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{
"count": 146323,
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"results": [
{
"id": "mp-849746",
"created_at": "2022-09-04T14:43:17.067882Z",
"structure_string": "Li6 Mn12 B12 O36\n1.0\n4.593677 7.837536 0.000000\n-4.593677 7.837536 0.000000\n0.000000 0.080072 10.471602\nLi Mn B O\n6 12 12 36\ndirect\n0.716468 0.697698 0.323710 Li\n0.697698 0.716468 0.823710 Li\n0.945846 0.963994 0.084021 Li\n0.963994 0.945846 0.584021 Li\n0.405168 0.364824 0.331019 Li\n0.364824 0.405168 0.831019 Li\n0.747057 0.334930 0.874829 Mn\n0.924834 0.329725 0.123375 Mn\n0.334930 0.747057 0.374829 Mn\n0.948638 0.597398 0.621061 Mn\n0.329725 0.924834 0.623375 Mn\n0.597398 0.948638 0.121061 Mn\n0.357070 0.069858 0.879446 Mn\n0.069858 0.357070 0.379446 Mn\n0.747013 0.044607 0.365874 Mn\n0.598185 0.298094 0.606997 Mn\n0.298094 0.598185 0.106997 Mn\n0.044607 0.747013 0.865874 Mn\n0.960996 0.250319 0.634040 B\n0.695109 0.412942 0.356593 B\n0.412942 0.695109 0.856593 B\n0.250319 0.960996 0.134040 B\n0.953469 0.622314 0.127154 B\n0.411924 0.041727 0.369776 B\n0.622314 0.953469 0.627154 B\n0.702145 0.062149 0.891515 B\n0.041727 0.411924 0.869776 B\n0.628542 0.258191 0.124528 B\n0.062149 0.702145 0.391515 B\n0.258191 0.628542 0.624528 B\n0.721352 0.325554 0.062644 O\n0.862095 0.338273 0.304145 O\n0.800485 0.315948 0.693101 O\n0.944836 0.351759 0.933638 O\n0.596246 0.581372 0.360270 O\n0.325554 0.721352 0.562644 O\n0.581372 0.596246 0.860270 O\n0.315948 0.800485 0.193101 O\n0.338273 0.862095 0.804145 O\n0.949350 0.571392 0.810206 O\n0.083056 0.066377 0.124345 O\n0.783277 0.706595 0.146212 O\n0.970944 0.619724 0.431465 O\n0.066377 0.083056 0.624345 O\n0.351759 0.944836 0.433638 O\n0.706595 0.783277 0.646212 O\n0.366486 0.001413 0.078011 O\n0.571392 0.949350 0.310206 O\n0.449795 0.046072 0.663211 O\n0.619724 0.970944 0.931465 O\n0.001413 0.366486 0.578011 O\n0.994751 0.872252 0.394528 O\n0.324540 0.210537 0.368199 O\n0.700042 0.038982 0.574425 O\n0.718150 0.086338 0.157694 O\n0.872252 0.994751 0.894528 O\n0.210537 0.324540 0.868199 O\n0.046072 0.449795 0.163211 O\n0.602434 0.230745 0.852037 O\n0.464439 0.356382 0.151763 O\n0.641452 0.303078 0.405735 O\n0.356382 0.464439 0.651763 O\n0.038982 0.700042 0.074425 O\n0.230745 0.602434 0.352037 O\n0.086338 0.718150 0.657694 O\n0.303078 0.641452 0.905735 O\n",
"nsites": 66,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.097708726142506,
"density_atomic": 0.08753078208266545,
"volume": 754.0204534865068,
"volume_molar": 6.880026222446631,
"formula_full": "Li6 Mn12 B12 O36",
"formula_reduced": "LiMn2(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy": -540.33631295,
"energy_per_atom": -8.186913832575756,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -495.58831295,
