787 Li\n0.876734 0.123020 0.375009 Co\n0.126943 0.127393 0.619587 Co\n0.379048 0.129439 0.876358 Co\n0.879048 0.870561 0.123642 Co\n0.626943 0.872607 0.380413 Co\n0.376734 0.876980 0.624991 Co\n0.499353 0.754678 0.007324 Co\n0.118086 0.627445 0.120501 Co\n0.874656 0.627476 0.882665 Co\n0.630255 0.627692 0.631986 Co\n0.130255 0.372308 0.368014 Co\n0.374656 0.372524 0.117335 Co\n0.618086 0.372555 0.879499 Co\n0.999353 0.245322 0.992676 Co\n0.362465 0.149096 0.095583 O\n0.599584 0.151484 0.863583 O\n0.113086 0.136021 0.385834 O\n0.903820 0.112746 0.600882 O\n0.140680 0.137515 0.855011 O\n0.361231 0.111706 0.642378 O\n0.890600 0.105088 0.140743 O\n0.656552 0.100985 0.386314 O\n0.156552 0.899015 0.613686 O\n0.390600 0.894912 0.859257 O\n0.861231 0.888294 0.357622 O\n0.640680 0.862485 0.144989 O\n0.403820 0.887254 0.399118 O\n0.613086 0.863979 0.614166 O\n0.099584 0.848516 0.136417 O\n0.862465 0.850904 0.904417 O\n0.630615 0.648795 0.401014 O\n0.395748 0.654141 0.629727 O\n0.886846 0.635196 0.116172 O\n0.093928 0.615281 0.897497 O\n0.853638 0.632733 0.651904 O\n0.636030 0.612497 0.870455 O\n0.120028 0.595450 0.351438 O\n0.354090 0.613428 0.117312 O\n0.854090 0.386572 0.882688 O\n0.620028 0.404550 0.648562 O\n0.136030 0.387503 0.129545 O\n0.353638 0.367267 0.348096 O\n0.593928 0.384719 0.102503 O\n0.386846 0.364804 0.883828 O\n0.895748 0.345859 0.370273 O\n0.130615 0.351205 0.598986 O\n",
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"formula_full": "Li8 Co14 O32",
"formula_reduced": "Li4Co7O16",
"formula_anonymous": "A4B7C16",
"energy": -347.08015692,
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{
"id": "mp-755248",
"created_at": "2022-09-04T14:44:20.723914Z",
"structure_string": "Mn8 O14 F2\n1.0\n4.962709 0.000000 0.000000\n0.000000 7.000102 0.000000\n0.000000 1.463076 7.028165\nMn O F\n8 14 2\ndirect\n0.264342 0.824038 0.064016 Mn\n0.745716 0.171857 0.412872 Mn\n0.261941 0.324069 0.069871 Mn\n0.728526 0.672341 0.432919 Mn\n0.245716 0.828143 0.587128 Mn\n0.764342 0.175962 0.935984 Mn\n0.761941 0.675931 0.930129 Mn\n0.228526 0.327659 0.567081 Mn\n0.935592 0.190251 0.165939 O\n0.434945 0.076721 0.064989 O\n0.089672 0.577760 0.061371 O\n0.066471 0.078845 0.558034 O\n0.583687 0.690704 0.171130 O\n0.566471 0.921155 0.441966 O\n0.914067 0.690118 0.671754 O\n0.405890 0.577121 0.559634 O\n0.934945 0.923279 0.935011 O\n0.435592 0.809749 0.834061 O\n0.414067 0.309882 0.328246 O\n0.905890 0.422879 0.440366 O\n0.083687 0.309296 0.828870 O\n0.589672 0.422240 0.938629 O\n0.569151 0.190010 0.683519 F\n0.069151 0.809990 0.316481 F\n",
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"formula_full": "Mn8 O14 F2",
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{
"id": "mp-26135",
"created_at": "2022-09-04T14:44:21.564138Z",
