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{
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"results": [
{
"id": "mp-773801",
"created_at": "2022-09-04T14:44:25.218274Z",
"structure_string": "Na2 Li10 Fe4 P4 C4 O28\n1.0\n5.018667 0.000000 0.000000\n-0.382278 8.615312 0.000000\n-0.000203 -0.113477 13.089546\nNa Li Fe P C O\n2 10 4 4 4 28\ndirect\n0.754376 0.913770 0.377411 Na\n0.247618 0.745747 0.999132 Na\n0.751690 0.915722 0.868392 Li\n0.239821 0.729903 0.755398 Li\n0.237503 0.733758 0.497955 Li\n0.226538 0.728003 0.261183 Li\n0.761895 0.268920 0.741162 Li\n0.771021 0.269652 0.510432 Li\n0.770762 0.265490 0.244045 Li\n0.756708 0.265801 0.004451 Li\n0.251267 0.092160 0.129605 Li\n0.249394 0.085174 0.625237 Li\n0.787468 0.651543 0.626202 Fe\n0.774145 0.647319 0.126045 Fe\n0.211975 0.346845 0.874271 Fe\n0.223901 0.349888 0.375387 Fe\n0.708330 0.582544 0.375821 P\n0.701937 0.590105 0.871896 P\n0.294362 0.409151 0.626393 P\n0.290352 0.407924 0.125863 P\n0.720198 0.957456 0.623316 C\n0.732573 0.957923 0.127595 C\n0.269879 0.049357 0.375305 C\n0.283509 0.045757 0.869741 C\n0.339042 0.901387 0.859376 O\n0.280542 0.899087 0.376511 O\n0.977336 0.915584 0.126563 O\n0.963445 0.912015 0.622703 O\n0.539597 0.852199 0.132584 O\n0.521818 0.855209 0.621197 O\n0.777746 0.690353 0.967677 O\n0.816936 0.689251 0.781136 O\n0.810271 0.675628 0.471256 O\n0.814623 0.678071 0.283756 O\n0.392735 0.572547 0.862185 O\n0.395010 0.575539 0.375037 O\n0.191104 0.575552 0.626173 O\n0.181633 0.572431 0.133463 O\n0.814210 0.425847 0.875076 O\n0.806372 0.414891 0.374593 O\n0.606140 0.421358 0.626754 O\n0.602292 0.421981 0.123501 O\n0.190715 0.310643 0.719004 O\n0.190655 0.310803 0.533335 O\n0.195740 0.303168 0.216115 O\n0.185889 0.315947 0.029978 O\n0.478808 0.150578 0.876308 O\n0.484897 0.138754 0.375449 O\n0.038056 0.087982 0.873879 O\n0.041401 0.114953 0.374129 O\n0.674524 0.103556 0.124382 O\n0.671240 0.104774 0.625645 O\n",
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"P",
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"O"
],
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"formula_full": "Na2 Li10 Fe4 P4 C4 O28",
"formula_reduced": "NaLi5Fe2P2(CO7)2",
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"updated_at": "2021-11-28T01:36:33.522000Z",
"spacegroup": 1
},
{
"id": "mp-770772",
"created_at": "2022-09-04T14:44:24.188232Z",
"structure_string": "Na2 Li4 Fe2 P2 C2 O14\n1.0\n0.228709 0.001617 5.100495\n8.594690 0.000816 0.423091\n0.000656 6.617664 0.001829\nNa Li Fe P C O\n2 4 2 2 2 14\ndirect\n0.266327 0.260875 0.007458 Na\n0.734098 0.739240 0.507295 Na\n0.783228 0.103230 0.262318 Li\n0.216645 0.896763 0.762260 Li\n0.267946 0.278483 0.478857 Li\n0.732289 0.721262 0.978081 Li\n0.211335 0.662744 0.241588 Fe\n0.788571 0.337128 0.741524 Fe\n0.725191 0.410377 0.246416 P\n0.274962 0.589701 0.746478 P\n0.688872 0.041284 0.756567 C\n0.310882 0.958708 0.256652 C\n0.388500 0.096751 0.279094 O\n0.611455 0.903200 0.779068 O\n0.935938 0.066225 0.758860 O\n0.063818 0.933930 0.258831 O\n0.514505 0.161228 0.730193 O\n0.484993 0.838660 0.230322 O\n0.792115 0.303236 0.059529 O\n0.208233 0.696814 0.559633 O\n0.846297 0.311255 0.427566 O\n0.153504 0.688755 0.927585 O\n0.420554 0.436640 0.272962 O\n0.579620 0.563431 0.772800 O\n0.161311 0.430552 0.729167 O\n0.838812 0.569530 0.228899 O\n",
