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{
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{
"id": "mp-1197344",
"created_at": "2022-09-04T14:41:49.757370Z",
"structure_string": "P4 Rh4 O40\n1.0\n3.342186 5.151757 0.000000\n-3.342186 5.151757 0.000000\n0.000000 4.874840 24.233756\nP Rh O\n4 4 40\ndirect\n0.808888 0.930202 0.379829 P\n0.069798 0.191112 0.120171 P\n0.191112 0.069798 0.620171 P\n0.930202 0.808888 0.879829 P\n0.442791 0.557209 0.250000 Rh\n0.557209 0.442791 0.750000 Rh\n0.500000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.390186 0.851184 0.278074 O\n0.148816 0.609814 0.221926 O\n0.609814 0.148816 0.721926 O\n0.851184 0.390186 0.778074 O\n0.739514 0.504171 0.277073 O\n0.495829 0.260486 0.222927 O\n0.260486 0.495829 0.722927 O\n0.504171 0.739514 0.777073 O\n0.288940 0.399985 0.308016 O\n0.600015 0.711060 0.191984 O\n0.711060 0.600015 0.691984 O\n0.399985 0.288940 0.808016 O\n0.591862 0.363633 0.572899 O\n0.636367 0.408138 0.927101 O\n0.408138 0.636367 0.427101 O\n0.363633 0.591862 0.072899 O\n0.812323 0.389304 0.458063 O\n0.610696 0.187677 0.041937 O\n0.187677 0.610696 0.541937 O\n0.389304 0.812323 0.958063 O\n0.354326 0.301057 0.481885 O\n0.698943 0.645674 0.018115 O\n0.645674 0.698943 0.518115 O\n0.301057 0.354326 0.981885 O\n0.851433 0.672091 0.370560 O\n0.327909 0.148567 0.129440 O\n0.148567 0.327909 0.629440 O\n0.672091 0.851433 0.870560 O\n0.919400 0.935246 0.430745 O\n0.064754 0.080600 0.069255 O\n0.080600 0.064754 0.569255 O\n0.935246 0.919400 0.930745 O\n0.534458 0.067468 0.388398 O\n0.932532 0.465542 0.111602 O\n0.465542 0.932532 0.611602 O\n0.067468 0.534458 0.888398 O\n0.926791 0.038171 0.328718 O\n0.961829 0.073209 0.171282 O\n0.073209 0.961829 0.671282 O\n0.038171 0.926791 0.828718 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"P",
"Rh",
"O"
],
"chemical_system": "O-P-Rh",
"density": 2.3390120027687678,
"density_atomic": 0.05751809917924741,
"volume": 834.5199282475323,
"volume_molar": 10.469992656107793,
"formula_full": "P4 Rh4 O40",
"formula_reduced": "PRhO10",
"formula_anonymous": "ABC10",
"energy": -266.87010503,
"energy_per_atom": -5.559793854791667,
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"energy_uncorrected": -239.39010503000003,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:25.841000Z",
"spacegroup": 15
},
{
"id": "mp-1639944",
"created_at": "2022-09-04T14:41:53.497086Z",
"structure_string": "Mn6 Sb2 P8 O32\n1.0\n5.042287 0.085711 6.155777\n-4.867962 9.969746 0.001298\n-5.042140 -0.084066 6.155609\nMn Sb P O\n6 2 8 32\ndirect\n0.326175 0.789602 0.923861 Mn\n0.773984 0.709385 0.980218 Mn\n0.270078 0.709306 0.476070 Mn\n0.706960 0.218927 0.045168 Mn\n0.204564 0.218702 0.543224 Mn\n0.807021 0.783715 0.443061 Mn\n0.747568 0.284169 0.502435 Sb\n0.239947 0.287418 0.010235 Sb\n0.484750 0.605961 0.765211 P\n0.979597 0.602817 0.270251 P\n0.380831 0.100610 0.869170 P\n0.855512 0.085896 0.394485 P\n0.113697 0.890669 0.636415 P\n0.613670 0.890792 0.136187 P\n0.024638 0.412950 0.706446 P\n0.543508 0.412992 0.225475 P\n0.446170 0.455937 0.803750 O\n0.938102 0.446904 0.311953 O\n0.674855 0.384435 0.090055 O\n0.159972 0.384289 0.575155 O\n0.953307 0.866928 0.802193 O\n0.447667 0.866892 0.296463 O\n0.753740 0.937682 0.496240 O\n0.295451 0.949525 0.954560 O\n0.710480 0.039118 0.039513 O\n0.210636 0.039018 0.539541 O\n0.547936 0.132063 0.702142 O\n0.014346 