"band_gap": 3.2148000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 54.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.018000Z",
"spacegroup": 9
},
{
"id": "mp-768497",
"created_at": "2022-09-04T14:45:19.350642Z",
"structure_string": "Li6 Mn12 P12 O48\n1.0\n8.670332 0.000000 0.000000\n-2.262214 8.805291 0.000000\n-2.091263 -3.976042 11.726275\nLi Mn P O\n6 12 12 48\ndirect\n0.495767 0.245558 0.745778 Li\n0.500000 0.000000 0.500000 Li\n0.006952 0.129462 0.147368 Li\n0.504233 0.754442 0.254222 Li\n0.500000 0.500000 0.000000 Li\n0.993048 0.870538 0.852632 Li\n0.614135 0.645081 0.710493 Mn\n0.262646 0.245480 0.508359 Mn\n0.932147 0.236687 0.617131 Mn\n0.067853 0.763313 0.382869 Mn\n0.385865 0.354919 0.289507 Mn\n0.737354 0.754520 0.491641 Mn\n0.273719 0.739592 0.009817 Mn\n0.624222 0.148259 0.213709 Mn\n0.936661 0.736579 0.121419 Mn\n0.063339 0.263421 0.878581 Mn\n0.726281 0.260408 0.990183 Mn\n0.375778 0.851741 0.786291 Mn\n0.126767 0.991037 0.643289 P\n0.349049 0.633030 0.499256 P\n0.708889 0.020501 0.729374 P\n0.650951 0.366970 0.500744 P\n0.129546 0.484283 0.141531 P\n0.291111 0.979499 0.270626 P\n0.710270 0.521114 0.229481 P\n0.873233 0.008963 0.356711 P\n0.340533 0.126607 0.000797 P\n0.289730 0.478886 0.770519 P\n0.659467 0.873393 0.999203 P\n0.870454 0.515717 0.858469 P\n0.037806 0.113649 0.699519 O\n0.408072 0.677707 0.633869 O\n0.170486 0.383239 0.651580 O\n0.168926 0.909831 0.732127 O\n0.180642 0.659527 0.471213 O\n0.536670 0.021454 0.745507 O\n0.278693 0.084162 0.613191 O\n0.478960 0.739522 0.458446 O\n0.000791 0.134092 0.464456 O\n0.670547 0.547736 0.551566 O\n0.329453 0.452264 0.448434 O\n0.521040 0.260478 0.541554 O\n0.725166 0.099978 0.634011 O\n0.046976 0.604477 0.205773 O\n0.736938 0.853617 0.685290 O\n0.819358 0.340473 0.528787 O\n0.177823 0.379749 0.214498 O\n0.263062 0.146383 0.314710 O\n0.829514 0.616761 0.348420 O\n0.591928 0.322293 0.366131 O\n0.274834 0.900022 0.365989 O\n0.534103 0.520266 0.244896 O\n0.279778 0.580128 0.111310 O\n0.004437 0.638243 0.964583 O\n0.999209 0.865908 0.535544 O\n0.721307 0.915838 0.386809 O\n0.463330 0.978546 0.254493 O\n0.725846 0.602095 0.134288 O\n0.397305 0.177100 0.132660 O\n0.167939 0.885019 0.151487 O\n0.731557 0.355274 0.180700 O\n0.831074 0.090169 0.267873 O\n0.161065 0.136010 0.965277 O\n0.268443 0.644726 0.819300 O\n0.962194 0.886351 0.300481 O\n0.274154 0.397905 0.865712 O\n0.463897 0.234178 0.956227 O\n0.675562 0.054394 0.048539 O\n0.324438 0.945606 0.951461 O\n0.995563 0.361757 0.035417 O\n0.536103 0.765822 0.043773 O\n0.720222 0.419872 0.888690 O\n0.465897 0.479734 0.755104 O\n0.838935 0.863990 0.034723 O\n0.822177 0.620251 0.785502 O\n0.832061 0.114981 0.848513 O\n0.602695 0.822900 0.867340 O\n0.953024 0.395523 0.794227 O\n",
"nsites": 78,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.413966835639767,
