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{
"id": "mp-1374666",
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"structure_string": "Mg4 Fe8 O16\n1.0\n2.940035 0.000000 0.000000\n0.000000 8.999439 0.000000\n0.000000 0.000000 10.443705\nMg Fe O\n4 8 16\ndirect\n0.500000 0.248676 0.407067 Mg\n0.000000 0.754607 0.099345 Mg\n0.500000 0.748676 0.592933 Mg\n0.000000 0.254607 0.900655 Mg\n0.000000 0.417295 0.646224 Fe\n0.500000 0.082888 0.150283 Fe\n0.000000 0.917295 0.353776 Fe\n0.500000 0.582888 0.849717 Fe\n0.500000 0.567798 0.367378 Fe\n0.000000 0.433289 0.134880 Fe\n0.500000 0.067798 0.632622 Fe\n0.000000 0.933289 0.865120 Fe\n0.000000 0.908922 0.674504 O\n0.500000 0.091608 0.824625 O\n0.000000 0.408922 0.325496 O\n0.500000 0.591608 0.175375 O\n0.000000 0.026209 0.036593 O\n0.500000 0.967326 0.464221 O\n0.000000 0.526209 0.963407 O\n0.500000 0.467326 0.535779 O\n0.000000 0.623248 0.711837 O\n0.500000 0.374079 0.773729 O\n0.000000 0.123248 0.288163 O\n0.500000 0.874079 0.226271 O\n0.500000 0.791914 0.931298 O\n0.000000 0.211949 0.570249 O\n0.000000 0.711949 0.429751 O\n0.500000 0.291914 0.068702 O\n",
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{
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"structure_string": "Tb2 Zr2 O28\n1.0\n-5.404973 -5.404973 0.000000\n-5.404973 0.000000 -5.404973\n0.000000 -5.404973 -5.404973\nTb Zr O\n2 2 28\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750000 0.750000 0.750000 Tb\n0.500000 0.500000 0.500000 Zr\n0.250000 0.250000 0.250000 Zr\n0.875000 0.875000 0.875000 O\n0.375000 0.875000 0.875000 O\n0.875000 0.375000 0.875000 O\n0.875000 0.875000 0.375000 O\n0.506513 0.506513 0.181467 O\n0.805508 0.181467 0.506513 O\n0.181467 0.805508 0.506513 O\n0.506513 0.181467 0.506513 O\n0.944492 0.243487 0.568533 O\n0.243487 0.243487 0.568533 O\n0.506513 0.506513 0.805508 O\n0.181467 0.506513 0.805508 O\n0.243487 0.568533 0.243487 O\n0.944492 0.568533 0.243487 O\n0.805508 0.506513 0.181467 O\n0.243487 0.944492 0.243487 O\n0.568533 0.944492 0.243487 O\n0.506513 0.805508 0.506513 O\n0.568533 0.243487 0.944492 O\n0.243487 0.243487 0.944492 O\n0.181467 0.506513 0.506513 O\n0.506513 0.181467 0.805508 O\n0.805508 0.506513 0.506513 O\n0.506513 0.805508 0.181467 O\n0.243487 0.568533 0.944492 O\n0.568533 0.243487 0.243487 O\n0.243487 0.944492 0.568533 O\n0.944492 0.243487 0.243487 O\n",
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{
"id": "mp-26481",
"created_at": "2022-09-04T14:40:14.930941Z",
"structure_string": "Li6 Cr2 P4 O16\n1.0\n8.727716 0.000000 0.000000\n0.000000 4.907884 0.000000\n0.000000 0.501594 6.450894\nLi Cr P O\n6 2 4 16\ndirect\n0.859775 0.016173 0.307396 Li\n0.140225 0.983827 0.692604 Li\n0.640225 0.516173 0.807396 Li\n0.500000 0.000000 0.000000 Li\n0.359775 0.483827 0.192604 Li\n0.000000 0.500000 0.500000 Li\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.318913 0.471761 0.723041 P\n0.681087 0.528239 0.276959 P\n0.818913 0.028239 0.776959 P\n0.181087 0.971761 0.223041 P\n0.402794 0.345603 0.911897 O\n0.359137 0.931574 0.251473 O\n0.640863 0.068426 0.748527 O\n0.902794 0.154397 0.588103 O\n0.643365 0.215464 0.309201 O\n0.865447 0.171390 0.975532 O\n0.356635 0.784536 0.690799 O\n0.365447 0.328610 0.524468 O\n0.143365 0.284536 0.190799 O\n0.140863 0.431574 0.751473 O\n0.859137 0.568426 0.248527 O\n0.597206 0.654397 0.088103 O\n0.634553 0.671390 0.475532 O\n0.856635 0.715464 0.809201 O\n0.134553 0.828610 0.024468 O\n0.097206 0.845603 0.411897 O\n",