0.110598 0.235859 O\n0.836769 0.621172 0.413289 O\n0.339948 0.623790 0.910113 O\n0.073522 0.563561 0.666850 O\n0.582809 0.563589 0.176620 O\n0.481838 0.674664 0.567907 O\n0.978334 0.665703 0.071784 O\n0.682053 0.674670 0.767822 O\n0.178166 0.665768 0.270938 O\n0.241954 0.168177 0.812988 O\n0.721214 0.166353 0.337551 O\n0.436998 0.168150 0.008100 O\n0.912392 0.166198 0.528959 O\n0.048703 0.822475 0.500334 O\n0.553055 0.820021 0.999762 O\n0.250113 0.819910 0.697225 O\n0.749668 0.822572 0.201325 O\n0.817212 0.350508 0.696972 O\n0.339582 0.337355 0.252830 O\n0.997307 0.337426 0.910424 O\n0.553194 0.350635 0.432873 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Mn",
"Sb",
"P",
"O"
],
"chemical_system": "Mn-O-P-Sb",
"density": 3.547195976304837,
"density_atomic": 0.07692606372499142,
"volume": 623.9757720036046,
"volume_molar": 7.828479020490362,
"formula_full": "Mn6 Sb2 P8 O32",
"formula_reduced": "Mn3Sb(PO4)4",
"formula_anonymous": "AB3C4D16",
"energy": -380.0663241900001,
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"energy_uncorrected": -348.07432419,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.957000Z",
"spacegroup": 8
},
{
"id": "mp-1175164",
"created_at": "2022-09-04T14:41:49.794097Z",
"structure_string": "Li14 Mn8 Co2 O24\n1.0\n-5.876992 0.082035 0.543070\n3.334751 0.115042 9.548588\n0.298763 7.532450 3.276352\nLi Mn Co O\n14 8 2 24\ndirect\n0.666696 0.333319 0.833339 Li\n0.166705 0.333307 0.833366 Li\n0.666732 0.833281 0.333364 Li\n0.166735 0.833299 0.333340 Li\n0.666649 0.833320 0.833331 Li\n0.166655 0.833320 0.833336 Li\n0.508679 0.507331 0.998130 Li\n0.015774 0.508021 0.000388 Li\n0.317563 0.158662 0.666254 Li\n0.824645 0.159335 0.668571 Li\n0.488734 0.994881 0.526562 Li\n0.007365 0.000893 0.524517 Li\n0.844580 0.671802 0.140107 Li\n0.326050 0.665774 0.142152 Li\n0.989731 0.995500 0.992633 Mn\n0.491135 0.995911 0.992084 Mn\n0.343617 0.671179 0.674011 Mn\n0.842187 0.670788 0.674603 Mn\n0.503215 0.502130 0.493430 Mn\n0.007815 0.503787 0.491577 Mn\n0.325471 0.162916 0.175188 Mn\n0.830081 0.164535 0.173298 Mn\n0.666680 0.333343 0.333317 Co\n0.166644 0.333349 0.333339 Co\n0.309560 0.149334 0.935199 O\n0.807495 0.148827 0.931094 O\n0.525832 0.517837 0.735530 O\n0.023792 0.517341 0.731451 O\n0.355199 0.662354 0.431255 O\n0.847316 0.659998 0.430339 O\n0.485964 0.006689 0.236322 O\n0.978130 0.004315 0.235361 O\n0.174393 0.323511 0.098843 O\n0.680383 0.324779 0.102726 O\n0.652917 0.341871 0.563929 O\n0.158863 0.343142 0.567844 O\n0.653785 0.812932 0.595175 O\n0.154286 0.812708 0.593358 O\n0.679566 0.853720 0.071490 O\n0.179085 0.853961 0.073279 O\n0.479129 0.477534 0.261788 O\n0.009917 0.495005 0.258366 O\n0.323402 0.171687 0.408302 O\n0.854188 0.189137 0.404825 O\n0.000009 0.002821 0.767666 O\n0.499037 0.004119 0.766442 O\n0.834300 0.662557 0.900213 O\n0.333313 0.663839 0.898965 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.9786503739589354,
"density_atomic": 0.11074107218572819,
"volume": 433.4435187650822,
"volume_molar": 5.43803725315214,
"formula_full": "Li14 Mn8 Co2 O24",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
"energy": -330.89239736,
"energy_per_atom": -6.893591611666667,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:27.635000Z",
"spacegroup": 2
},
{
"id": "mp-1176994",
"created_at": "2022-09-04T14:41:51.471367Z",