"nsites": 26,
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"elements": [
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"P",
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"chemical_system": "C-Fe-Li-Na-O-P",
"density": 2.841923521976115,
"density_atomic": 0.08982264508686026,
"volume": 289.45930032295854,
"volume_molar": 6.704479426292192,
"formula_full": "Na2 Li4 Fe2 P2 C2 O14",
"formula_reduced": "NaLi2FePCO7",
"formula_anonymous": "ABCDE2F7",
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"updated_at": "2021-11-28T01:36:34.048000Z",
"spacegroup": 4
},
{
"id": "mp-1101478",
"created_at": "2022-09-04T14:44:22.860113Z",
"structure_string": "Na2 Li10 Fe4 P4 C4 O28\n1.0\n6.553809 0.000000 0.000000\n0.000000 8.555300 0.000000\n0.000000 0.971876 10.140359\nNa Li Fe P C O\n2 10 4 4 4 28\ndirect\n0.253487 0.260188 0.634043 Na\n0.746513 0.260188 0.134043 Na\n0.512808 0.098790 0.885910 Li\n0.487192 0.098790 0.385910 Li\n0.720247 0.284582 0.626737 Li\n0.279753 0.284582 0.126737 Li\n0.779009 0.718277 0.874993 Li\n0.230998 0.725414 0.871164 Li\n0.769002 0.725414 0.371164 Li\n0.220991 0.718277 0.374993 Li\n0.980636 0.906178 0.622117 Li\n0.019364 0.906178 0.122117 Li\n0.005079 0.335303 0.892644 Fe\n0.994921 0.335303 0.392644 Fe\n0.496524 0.669742 0.602671 Fe\n0.503476 0.669742 0.102671 Fe\n0.504338 0.414542 0.857005 P\n0.495662 0.414542 0.357005 P\n0.991140 0.590443 0.634574 P\n0.008860 0.590443 0.134574 P\n0.993832 0.032370 0.853983 C\n0.006168 0.032370 0.353983 C\n0.507026 0.963063 0.654958 C\n0.492974 0.963063 0.154958 C\n0.533282 0.103118 0.689969 O\n0.466718 0.103118 0.189969 O\n0.991783 0.065650 0.975162 O\n0.008217 0.065650 0.475162 O\n0.994657 0.147769 0.760626 O\n0.005343 0.147769 0.260626 O\n0.319721 0.305731 0.903103 O\n0.691950 0.314767 0.909272 O\n0.308050 0.314767 0.409272 O\n0.680279 0.305731 0.403103 O\n0.512875 0.437426 0.703585 O\n0.968438 0.427462 0.583707 O\n0.487125 0.437426 0.203585 O\n0.031562 0.427462 0.083707 O\n0.493532 0.576131 0.911201 O\n0.999961 0.571043 0.788771 O\n0.506468 0.576131 0.411201 O\n0.000039 0.571043 0.288771 O\n0.812235 0.703081 0.586584 O\n0.183609 0.680220 0.577609 O\n0.816391 0.680220 0.077609 O\n0.187765 0.703081 0.086584 O\n0.489841 0.844213 0.745385 O\n0.510159 0.844213 0.245385 O\n0.497793 0.935822 0.532175 O\n0.502207 0.935822 0.032175 O\n0.995340 0.888672 0.822052 O\n0.004660 0.888672 0.322052 O\n",
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"elements": [
