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{
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{
"id": "mp-769484",
"created_at": "2022-09-04T14:46:22.850638Z",
"structure_string": "Na4 Mn4 P4 C4 O28\n1.0\n8.133855 0.000000 0.000000\n-1.473953 8.024055 0.000000\n-0.403488 -0.116794 9.104706\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.396200 0.850116 0.755234 Na\n0.102472 0.143306 0.754593 Na\n0.894974 0.866178 0.238916 Na\n0.394350 0.365353 0.237765 Na\n0.522890 0.272513 0.660009 Mn\n0.011057 0.760945 0.656032 Mn\n0.476698 0.738095 0.342886 Mn\n0.975322 0.240190 0.342158 Mn\n0.732864 0.985880 0.566102 P\n0.234905 0.483654 0.566461 P\n0.760680 0.516240 0.433398 P\n0.264852 0.020886 0.434440 P\n0.993784 0.736110 0.920587 C\n0.492028 0.234557 0.922203 C\n0.512328 0.759106 0.080522 C\n0.007530 0.263442 0.079092 C\n0.534445 0.768429 0.948177 O\n0.026338 0.275119 0.946539 O\n0.605012 0.345393 0.861384 O\n0.106453 0.847055 0.853676 O\n0.898319 0.640343 0.821497 O\n0.397653 0.139928 0.817357 O\n0.867823 0.924601 0.668375 O\n0.358621 0.415482 0.674512 O\n0.667749 0.109860 0.667510 O\n0.177130 0.619551 0.661218 O\n0.586788 0.838936 0.524850 O\n0.688285 0.439328 0.574215 O\n0.191531 0.944481 0.578080 O\n0.086845 0.338931 0.524682 O\n0.902718 0.667881 0.473437 O\n0.809415 0.061247 0.424866 O\n0.315368 0.555141 0.425502 O\n0.406452 0.171467 0.474975 O\n0.824413 0.391601 0.331251 O\n0.627811 0.578949 0.329820 O\n0.325092 0.891165 0.335497 O\n0.128682 0.080560 0.332609 O\n0.604509 0.855992 0.182965 O\n0.100931 0.359631 0.181460 O\n0.893360 0.153631 0.142761 O\n0.394786 0.652375 0.143223 O\n0.981166 0.726565 0.054460 O\n0.471473 0.217691 0.054708 O\n",
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],
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"volume_molar": 8.133069347805579,
"formula_full": "Na4 Mn4 P4 C4 O28",
"formula_reduced": "NaMnPCO7",
"formula_anonymous": "ABCDE7",
"energy": -334.65215417,
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},
{
"id": "mp-768629",
"created_at": "2022-09-04T14:40:02.707782Z",
"structure_string": "Li4 Fe4 P4 C4 O28\n1.0\n8.241255 0.000000 0.000000\n-1.739150 8.098198 0.000000\n-0.539726 -0.742477 8.440009\nLi Fe P C O\n4 4 4 4 28\ndirect\n0.743180 0.501966 0.111114 Li\n0.589516 0.128627 0.288411 Li\n0.263953 0.513340 0.890766 Li\n0.771489 0.012807 0.884389 Li\n0.469152 0.720057 0.335114 Fe\n0.978049 0.221644 0.335800 Fe\n0.026972 0.775072 0.663050 Fe\n0.520564 0.270686 0.663135 Fe\n0.755468 0.506459 0.422326 P\n0.254384 0.998441 0.423127 P\n0.736067 0.993900 0.575294 P\n0.241272 0.488464 0.577936 P\n0.526296 0.784011 0.048891 C\n0.026025 0.274866 0.048825 C\n0.970301 0.724096 0.945975 C\n0.493628 0.230732 0.960934 C\n0.413658 0.654215 0.068722 O\n0.902449 0.155238 0.071885 O\n0.934748 0.687366 0.081945 O\n0.594860 0.872130 0.180601 O\n0.476275 0.190206 0.100181 O\n0.109802 0.352152 0.178248 O\n0.635017 0.575852 0.309999 O\n0.804896 0.371220 0.307196 O\n0.306247 0.864088 0.313977 O\n0.118817 0.060850 0.327004 O\n0.908578 0.645505 0.478722 O\n0.792732 0.076090 0.423421 O\n0.319475 0.554770 0.430034 O\n0.413242 0.141296 0.466187 O\n0.589328 0.847216 0.521084 O\n0.674988 0.432012 0.566080 O\n0.193764 0.934952 0.579708 O\n0.088362 0.347910 0.521502 O\n0.872324 0.936783 0.675974 O\n0.186322 0.619048 0.689808 O\n0.678541 0.119415 0.692992 O\n0.362917 0.419621 0.689091 O\n0.885989 0.640606 0.819419 O\n0.577068 0.827493 0.918866 O\n0.399402 0.147808 0.841589 O\n0.066925 0.321373 0.916901 O\n0.605583 0.355482 0.927460 O\n0.088142 0.842885 0.910503 O\n",
"nsites": 44,
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"elements": [
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"P",
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],
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"density": 2.5678818179124714,