"structure_string": "Li14 V6 Si4 O24\n1.0\n4.295608 2.480287 0.018391\n-2.896402 3.292926 -9.734674\n-4.299422 7.447470 -0.000255\nLi V Si O\n14 6 4 24\ndirect\n0.125022 0.750000 0.958360 Li\n0.625022 0.749988 0.458374 Li\n0.256150 0.507410 0.579707 Li\n0.756158 0.507389 0.079689 Li\n0.493980 0.992649 0.837050 Li\n0.993948 0.992619 0.337097 Li\n0.503272 0.993240 0.173563 Li\n0.003278 0.993308 0.673524 Li\n0.246740 0.506782 0.243213 Li\n0.746703 0.506753 0.743242 Li\n0.246775 0.506749 0.916755 Li\n0.746817 0.506779 0.416782 Li\n0.003240 0.993277 0.999946 Li\n0.503263 0.993305 0.499979 Li\n0.875044 0.250116 0.708380 V\n0.874988 0.249984 0.374602 V\n0.874966 0.250072 0.042099 V\n0.375128 0.250055 0.208380 V\n0.374795 0.249942 0.874538 V\n0.375036 0.250151 0.542165 V\n0.124925 0.749970 0.291647 Si\n0.624940 0.749965 0.791647 Si\n0.625045 0.749959 0.125069 Si\n0.125041 0.749950 0.625067 Si\n0.268997 0.852670 0.406761 O\n0.768989 0.852666 0.906763 O\n0.481241 0.647154 0.009432 O\n0.981245 0.647162 0.509429 O\n0.193221 0.126520 0.770186 O\n0.693173 0.126482 0.270278 O\n0.056489 0.373317 0.146899 O\n0.556363 0.373371 0.646938 O\n0.919498 0.647548 0.196516 O\n0.419532 0.647541 0.696527 O\n0.330329 0.852302 0.094222 O\n0.830443 0.852252 0.594220 O\n0.419486 0.647527 0.322273 O\n0.919415 0.647499 0.822289 O\n0.330739 0.852404 0.720040 O\n0.830756 0.852413 0.220043 O\n0.056904 0.370083 0.481774 O\n0.556755 0.369860 0.981584 O\n0.193490 0.130105 0.434979 O\n0.693498 0.129953 0.934937 O\n0.192746 0.130226 0.101840 O\n0.692804 0.130245 0.601841 O\n0.556895 0.370094 0.314743 O\n0.056717 0.370195 0.814609 O\n",
"nsites": 48,
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"elements": [
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"V",
"Si",
"O"
],
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"density": 3.5969659332693773,
"density_atomic": 0.11563678965401536,
"volume": 415.09281037302867,
"volume_molar": 5.207806942771597,
"formula_full": "Li14 V6 Si4 O24",
"formula_reduced": "Li7V3(SiO6)2",
"formula_anonymous": "A2B3C7D12",
"energy": -347.08753073,
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"updated_at": "2021-11-28T01:35:26.827000Z",
"spacegroup": 12
},
{
"id": "mp-778754",
"created_at": "2022-09-04T14:41:53.654463Z",
"structure_string": "Li8 Mn1 Fe7 B8 O24\n1.0\n-5.221722 0.000000 0.000000\n-0.001216 -9.063588 0.000000\n0.190897 0.296180 10.394181\nLi Mn Fe B O\n8 1 7 8 24\ndirect\n0.849198 0.828053 0.664905 Li\n0.817050 0.836178 0.168485 Li\n0.681442 0.668553 0.415743 Li\n0.662058 0.673965 0.914859 Li\n0.346143 0.327470 0.666575 Li\n0.317709 0.336782 0.167485 Li\n0.184414 0.170370 0.414394 Li\n0.161906 0.174881 0.915173 Li\n0.667154 0.003002 0.884228 Mn\n0.819789 0.501048 0.133652 Fe\n0.841987 0.161290 0.632823 Fe\n0.674049 0.331199 0.383852 Fe\n0.333802 0.659523 0.634240 Fe\n0.315540 0.999652 0.131431 Fe\n0.182655 0.832766 0.382881 Fe\n0.165665 0.500300 0.885584 Fe\n0.828426 0.168047 0.128474 B\n0.833637 0.500242 0.625595 B\n0.668574 0.001365 0.375222 B\n0.671740 0.336931 0.875115 B\n0.329760 0.666851 0.126032 B\n0.337725 0.000193 0.625087 B\n0.165573 0.502111 0.375453 B\n0.168948 0.832108 0.876537 B\n0.903469 0.514200 0.345926 O\n0.906002 0.821159 0.861893 O\n0.821331 0.213086 0.844970 O\n0.808122 0.127381 0.415193 O\n0.787775 0.866882 0.362191 O\n0.787986 0.468604 0.916780 O\n0.720230 0.637692 0.613076 O\n0.707675 0.033172 0.099399 O\n0.691901 0.372121 0.596683 O\n0.686845 0.291561 0.165391 O\n0.593795 0.678476 0.114228 O\n0.594067 0.991406 0.664476 O\n0.404705 0.014414 0.347177 O\n0.407523 0.327810 0.862262 O\n0.322643 0.710053 0.846084 O\n0.304577 0.626756 0.416770 O\n0.288070 0.367610 0.361559 O\n0.279939 0.965716 0.919001 O\n0.210219 0.531770 0.095993 O\n0.221508 0.137653 0.613068 O\n0.197443 0.872651 0.596322 O\n0.186854 0.789193 0.165267 O\n0.092529 0.178923 0.115349 O\n0.090451 0.489431 0.664715 O\n",