"density_atomic": 0.08712746674728768,
"volume": 895.240076544842,
"volume_molar": 6.911874044802837,
"formula_full": "Li6 Mn12 P12 O48",
"formula_reduced": "LiMn2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -620.53132295,
"energy_per_atom": -7.955529781410257,
"energy_above_hull": null,
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"energy_uncorrected": -567.53932295,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 54.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.751000Z",
"spacegroup": 2
},
{
"id": "mp-849502",
"created_at": "2022-09-04T14:45:13.095778Z",
"structure_string": "Li18 V18 F54\n1.0\n7.030158 0.000000 0.000000\n0.536694 8.049546 0.000000\n2.598585 2.194684 20.766082\nLi V F\n18 18 54\ndirect\n0.730594 0.698304 0.859829 Li\n0.868255 0.310912 0.293665 Li\n0.646388 0.403107 0.654710 Li\n0.731208 0.335812 0.444335 Li\n0.816121 0.998835 0.089826 Li\n0.533251 0.434954 0.798304 Li\n0.381535 0.279929 0.982606 Li\n0.690964 0.042316 0.231368 Li\n0.497486 0.863678 0.412509 Li\n0.502514 0.136322 0.587491 Li\n0.309036 0.957684 0.768632 Li\n0.618465 0.720071 0.017394 Li\n0.466749 0.565046 0.201696 Li\n0.183879 0.001165 0.910174 Li\n0.268792 0.664188 0.555665 Li\n0.353612 0.596893 0.345290 Li\n0.131745 0.689088 0.706335 Li\n0.269406 0.301696 0.140171 Li\n0.893149 0.350915 0.965234 V\n0.945160 0.014653 0.579331 V\n0.799743 0.049591 0.734602 V\n0.993628 0.677580 0.192858 V\n0.749181 0.728108 0.506280 V\n0.599949 0.029970 0.901770 V\n0.860279 0.701945 0.349579 V\n0.604932 0.760361 0.656792 V\n0.787238 0.394293 0.128105 V\n0.212762 0.605707 0.871895 V\n0.395068 0.239639 0.343208 V\n0.139721 0.298055 0.650421 V\n0.400051 0.970030 0.098230 V\n0.250819 0.271892 0.493720 V\n0.006372 0.322420 0.807142 V\n0.200257 0.950409 0.265398 V\n0.054840 0.985347 0.420669 V\n0.106851 0.649085 0.034766 V\n0.992380 0.175540 0.897397 F\n0.922263 0.514000 0.872382 F\n0.902338 0.856124 0.668143 F\n0.795737 0.918946 0.822164 F\n0.965972 0.170772 0.485993 F\n0.848636 0.208726 0.640838 F\n0.656310 0.785493 0.933463 F\n0.958429 0.528747 0.285653 F\n0.730907 0.257449 0.787725 F\n0.835949 0.551482 0.440138 F\n0.908292 0.868959 0.261182 F\n0.634517 0.280148 0.941358 F\n0.723795 0.583412 0.592981 F\n0.782447 0.893251 0.417188 F\n0.670490 0.938716 0.570038 F\n0.507959 0.602916 0.852698 F\n0.538072 0.969263 0.708032 F\n0.594111 0.548066 0.718210 F\n0.875563 0.219832 0.059247 F\n0.811994 0.244958 0.217451 F\n0.676733 0.268390 0.365472 F\n0.822150 0.547530 0.031744 F\n0.726318 0.608190 0.179752 F\n0.389899 0.010891 0.840849 F\n0.535354 0.270093 0.508010 F\n0.652966 0.931099 0.038285 F\n0.433301 0.293745 0.645704 F\n0.566699 0.706255 0.354296 F\n0.347034 0.068901 0.961715 F\n0.464646 0.729907 0.491990 F\n0.610101 0.989109 0.159151 F\n0.273682 0.391810 