"structure_string": "Li6 Co6 P8 O32\n1.0\n7.878416 0.000000 0.000000\n0.000000 8.848229 0.000000\n0.000000 3.687036 8.554402\nLi Co P O\n6 6 8 32\ndirect\n0.367010 0.593727 0.738892 Li\n0.867010 0.406273 0.261108 Li\n0.140002 0.103512 0.741421 Li\n0.640002 0.896488 0.258579 Li\n0.139490 0.593575 0.244489 Li\n0.639490 0.406425 0.755511 Li\n0.353561 0.107610 0.240661 Co\n0.008820 0.486687 0.738303 Co\n0.853561 0.892390 0.759339 Co\n0.508820 0.513313 0.261697 Co\n0.994198 0.995864 0.249322 Co\n0.494198 0.004136 0.750678 Co\n0.680789 0.634307 0.930753 P\n0.180789 0.365693 0.069247 P\n0.690167 0.137141 0.416550 P\n0.303901 0.870275 0.079901 P\n0.319578 0.361055 0.577185 P\n0.819578 0.638945 0.422815 P\n0.803901 0.129725 0.920099 P\n0.190167 0.862859 0.583450 P\n0.365106 0.691543 0.115692 O\n0.646673 0.315807 0.389529 O\n0.063490 0.450813 0.138047 O\n0.058485 0.947540 0.650032 O\n0.558485 0.052460 0.349968 O\n0.864883 0.822463 0.390560 O\n0.189845 0.967020 0.399546 O\n0.306222 0.965904 0.898873 O\n0.365042 0.339386 0.145777 O\n0.145261 0.171538 0.119470 O\n0.123169 0.858336 0.150793 O\n0.925700 0.044010 0.844915 O\n0.367758 0.861310 0.655670 O\n0.867758 0.138690 0.344330 O\n0.146673 0.684193 0.610471 O\n0.191739 0.446432 0.889818 O\n0.689845 0.032980 0.600454 O\n0.865106 0.308457 0.884308 O\n0.623169 0.141664 0.849207 O\n0.938952 0.552921 0.354985 O\n0.806222 0.034096 0.101127 O\n0.815835 0.547955 0.607196 O\n0.865042 0.660614 0.854223 O\n0.645261 0.828462 0.880530 O\n0.425700 0.955990 0.155085 O\n0.134326 0.351338 0.637185 O\n0.634326 0.648662 0.362815 O\n0.364883 0.177537 0.609440 O\n0.691739 0.553568 0.110182 O\n0.438952 0.447079 0.645015 O\n0.563490 0.549187 0.861953 O\n0.315835 0.452045 0.392804 O\n",
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{
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"nsites": 32,
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{
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"structure_string": "Ca6 U2 O12\n1.0\n5.982329 0.000000 0.000000\n0.000000 5.761539 0.000000\n0.000000 0.066045 8.377555\nCa U O\n6 2 12\ndirect\n0.521930 0.249972 0.250253 Ca\n0.021930 0.750028 0.749747 Ca\n0.072236 0.258577 0.006376 Ca\n0.572236 0.741423 0.993624 Ca\n0.468212 0.767748 0.508238 Ca\n0.968212 0.232252 0.491762 Ca\n0.523292 0.255711 0.748539 U\n0.023292 0.744289 0.251461 U\n0.088780 0.618910 0.483203 O\n0.588780 0.381090 0.516797 O\n0.351102 0.556200 0.803093 O\n0.851102 0.443800 0.196907 O\n0.234202 0.079758 0.672215 O\n0.734202 0.920242 0.327785 O\n0.453831 0.127039 0.981618 O\n0.953831 0.872961 0.018382 O\n0.203453 0.037877 0.310025 O\n0.703453 0.962123 0.689975 O\n0.312062 0.575020 0.170723 O\n0.812062 0.424980 0.829277 O\n",
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{
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