"nsites": 48,
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"elements": [
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"Mn",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-Mn-O",
"density": 3.2805467764434897,
"density_atomic": 0.09757466295672644,
"volume": 491.9309843917945,
"volume_molar": 6.1718284004432284,
"formula_full": "Li8 Mn1 Fe7 B8 O24",
"formula_reduced": "Li8MnFe7(BO3)8",
"formula_anonymous": "AB7C8D8E24",
"energy": -369.22940682,
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"band_gap": 3.174300000000001,
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"updated_at": "2021-11-28T01:35:36.998000Z",
"spacegroup": 1
},
{
"id": "mp-770728",
"created_at": "2022-09-04T14:41:50.350276Z",
"structure_string": "Li18 Cr6 O24\n1.0\n5.787737 0.000000 0.000000\n0.000000 5.805351 0.000000\n0.000000 2.738098 12.318740\nLi Cr O\n18 6 24\ndirect\n0.498068 0.000000 0.000000 Li\n0.977086 0.000000 0.000000 Li\n0.216268 0.000000 0.500000 Li\n0.712666 0.000000 0.500000 Li\n0.734603 0.165136 0.167913 Li\n0.222889 0.175863 0.158326 Li\n0.959122 0.337862 0.332242 Li\n0.962652 0.154242 0.666337 Li\n0.470078 0.500000 0.000000 Li\n0.466611 0.172172 0.662224 Li\n0.723044 0.334872 0.830494 Li\n0.212584 0.500000 0.500000 Li\n0.723044 0.665128 0.169506 Li\n0.466611 0.827828 0.337776 Li\n0.962652 0.845758 0.333663 Li\n0.959122 0.662138 0.667758 Li\n0.222889 0.824137 0.841674 Li\n0.734603 0.834864 0.832087 Li\n0.458705 0.305736 0.331466 Cr\n0.945784 0.500000 0.000000 Cr\n0.222972 0.304063 0.832320 Cr\n0.735630 0.500000 0.500000 Cr\n0.222972 0.695937 0.167680 Cr\n0.458705 0.694264 0.668534 Cr\n0.694139 0.105121 0.328654 O\n0.742233 0.268731 0.004759 O\n0.234160 0.102670 0.337907 O\n0.461333 0.426913 0.180567 O\n0.989863 0.102791 0.828879 O\n0.940189 0.270213 0.504653 O\n0.992000 0.434805 0.153411 O\n0.448818 0.102056 0.838828 O\n0.470546 0.275111 0.486915 O\n0.210797 0.722553 0.013180 O\n0.688662 0.564573 0.346684 O\n0.221477 0.574490 0.318765 O\n0.221477 0.425510 0.681235 O\n0.688662 0.435427 0.653316 O\n0.210797 0.277447 0.986820 O\n0.470546 0.724889 0.513085 O\n0.448818 0.897944 0.161172 O\n0.992000 0.565195 0.846589 O\n0.940189 0.729787 0.495347 O\n0.989863 0.897209 0.171121 O\n0.461333 0.573087 0.819433 O\n0.234160 0.897330 0.662093 O\n0.742233 0.731269 0.995241 O\n0.694139 0.894879 0.671346 O\n",
"nsites": 48,
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"elements": [
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"O"
],
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"volume": 413.9077518936402,
"volume_molar": 5.192939049080537,
"formula_full": "Li18 Cr6 O24",
"formula_reduced": "Li3CrO4",
"formula_anonymous": "AB3C4",
"energy": -312.43162782,
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"updated_at": "2021-11-28T01:35:37.669000Z",
"spacegroup": 3
},
{
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