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],
"chemical_system": "C-Fe-Li-Na-O-P",
"density": 2.79991731525424,
"density_atomic": 0.09145785036524806,
"volume": 568.5679227352455,
"volume_molar": 6.584607812177794,
"formula_full": "Na2 Li10 Fe4 P4 C4 O28",
"formula_reduced": "NaLi5Fe2P2(CO7)2",
"formula_anonymous": "AB2C2D2E5F14",
"energy": -373.75045578,
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"updated_at": "2021-11-28T01:36:25.508000Z",
"spacegroup": 7
},
{
"id": "mp-1198378",
"created_at": "2022-09-04T14:43:17.684293Z",
"structure_string": "Na8 Li8 Fe8 P8 O32 F8\n1.0\n6.423274 0.000000 0.000000\n0.000000 11.163425 0.000000\n0.000000 0.000000 11.562395\nNa Li Fe P O F\n8 8 8 8 32 8\ndirect\n0.005373 0.222732 0.657134 Na\n0.494627 0.722732 0.842866 Na\n0.505373 0.777268 0.342866 Na\n0.994627 0.277268 0.157134 Na\n0.994627 0.777268 0.342866 Na\n0.505373 0.277268 0.157134 Na\n0.494627 0.222732 0.657134 Na\n0.005373 0.722732 0.842866 Na\n0.250000 0.269501 0.413682 Li\n0.250000 0.769501 0.086318 Li\n0.750000 0.730499 0.586318 Li\n0.750000 0.230499 0.913682 Li\n0.250000 0.444260 0.769396 Li\n0.250000 0.944260 0.730604 Li\n0.750000 0.555740 0.230604 Li\n0.750000 0.055740 0.269396 Li\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.250000 0.041925 0.258805 P\n0.250000 0.541925 0.241195 P\n0.750000 0.958075 0.741195 P\n0.750000 0.458075 0.758805 P\n0.250000 0.246106 0.923083 P\n0.250000 0.746106 0.576917 P\n0.750000 0.753894 0.076917 P\n0.750000 0.253894 0.423083 P\n0.050512 0.180661 0.966189 O\n0.449488 0.680661 0.533811 O\n0.550512 0.819339 0.033811 O\n0.949488 0.319339 0.466189 O\n0.949488 0.819339 0.033811 O\n0.550512 0.319339 0.466189 O\n0.449488 0.180661 0.966189 O\n0.050512 0.680661 0.533811 O\n0.250000 0.263552 0.791895 O\n0.250000 0.763552 0.708105 O\n0.750000 0.736448 0.208105 O\n0.750000 0.236448 0.291895 O\n0.250000 0.180272 0.262143 O\n0.250000 0.680272 0.237857 O\n0.750000 0.819728 0.737857 O\n0.750000 0.319728 0.762143 O\n0.250000 0.373215 0.982709 O\n0.250000 0.873215 0.517291 O\n0.750000 0.626785 0.017291 O\n0.750000 0.126785 0.482709 O\n0.250000 0.493232 0.367815 O\n0.250000 0.993232 0.132185 O\n0.750000 0.506768 0.632185 O\n0.750000 0.006768 0.867815 O\n0.549315 0.006880 0.679097 O\n0.950685 0.506880 0.820903 O\n0.049315 0.993120 0.320903 O\n0.450685 0.493120 0.179097 O\n0.450685 0.993120 0.320903 O\n0.049315 0.493120 0.179097 O\n0.950685 0.006880 0.679097 O\n0.549315 0.506880 0.820903 O\n0.250000 0.130400 0.530427 F\n0.250000 0.630400 0.969573 F\n0.750000 0.869600 0.469573 F\n0.750000 0.369600 0.030427 F\n0.250000 0.437551 0.607057 F\n0.250000 0.937551 0.892943 F\n0.750000 0.562449 0.392943 F\n0.750000 0.062449 0.107057 F\n",
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],
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"formula_full": "Na8 Li8 Fe8 P8 O32 F8",
"formula_reduced": "NaLiFePO4F",