0.820248 F\n0.177850 0.452470 0.968256 F\n0.323267 0.731610 0.634528 F\n0.188006 0.755042 0.782549 F\n0.124437 0.780168 0.940753 F\n0.405889 0.451934 0.281790 F\n0.461928 0.030737 0.291968 F\n0.492041 0.397084 0.147302 F\n0.329510 0.061284 0.429962 F\n0.217553 0.106749 0.582812 F\n0.276205 0.416588 0.407019 F\n0.365483 0.719852 0.058642 F\n0.091708 0.131041 0.738818 F\n0.164051 0.448518 0.559862 F\n0.269093 0.742551 0.212275 F\n0.041571 0.471253 0.714347 F\n0.343690 0.214507 0.066537 F\n0.151364 0.791274 0.359162 F\n0.034028 0.829228 0.514007 F\n0.204263 0.081054 0.177836 F\n0.097662 0.143876 0.331857 F\n0.077737 0.486000 0.127618 F\n0.007620 0.824460 0.102603 F\n",
"nsites": 90,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 2.9219066297814273,
"density_atomic": 0.07658636770993656,
"volume": 1175.1438629504703,
"volume_molar": 7.8632019510420905,
"formula_full": "Li18 V18 F54",
"formula_reduced": "LiVF3",
"formula_anonymous": "ABC3",
"energy": -569.63064109,
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"band_gap": 1.355,
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"updated_at": "2021-11-28T01:36:53.653000Z",
"spacegroup": 2
},
{
"id": "mp-778403",
"created_at": "2022-09-04T14:44:09.887594Z",
"structure_string": "Li6 Mn12 B12 O36\n1.0\n9.070269 0.000000 0.000000\n4.438062 7.940100 0.000000\n4.238770 2.585871 10.345443\nLi Mn B O\n6 12 12 36\ndirect\n0.339551 0.359074 0.084328 Li\n0.210646 0.176188 0.592902 Li\n0.844080 0.806972 0.348408 Li\n0.676680 0.685131 0.823088 Li\n0.000233 0.021293 0.830202 Li\n0.532534 0.509063 0.322272 Li\n0.621134 0.321400 0.856131 Mn\n0.853917 0.127099 0.370218 Mn\n0.551000 0.179880 0.622920 Mn\n0.027953 0.627439 0.874216 Mn\n0.324417 0.023580 0.870100 Mn\n0.166939 0.471082 0.368429 Mn\n0.839339 0.505843 0.616864 Mn\n0.704460 0.002604 0.111870 Mn\n0.957340 0.369078 0.124789 Mn\n0.458393 0.880999 0.373157 Mn\n0.160343 0.845296 0.614746 Mn\n0.345980 0.696578 0.117194 Mn\n0.304748 0.666838 0.885636 B\n0.501645 0.147462 0.395583 B\n0.169540 0.804881 0.360625 B\n0.179402 0.483152 0.641345 B\n0.695166 0.971979 0.860046 B\n0.961036 0.333892 0.864615 B\n0.031215 0.657765 0.129686 B\n0.328526 0.040942 0.131342 B\n0.859766 0.176181 0.620427 B\n0.796183 0.514534 0.366391 B\n0.501855 0.858215 0.623885 B\n0.666212 0.338834 0.124418 B\n0.759325 0.047932 0.905180 O\n0.804769 0.088906 0.578494 O\n0.371727 0.494939 0.895111 O\n0.542437 0.091523 0.812700 O\n0.151311 0.775115 0.838728 O\n0.574809 0.227312 0.430767 O\n0.342812 0.378333 0.654008 O\n0.602816 0.270257 0.074858 O\n0.286940 0.658820 0.308701 O\n0.417005 0.010695 0.666839 O\n0.089700 0.632131 0.691025 O\n0.984137 0.416168 0.934824 O\n0.329661 0.215658 0.401244 O\n0.998215 0.872060 0.368439 O\n0.096244 0.449754 0.579317 O\n0.769124 0.802226 0.863765 O\n0.193586 