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"volume": 563.2804172154885,
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"formula_full": "Li4 Fe4 P4 C4 O28",
"formula_reduced": "LiFePCO7",
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},
{
"id": "mp-756880",
"created_at": "2022-09-04T14:39:18.010153Z",
"structure_string": "K2 Ce2 P2 C2 O14\n1.0\n7.092321 0.000000 0.000000\n0.000000 5.818369 0.000000\n0.000000 0.086244 10.193922\nK Ce P C O\n2 2 2 2 14\ndirect\n0.543098 0.750984 0.781193 K\n0.043098 0.249016 0.218807 K\n0.225037 0.218664 0.650258 Ce\n0.725037 0.781336 0.349742 Ce\n0.732778 0.281243 0.564641 P\n0.232778 0.718757 0.435359 P\n0.267599 0.274428 0.915888 C\n0.767599 0.725572 0.084112 C\n0.776849 0.694191 0.964630 O\n0.261578 0.069253 0.858256 O\n0.260927 0.446279 0.826541 O\n0.908980 0.230189 0.650228 O\n0.552409 0.217398 0.642588 O\n0.245600 0.863248 0.563530 O\n0.727296 0.541874 0.527217 O\n0.227296 0.458126 0.472783 O\n0.745600 0.136752 0.436470 O\n0.052409 0.782602 0.357412 O\n0.408980 0.769811 0.349772 O\n0.760927 0.553721 0.173459 O\n0.761578 0.930747 0.141744 O\n0.276849 0.305809 0.035370 O\n",
"nsites": 22,
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"elements": [
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"C",
"O"
],
"chemical_system": "C-Ce-K-O-P",
"density": 2.6384418161674676,
"density_atomic": 0.052298800752100805,
"volume": 420.65974140174285,
"volume_molar": 11.514873521756794,
"formula_full": "K2 Ce2 P2 C2 O14",
"formula_reduced": "KCePCO7",
"formula_anonymous": "ABCDE7",
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"updated_at": "2021-11-28T01:34:37.683000Z",
"spacegroup": 4
},
{
"id": "mp-770237",
"created_at": "2022-09-04T14:40:25.452681Z",
"structure_string": "Li4 Mn4 P4 C4 O28\n1.0\n6.232254 0.000000 0.000000\n0.000000 8.373659 0.000000\n0.000000 0.748157 10.202424\nLi Mn P C O\n4 4 4 4 28\ndirect\n0.530570 0.743300 0.876525 Li\n0.969430 0.743300 0.376525 Li\n0.030570 0.256700 0.623475 Li\n0.469430 0.256700 0.123475 Li\n0.252270 0.670044 0.602909 Mn\n0.247730 0.670044 0.102909 Mn\n0.752270 0.329956 0.897091 Mn\n0.747730 0.329956 0.397091 Mn\n0.753192 0.573799 0.637839 P\n0.746808 0.573799 0.137839 P\n0.253192 0.426201 0.862161 P\n0.246808 0.426201 0.362161 P\n0.250486 0.949378 0.644927 C\n0.249514 0.949378 0.144927 C\n0.750487 0.050622 0.855073 C\n0.749514 0.050622 0.355073 C\n0.243561 0.894796 0.527478 O\n0.735645 0.909458 0.830543 O\n0.256439 0.894796 0.027478 O\n0.272457 0.827792 0.735381 O\n0.764355 0.909458 0.330543 O\n0.227543 0.827792 0.235381 O\n0.942329 0.687988 0.597764 O\n0.556037 0.672329 0.590897 O\n0.943963 0.672329 0.090897 O\n0.557671 0.687988 0.097764 O\n0.277297 0.585356 0.928440 O\n0.740831 0.534471 0.789025 O\n0.222703 0.585356 0.428440 O\n0.759169 0.534471 0.289025 O\n0.240831 0.465529 0.710975 O\n0.777297 0.414644 0.571560 O\n0.259169 0.465529 0.210975 O\n0.722703 0.414644 0.071560 O\n0.056037 0.327671 0.909103 O\n0.442329 0.312012 0.902236 O\n0.443963 0.327671 0.409103 O\n0.057671 0.312012 0.402236 O\n0.772457 0.172208 0.764619 O\n0.235645 0.090542 0.669457 O\n0.727543 0.172208 0.264619 O\n0.743561 0.105204 0.972522 O\n0.264355 0.090542 0.169457 O\n0.756439 0.105204 0.472522 O\n",
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"density": 2.7053494439087684,
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"volume": 532.4315526633261,
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"formula_full": "Li4 Mn4 P4 C4 O28",
"formula_reduced": "LiMnPCO7",
"formula_anonymous": "ABCDE7",
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"updated_at": "2021-11-28T01:34:48.300000Z",
"spacegroup": 14
},
{
"id": "mp-756295",
"created_at": "2022-09-04T14:40:24.618784Z",