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"updated_at": "2021-11-28T01:36:16.378000Z",
"spacegroup": 62
},
{
"id": "mp-1196828",
"created_at": "2022-09-04T14:42:21.229020Z",
"structure_string": "Na4 Li4 Mg4 P4 O16 F4\n1.0\n11.346737 0.000000 0.000000\n0.000000 5.082258 0.000000\n0.000000 0.002510 6.896340\nNa Li Mg P O F\n4 4 4 4 16 4\ndirect\n0.665413 0.753091 0.511399 Na\n0.165413 0.746909 0.488601 Na\n0.334587 0.246909 0.488601 Na\n0.834587 0.253091 0.511399 Na\n0.580184 0.263222 0.740257 Li\n0.080184 0.236778 0.259743 Li\n0.419816 0.736778 0.259743 Li\n0.919816 0.763222 0.740257 Li\n0.328970 0.263463 0.018398 Mg\n0.828970 0.236537 0.981602 Mg\n0.671030 0.736537 0.981602 Mg\n0.171030 0.763463 0.018398 Mg\n0.418189 0.771268 0.754304 P\n0.918189 0.728732 0.245696 P\n0.581811 0.228732 0.245696 P\n0.081811 0.271268 0.754304 P\n0.376194 0.740127 0.542171 O\n0.876194 0.759873 0.457829 O\n0.623806 0.259873 0.457829 O\n0.123806 0.240127 0.542171 O\n0.328305 0.631295 0.890882 O\n0.828305 0.868705 0.109118 O\n0.671695 0.368705 0.109118 O\n0.171695 0.131295 0.890882 O\n0.426124 0.071096 0.805233 O\n0.926124 0.428904 0.194767 O\n0.573876 0.928904 0.194767 O\n0.073876 0.571096 0.805233 O\n0.541123 0.642394 0.782834 O\n0.041123 0.857606 0.217166 O\n0.458877 0.357606 0.217166 O\n0.958877 0.142394 0.782834 O\n0.212791 0.464422 0.199264 F\n0.712791 0.035578 0.800736 F\n0.787209 0.535578 0.800736 F\n0.287209 0.964422 0.199264 F\n",
"nsites": 36,
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"elements": [
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],
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"formula_full": "Na4 Li4 Mg4 P4 O16 F4",
"formula_reduced": "NaLiMgPO4F",
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"updated_at": "2021-11-28T01:35:43.146000Z",
"spacegroup": 14
},
{
"id": "mp-759559",
"created_at": "2022-09-04T14:47:39.271030Z",
"structure_string": "Na6 Li2 Mn2 B2 P2 O14\n1.0\n0.234066 -0.000080 5.265523\n-0.000697 6.838661 -0.000077\n-9.631116 0.000975 -0.146965\nNa Li Mn B P O\n6 2 2 2 2 14\ndirect\n0.749406 0.250009 0.931459 Na\n0.215697 0.986500 0.781926 Na\n0.215694 0.513502 0.781954 Na\n0.784269 0.486612 0.218141 Na\n0.784251 0.013467 0.218165 Na\n0.250591 0.750037 0.068568 Na\n0.000254 0.000139 0.500108 Li\n0.000278 0.499852 0.500094 Li\n0.707099 0.749857 0.680121 Mn\n0.292706 0.250004 0.319782 Mn\n0.726461 0.750003 0.943397 B\n0.273553 0.250029 0.056494 B\n0.679831 0.249944 0.577925 P\n0.320128 0.750040 0.422074 P\n0.276705 0.249963 0.914897 O\n0.949875 0.749932 0.871695 O\n0.500273 0.749966 0.857852 O\n0.780149 0.065613 0.659769 O\n0.780223 0.434202 0.659791 O\n0.186203 0.749958 0.564829 O\n0.386942 0.250028 0.551337 O\n0.612979 0.749973 0.448586 O\n0.813879 0.250033 0.435208 O\n0.219688 0.565730 0.340218 O\n0.219701 0.934386 0.340221 O\n0.499736 0.250062 0.142107 O\n0.050084 0.250068 0.128213 O\n0.723352 0.750090 0.085068 O\n",