0.560084 0.160615 O\n0.070322 0.171489 0.854083 O\n0.816199 0.436030 0.807924 O\n0.220868 0.209665 0.124090 O\n0.918420 0.805256 0.166158 O\n0.890364 0.543234 0.426506 O\n0.025546 0.100304 0.635179 O\n0.659843 0.738712 0.646166 O\n0.986613 0.589469 0.062131 O\n0.611672 0.992461 0.355481 O\n0.889458 0.368897 0.311183 O\n0.738164 0.334146 0.649160 O\n0.373735 0.744622 0.926129 O\n0.631847 0.622089 0.361320 O\n0.413710 0.831840 0.560753 O\n0.473117 0.960656 0.186873 O\n0.827685 0.231683 0.162408 O\n0.581848 0.503520 0.140445 O\n0.233251 0.873259 0.410759 O\n0.307722 0.942707 0.073936 O\n",
"nsites": 66,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.1349345210771693,
"density_atomic": 0.08858265726924491,
"volume": 745.0668340123794,
"volume_molar": 6.798329318227432,
"formula_full": "Li6 Mn12 B12 O36",
"formula_reduced": "LiMn2(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy": -540.30193893,
"energy_per_atom": -8.186393014090909,
"energy_above_hull": null,
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"energy_uncorrected": -495.55393893,
"band_gap": 0.389,
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"updated_at": "2021-11-28T01:36:31.342000Z",
"spacegroup": 1
},
{
"id": "mp-777467",
"created_at": "2022-09-04T14:47:57.966591Z",
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{
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{
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{
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{
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{
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"structure_string": "Li6 Mn12 B12 O36\n1.0\n13.781743 2.647618 0.000000\n-13.781743 2.647618 0.000000\n0.000000 0.262036 10.362216\nLi Mn B O\n6 12 12 36\ndirect\n0.453616 0.778728 0.345246 Li\n0.478947 0.818842 0.815423 Li\n0.871141 0.882177 0.077908 Li\n0.818842 0.478947 0.315423 Li\n0.778728 0.453616 0.845246 Li\n0.882177 0.871141 0.577908 Li\n0.057848 0.284122 0.862908 Mn\n0.287961 0.421223 0.128686 Mn\n0.046588 0.617666 0.617400 Mn\n0.604190 0.698593 0.375824 Mn\n0.284122 0.057848 0.362908 Mn\n0.357153 0.897097 0.871963 Mn\n0.617666 0.046588 0.117400 Mn\n0.421223 0.287961 0.628686 Mn\n0.747640 0.961608 0.617362 Mn\n0.897097 0.357153 0.371963 Mn\n0.698593 0.604190 0.875824 Mn\n0.961608 0.747640 0.117362 Mn\n0.038794 0.270189 0.374980 B\n0.055352 0.607129 0.123158 B\n0.298821 0.395468 0.622263 B\n0.378831 0.931176 0.365081 B\n0.270189 0.038794 0.874980 B\n0.621327 0.749249 0.880440 B\n0.725890 0.933937 0.137005 B\n0.395468 0.298821 0.122263 B\n0.607129 0.055352 0.623158 B\n0.749249 0.621327 0.380440 B\n0.931176 0.378831 0.865081 B\n0.933937 0.725890 0.637005 B\n0.225056 0.234799 0.614166 O\n0.133435 0.314180 0.663690 O\n0.210346 0.363616 0.317923 O\n0.095237 0.416217 0.378880 O\n0.981247 