"structure_string": "Li4 V4 As4 C4 O28\n1.0\n0.250783 6.429424 5.504417\n0.249376 -6.430162 5.505452\n8.672941 0.001361 -5.445789\nLi V As C O\n4 4 4 4 28\ndirect\n0.497078 0.917088 0.167080 Li\n0.997117 0.417095 0.167156 Li\n0.832782 0.752793 0.832778 Li\n0.332792 0.252848 0.832840 Li\n0.427715 0.692180 0.326143 V\n0.057803 0.822436 0.673885 V\n0.927595 0.192085 0.326083 V\n0.557781 0.322472 0.673891 V\n0.694272 0.460928 0.442581 As\n0.194266 0.960939 0.442609 As\n0.789069 0.055803 0.557427 As\n0.289040 0.555767 0.557419 As\n0.775863 0.016580 0.059003 C\n0.275860 0.516635 0.059069 C\n0.733411 0.474108 0.940973 C\n0.233392 0.974126 0.940948 C\n0.338932 0.027891 0.071647 O\n0.838945 0.527857 0.071670 O\n0.222053 0.411074 0.928347 O\n0.722073 0.911059 0.928290 O\n0.900833 0.167497 0.120163 O\n0.400840 0.667552 0.120199 O\n0.582431 0.349223 0.879836 O\n0.082413 0.849243 0.879818 O\n0.725662 0.993240 0.164588 O\n0.225682 0.493331 0.164673 O\n0.756775 0.524278 0.835391 O\n0.256764 0.024275 0.835344 O\n0.573691 0.549762 0.329523 O\n0.073672 0.049714 0.329507 O\n0.699983 0.176188 0.670399 O\n0.199966 0.676199 0.670384 O\n0.779709 0.341627 0.327397 O\n0.279742 0.841689 0.327414 O\n0.908502 0.970574 0.672704 O\n0.408499 0.470575 0.672716 O\n0.625874 0.904302 0.395541 O\n0.125849 0.404236 0.395534 O\n0.845481 0.624445 0.604462 O\n0.345490 0.124462 0.604481 O\n0.557937 0.327929 0.480626 O\n0.057918 0.827901 0.480604 O\n0.922088 0.192153 0.519418 O\n0.422056 0.692143 0.519440 O\n",
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"formula_full": "Li4 V4 As4 C4 O28",
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{
"id": "mp-768996",
"created_at": "2022-09-04T14:43:39.584066Z",
"structure_string": "Na2 Bi2 As2 C2 O14\n1.0\n7.212784 0.000000 0.000000\n0.000000 5.630775 0.000000\n0.000000 0.105111 9.724173\nNa Bi As C O\n2 2 2 2 14\ndirect\n0.509376 0.767899 0.789175 Na\n0.009376 0.232101 0.210825 Na\n0.235040 0.210861 0.644506 Bi\n0.735040 0.789139 0.355494 Bi\n0.741983 0.280675 0.579878 As\n0.241983 0.719325 0.420122 As\n0.264729 0.277615 0.928328 C\n0.764729 0.722385 0.071672 C\n0.740813 0.693977 0.944329 O\n0.264666 0.065435 0.873595 O\n0.286767 0.459988 0.845007 O\n0.926384 0.194577 0.680690 O\n0.554635 0.156130 0.662794 O\n0.262989 0.821158 0.588078 O\n0.714768 0.584343 0.567474 O\n0.214768 0.415657 0.432526 O\n0.762989 0.178842 0.411922 O\n0.054635 0.843870 0.337206 O\n0.426384 0.805423 0.319310 O\n0.786767 0.540012 0.154993 O\n0.764666 0.934565 0.126405 O\n0.240813 0.306023 0.055671 O\n",
"nsites": 22,
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"volume": 394.9333208061246,
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"formula_full": "Na2 Bi2 As2 C2 O14",
"formula_reduced": "NaBiAsCO7",
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},
{
"id": "mp-770650",
"created_at": "2022-09-04T14:43:40.566245Z",
"structure_string": "Li2 V2 Si2 C2 O14\n1.0\n6.381732 0.000000 0.000000\n0.000000 5.332744 0.000000\n0.000000 0.897573 8.635387\nLi V Si C O\n2 2 2 2 14\ndirect\n0.468977 0.778921 0.810745 Li\n0.968977 0.221079 0.189255 Li\n0.247885 0.195359 0.660924 V\n0.747885 0.804641 0.339076 V\n0.751187 0.263155 0.564859 Si\n0.251187 0.736845 0.435141 Si\n0.252003 0.277344 0.934222 C\n0.752003 0.722656 0.065778 C\n0.717576 0.684877 0.929995 O\n0.253775 0.050409 0.880879 O\n0.280867 0.453997 0.817082 O\n0.963862 0.199520 0.666929 O\n0.549805 0.174827 0.668136 O\n0.261524 0.882544 0.593378 O\n0.754691 0.567152 0.503302 O\n0.254691 0.432848 0.496698 O\n0.761524 0.117456 0.406622 O\n0.049805 0.825173 0.331864 O\n0.463862 0.800480 0.333071 O\n0.780867 0.546003 0.182918 O\n0.753775 0.949591 0.119121 O\n0.217576 0.315123 0.070005 O\n",
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"formula_full": "Li2 V2 Si2 C2 O14",
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},
{
"id": "mp-768599",
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