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"formula_full": "Li6 Cr2 P4 O16",
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{
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"created_at": "2022-09-04T14:43:16.631218Z",
"structure_string": "Zn2 Co8 O12\n1.0\n1.471728 -4.917777 0.000000\n1.471728 4.917777 0.000000\n0.000000 0.000000 14.998474\nZn Co O\n2 8 12\ndirect\n0.344058 0.655942 0.750000 Zn\n0.655942 0.344058 0.250000 Zn\n0.137498 0.862502 0.044871 Co\n0.595960 0.404040 0.637805 Co\n0.862502 0.137498 0.955129 Co\n0.404040 0.595960 0.362195 Co\n0.137498 0.862502 0.455129 Co\n0.862502 0.137498 0.544871 Co\n0.404040 0.595960 0.137805 Co\n0.595960 0.404040 0.862195 Co\n0.500000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.951336 0.048664 0.841429 O\n0.048664 0.951336 0.158571 O\n0.048664 0.951336 0.341429 O\n0.951336 0.048664 0.658571 O\n0.221684 0.778316 0.925538 O\n0.778316 0.221684 0.074462 O\n0.778316 0.221684 0.425538 O\n0.221684 0.778316 0.574462 O\n0.696937 0.303063 0.750000 O\n0.303063 0.696937 0.250000 O\n",
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"formula_full": "Zn2 Co8 O12",
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},
{
"id": "mp-1400982",
"created_at": "2022-09-04T14:43:16.681743Z",
"structure_string": "Li2 Mn1 Ni3 O8\n1.0\n5.677364 0.000000 0.000000\n-2.771311 4.984553 0.000000\n-0.070872 -3.251567 4.881973\nLi Mn Ni O\n2 1 3 8\ndirect\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.529474 0.251730 0.196731 O\n0.533160 0.780310 0.207990 O\n0.008171 0.250140 0.208298 O\n0.043195 0.790145 0.215654 O\n0.956805 0.209855 0.784346 O\n0.991829 0.749860 0.791702 O\n0.466840 0.219690 0.792010 O\n0.470526 0.748270 0.803269 O\n",
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"formula_full": "Li2 Mn1 Ni3 O8",
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{
"id": "mp-758714",
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"structure_string": "Li2 Mn1 Ni3 O8\n1.0\n1.616020 -5.442398 -0.035209\n5.133872 1.466198 -2.430019\n0.033923 -2.912605 4.903215\nLi Mn Ni O\n2 1 3 8\ndirect\n0.999998 0.499997 0.500011 Li\n0.500004 0.499998 0.499990 Li\n0.999998 0.000011 0.000004 Mn\n0.000001 0.000005 0.500000 Ni\n0.500000 0.999996 0.999996 Ni\n0.500001 0.000004 0.500001 Ni\n0.273795 0.196731 0.448460 O\n0.258850 0.207990 0.988301 O\n0.783531 0.208298 0.458439 O\n0.741151 0.215654 0.005800 O\n0.258859 0.784342 0.994198 O\n0.216466 0.791701 0.541565 O\n0.741146 0.792005 0.011703 O\n0.726207 0.803275 0.551540 O\n",
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{