0.521417 0.834250 O\n0.118343 0.486255 0.857682 O\n0.119719 0.679127 0.406618 O\n0.014806 0.803139 0.928250 O\n0.387664 0.541011 0.947493 O\n0.285305 0.806260 0.053870 O\n0.157602 0.955879 0.568170 O\n0.553867 0.658673 0.582396 O\n0.234799 0.225056 0.114166 O\n0.655649 0.774338 0.174087 O\n0.569316 0.861892 0.166300 O\n0.314180 0.133435 0.163690 O\n0.425842 0.948122 0.684500 O\n0.521417 0.981247 0.334250 O\n0.584478 0.939132 0.635228 O\n0.486255 0.118343 0.357682 O\n0.363616 0.210346 0.817923 O\n0.416217 0.095237 0.878880 O\n0.683719 0.890629 0.807094 O\n0.777073 0.818484 0.889321 O\n0.803139 0.014806 0.428250 O\n0.679127 0.119719 0.906618 O\n0.541011 0.387664 0.447493 O\n0.955879 0.157602 0.068170 O\n0.658673 0.553867 0.082396 O\n0.806260 0.285305 0.553870 O\n0.948122 0.425842 0.184500 O\n0.939132 0.584478 0.135228 O\n0.774338 0.655649 0.674087 O\n0.861892 0.569316 0.666300 O\n0.890629 0.683719 0.307094 O\n0.818484 0.777073 0.389321 O\n",
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"density": 3.088741741729774,
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"formula_full": "Li6 Mn12 B12 O36",
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"updated_at": "2021-11-28T01:36:46.397000Z",
"spacegroup": 9
},
{
"id": "mp-1203045",
"created_at": "2022-09-04T14:40:55.935350Z",
"structure_string": "Co18 Te10 Pb12 O60\n1.0\n5.273941 -9.134734 0.000000\n5.273941 9.134734 0.000000\n0.000000 0.000000 13.822250\nCo Te Pb O\n18 10 12 60\ndirect\n0.333333 0.666667 0.380888 Co\n0.666667 0.333333 0.619112 Co\n0.666667 0.333333 0.880888 Co\n0.333333 0.666667 0.119112 Co\n0.169255 0.830745 0.750000 Co\n0.169255 0.338509 0.750000 Co\n0.661491 0.830745 0.750000 Co\n0.830745 0.169255 0.250000 Co\n0.338509 0.169255 0.250000 Co\n0.830745 0.661491 0.250000 Co\n0.000000 0.000000 0.250000 Co\n0.000000 0.000000 0.750000 Co\n0.007813 0.503907 0.750000 Co\n0.496093 0.503907 0.750000 Co\n0.496093 0.992187 0.750000 Co\n0.503907 0.007813 0.250000 Co\n0.503907 0.496093 0.250000 Co\n0.992187 0.496093 0.250000 Co\n0.333333 0.666667 0.596696 Te\n0.666667 0.333333 0.403304 Te\n0.666667 0.333333 0.096696 Te\n0.333333 0.666667 0.903304 Te\n0.166716 0.833284 0.250000 Te\n0.166716 0.333432 0.250000 Te\n0.666568 0.833284 0.250000 Te\n0.833284 0.166716 0.750000 Te\n0.333432 0.166716 0.750000 Te\n0.833284 0.666568 0.750000 Te\n0.266672 0.000000 0.500000 Pb\n0.000000 0.266672 0.500000 Pb\n0.733328 0.733328 0.500000 Pb\n0.733328 0.000000 0.000000 Pb\n0.000000 0.733328 0.000000 Pb\n0.266672 0.266672 0.000000 Pb\n0.389402 0.389402 0.500000 Pb\n0.610598 0.000000 0.500000 Pb\n0.000000 0.610598 0.500000 Pb\n0.610598 0.610598 0.000000 Pb\n0.389402 0.000000 0.000000 Pb\n0.000000 0.389402 0.000000 Pb\n0.334826 0.009820 0.671734 O\n0.990180 0.325006 0.671734 O\n0.674994 0.665174 0.671734 