"nsites": 28,
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],
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"volume": 346.5728269249673,
"volume_molar": 7.453965526190253,
"formula_full": "Na6 Li2 Mn2 B2 P2 O14",
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"spacegroup": 11
},
{
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},
{
"id": "mp-776529",
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"structure_string": "Na1 Li1 Mn2 Fe4 P6 O24\n1.0\n6.471927 0.000000 0.000000\n-2.434898 8.336199 0.000000\n-2.515668 -1.167760 8.303817\nNa Li Mn Fe P O\n1 1 2 4 6 24\ndirect\n0.001447 0.498318 0.500899 Na\n0.753502 0.010831 0.990147 Li\n0.252780 0.269876 0.729899 Mn\n0.745897 0.723115 0.277271 Mn\n0.364846 0.934504 0.621729 Fe\n0.871884 0.629986 0.932988 Fe\n0.135939 0.376080 0.067604 Fe\n0.627306 0.065603 0.371767 Fe\n0.374983 0.656583 0.869306 P\n0.870088 0.866089 0.651477 P\n0.248604 0.712879 0.285365 P\n0.750999 0.286585 0.715247 P\n0.120655 0.132608 0.345521 P\n0.633656 0.347146 0.131168 P\n0.103256 0.995040 0.665782 O\n0.186930 0.609834 0.954967 O\n0.405141 0.829928 0.819887 O\n0.607049 0.669142 0.997933 O\n0.679311 0.950393 0.594720 O\n0.875259 0.822525 0.822403 O\n0.310009 0.525421 0.727241 O\n0.236828 0.741787 0.458707 O\n0.030437 0.736999 0.169053 O\n0.467097 0.830053 0.264257 O\n0.827460 0.721119 0.529478 O\n0.746097 0.461813 0.743086 O\n0.257177 0.537826 0.258623 O\n0.168144 0.274571 0.472385 O\n0.535063 0.167292 0.740357 O\n0.966008 0.257440 0.833724 O\n0.760181 0.256758 0.541843 O\n0.693670 0.473118 0.276626 O\n0.093979 0.178176 0.171953 O\n0.315827 0.051540 0.397780 O\n0.398696 0.336052 0.007618 O\n0.625603 0.175901 0.178630 O\n0.817760 0.398826 0.042826 O\n0.890433 0.998924 0.329060 O\n",
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{
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{
"id": "mp-772307",
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"structure_string": "Na2 Li10 Mn4 P4 C4 O28\n1.0\n6.634612 0.000000 0.000000\n-0.067052 8.656214 0.000000\n-0.014140 -0.270257 9.982267\nNa Li Mn P C O\n2 10 4 4 4 28\ndirect\n0.253239 0.084129 0.123117 Na\n0.997934 0.250245 0.874103 Na\n0.256909 0.080237 0.622840 Li\n0.020140 0.263332 0.384815 Li\n0.478470 0.264749 0.386280 Li\n0.482436 0.266488 0.881667 Li\n0.520045 0.735151 0.115556 Li\n0.980176 0.734759 0.114836 Li\n0.515676 0.738311 0.616918 Li\n0.984661 0.739401 0.617100 Li\n0.749472 0.916054 0.375225 Li\n0.741935 0.914152 0.874616 Li\n0.746721 0.358216 0.115296 Mn\n0.748874 0.356177 0.609902 Mn\n0.250470 0.647748 0.388048 Mn\n0.249473 0.643594 0.887583 Mn\n0.249782 0.413644 0.150486 P\n0.254441 0.407255 0.645643 P\n0.750291 0.594726 0.353636 P\n0.745431 0.594711 0.852816 P\n0.749385 0.042318 0.134828 C\n0.747999 0.041910 0.632999 C\n0.250086 0.957988 0.371433 C\n0.258408 0.946962 0.859045 C\n0.248111 0.106940 0.355644 O\n0.275838 0.095144 