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"structure_string": "Th2 Be26\n1.0\n0.000000 5.169580 5.169580\n5.169580 0.000000 5.169580\n5.169580 5.169580 0.000000\nTh Be\n2 26\ndirect\n0.750000 0.750000 0.750000 Th\n0.250000 0.250000 0.250000 Th\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Be\n0.437805 0.787887 0.562195 Be\n0.287887 0.937805 0.062195 Be\n0.937805 0.287887 0.712113 Be\n0.712113 0.937805 0.287887 Be\n0.287887 0.062195 0.712113 Be\n0.937805 0.062195 0.287887 Be\n0.712113 0.287887 0.062195 Be\n0.562195 0.437805 0.787887 Be\n0.787887 0.562195 0.437805 Be\n0.437805 0.212113 0.787887 Be\n0.437805 0.562195 0.212113 Be\n0.787887 0.212113 0.562195 Be\n0.212113 0.437805 0.562195 Be\n0.212113 0.787887 0.437805 Be\n0.562195 0.787887 0.212113 Be\n0.062195 0.287887 0.937805 Be\n0.062195 0.712113 0.287887 Be\n0.287887 0.712113 0.937805 Be\n0.062195 0.937805 0.712113 Be\n0.712113 0.062195 0.937805 Be\n0.937805 0.712113 0.062195 Be\n0.787887 0.437805 0.212113 Be\n0.562195 0.212113 0.437805 Be\n0.212113 0.562195 0.787887 Be\n",
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{
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"created_at": "2022-09-04T14:40:55.276340Z",
"structure_string": "Ca1 Mg14 C1 O16\n1.0\n4.295731 0.000000 0.000000\n0.000000 8.561867 0.000000\n0.000000 0.000000 8.585716\nCa Mg C O\n1 14 1 16\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.741702 0.000000 Mg\n0.500000 0.258298 0.000000 Mg\n0.500000 0.749583 0.500000 Mg\n0.500000 0.250417 0.500000 Mg\n0.500000 0.000000 0.744727 Mg\n0.500000 0.500000 0.753239 Mg\n0.500000 0.000000 0.255273 Mg\n0.500000 0.500000 0.246761 Mg\n0.000000 0.745236 0.748847 Mg\n0.000000 0.254764 0.748847 Mg\n0.000000 0.745236 0.251153 Mg\n0.000000 0.254764 0.251153 Mg\n0.000000 0.500000 0.000000 C\n0.000000 0.000000 0.737164 O\n0.000000 0.500000 0.746891 O\n0.000000 0.000000 0.262836 O\n0.000000 0.500000 0.253109 O\n0.500000 0.749805 0.751516 O\n0.500000 0.250195 0.751516 O\n0.500000 0.749805 0.248484 O\n0.500000 0.250195 0.248484 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.737033 0.000000 O\n0.000000 0.262967 0.000000 O\n0.000000 0.747413 0.500000 O\n0.000000 0.252587 0.500000 O\n",
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{
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"structure_string": "Na4 Ni6 O10\n1.0\n-4.448181 -2.635340 0.044146\n-0.006063 3.437112 5.057373\n-1.444444 4.414241 -5.134790\nNa Ni O\n4 6 10\ndirect\n0.800538 0.099180 0.605405 Na\n0.599462 0.700820 0.194595 Na\n0.406707 0.303201 0.806137 Na\n0.993293 0.496799 0.993863 Na\n0.800525 0.602388 0.593497 Ni\n0.599475 0.197612 0.206503 Ni\n0.402784 0.800374 0.793731 Ni\n0.200000 0.400000 0.400000 Ni\n0.200000 0.900000 0.400000 Ni\n0.997216 0.999626 0.006269 Ni\n0.934282 0.084786 0.308984 O\n0.922783 0.533017 0.319012 O\n0.694070 0.108736 0.919618 O\n0.705930 0.691264 0.880382 O\n0.477217 0.266983 0.480988 O\n0.465718 0.715214 0.491016 O\n0.270923 0.318256 0.127982 O\n0.276589 0.875306 0.100586 O\n0.129077 0.481744 0.672018 O\n0.123411 0.924694 0.699414 O\n",
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{
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}