0.842838 O\n0.750444 0.088780 0.012235 O\n0.749592 0.089043 0.511164 O\n0.746480 0.142124 0.234262 O\n0.744115 0.141396 0.732842 O\n0.060979 0.322422 0.101532 O\n0.432412 0.321235 0.094840 O\n0.065067 0.311877 0.600303 O\n0.434311 0.311836 0.589197 O\n0.254562 0.416345 0.307404 O\n0.750438 0.423644 0.399169 O\n0.267162 0.415997 0.801864 O\n0.732764 0.426658 0.902581 O\n0.251332 0.584300 0.104568 O\n0.749623 0.588949 0.196746 O\n0.251233 0.576322 0.597119 O\n0.748945 0.585517 0.695946 O\n0.566832 0.688729 0.406126 O\n0.935251 0.689005 0.406642 O\n0.566269 0.696004 0.902451 O\n0.933945 0.684239 0.906397 O\n0.250348 0.863868 0.267975 O\n0.247493 0.854810 0.754086 O\n0.252029 0.903510 0.491260 O\n0.251016 0.889245 0.977173 O\n0.750817 0.895132 0.160162 O\n0.750137 0.894675 0.658687 O\n",
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{
"id": "mp-770835",
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},
{
"id": "mp-772236",
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"structure_string": "Na6 Li6 Mn4 P4 C4 O28\n1.0\n6.766357 0.000000 0.000000\n-0.165824 8.749525 0.000000\n-0.053936 -0.189604 10.148007\nNa Li Mn P C O\n6 6 4 4 4 28\ndirect\n0.244260 0.916403 0.378872 Na\n0.499680 0.746037 0.626233 Na\n0.998769 0.744559 0.123310 Na\n0.500978 0.742899 0.121543 Na\n0.500836 0.253716 0.876145 Na\n0.501155 0.255250 0.375743 Na\n0.236063 0.920377 0.875374 Li\n0.019897 0.730287 0.620598 Li\n0.982390 0.266288 0.883530 Li\n0.980223 0.270423 0.383775 Li\n0.767395 0.085723 0.626019 Li\n0.760214 0.089106 0.122912 Li\n0.751481 0.641751 0.885172 Mn\n0.752220 0.639820 0.390901 Mn\n0.245814 0.355204 0.613139 Mn\n0.244725 0.355681 0.108708 Mn\n0.241476 0.594752 0.849008 P\n0.244792 0.584938 0.353629 P\n0.758030 0.405712 0.648651 P\n0.753082 0.401827 0.146063 P\n0.759969 0.955018 0.865525 C\n0.759171 0.954984 0.367210 C\n0.239393 0.051512 0.639033 C\n0.248401 0.051222 0.129887 C\n0.227129 0.904119 0.654072 O\n0.255230 0.907090 0.149818 O\n0.753054 0.910152 0.987217 O\n0.750768 0.909755 0.488759 O\n0.753025 0.854442 0.769018 O\n0.752669 0.853484 0.271063 O\n0.068271 0.695827 0.896704 O\n0.434258 0.683729 0.889434 O\n0.068024 0.683312 0.401275 O\n0.436002 0.672893 0.399292 O\n0.230582 0.578965 0.695120 O\n0.767875 0.571800 0.595086 O\n0.243367 0.572719 0.200088 O\n0.749065 0.564453 0.087843 O\n0.233379 0.430370 0.905232 O\n0.772504 0.419521 0.802351 O\n0.232283 0.420279 0.407661 O\n0.771281 0.420170 0.299543 O\n0.564172 0.318643 0.608846 O\n0.927893 0.304486 0.595381 O\n0.563706 0.306234 0.110099 O\n0.927377 0.305089 0.092745 O\n0.242792 0.141225 0.742698 O\n0.242480 0.147214 0.229765 O\n0.248910 0.111034 0.523250 O\n0.246827 0.102495 0.009792 O\n0.773149 0.098708 0.837651 O\n0.773508 0.098304 0.339215 O\n",
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"formula_full": "Na6 Li6 Mn4 P4 C4 O28",
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}
]
}