O\n0.009820 0.334826 0.328266 O\n0.325006 0.990180 0.328266 O\n0.665174 0.674994 0.328266 O\n0.665174 0.990180 0.171734 O\n0.009820 0.674994 0.171734 O\n0.325006 0.334826 0.171734 O\n0.990180 0.665174 0.828266 O\n0.674994 0.009820 0.828266 O\n0.334826 0.325006 0.828266 O\n0.170632 0.669071 0.662000 O\n0.330929 0.501561 0.662000 O\n0.498439 0.829368 0.662000 O\n0.669071 0.170632 0.338000 O\n0.501561 0.330929 0.338000 O\n0.829368 0.498439 0.338000 O\n0.829368 0.330929 0.162000 O\n0.669071 0.498439 0.162000 O\n0.501561 0.170632 0.162000 O\n0.330929 0.829368 0.838000 O\n0.498439 0.669071 0.838000 O\n0.170632 0.501561 0.838000 O\n0.168982 0.989556 0.172280 O\n0.010444 0.179426 0.172280 O\n0.820574 0.831018 0.172280 O\n0.989556 0.168982 0.827720 O\n0.179426 0.010444 0.827720 O\n0.831018 0.820574 0.827720 O\n0.831018 0.010444 0.672280 O\n0.989556 0.820574 0.672280 O\n0.179426 0.168982 0.672280 O\n0.010444 0.831018 0.327720 O\n0.820574 0.989556 0.327720 O\n0.168982 0.179426 0.327720 O\n0.326343 0.843378 0.170460 O\n0.156622 0.482965 0.170460 O\n0.517035 0.673657 0.170460 O\n0.843378 0.326343 0.829540 O\n0.482965 0.156622 0.829540 O\n0.673657 0.517035 0.829540 O\n0.673657 0.156622 0.670460 O\n0.843378 0.517035 0.670460 O\n0.482965 0.326343 0.670460 O\n0.156622 0.673657 0.329540 O\n0.517035 0.843378 0.329540 O\n0.326343 0.482965 0.329540 O\n0.347360 0.820442 0.502539 O\n0.179558 0.526918 0.502539 O\n0.473082 0.652640 0.502539 O\n0.820442 0.347360 0.497461 O\n0.526918 0.179558 0.497461 O\n0.652640 0.473082 0.497461 O\n0.652640 0.179558 0.002539 O\n0.820442 0.473082 0.002539 O\n0.526918 0.347360 0.002539 O\n0.179558 0.652640 0.997461 O\n0.473082 0.820442 0.997461 O\n0.347360 0.526918 0.997461 O\n",
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"formula_full": "Co18 Te10 Pb12 O60",
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{
"id": "mp-531365",
"created_at": "2022-09-04T14:42:57.385005Z",
"structure_string": "Li6 Mn16 O32\n1.0\n5.972332 0.000000 0.000000\n0.000000 8.197384 0.000000\n0.000000 0.000000 12.062369\nLi Mn O\n6 16 32\ndirect\n0.500000 0.129667 0.000000 Li\n0.000000 0.628237 0.243420 Li\n0.000000 0.628237 0.756580 Li\n0.500000 0.371763 0.256580 Li\n0.000000 0.870333 0.500000 Li\n0.500000 0.371763 0.743420 Li\n0.000000 0.252278 0.125841 Mn\n0.251687 0.499266 0.000000 Mn\n0.250000 0.000000 0.250000 Mn\n0.500000 0.747722 0.374159 Mn\n0.500000 0.751603 0.121820 Mn\n0.751687 0.500734 0.500000 Mn\n0.750000 0.000000 0.250000 Mn\n0.000000 0.248397 0.378180 Mn\n0.000000 0.248397 0.621820 Mn\n0.248313 0.500734 0.500000 Mn\n0.250000 0.000000 0.750000 Mn\n0.500000 0.751603 0.878180 Mn\n0.500000 0.747722 0.625841 Mn\n0.750000 0.000000 0.750000 Mn\n0.748313 0.499266 0.000000 Mn\n0.000000 0.252278 0.874159 Mn\n0.763196 0.267916 0.000000 O\n0.000000 0.487125 0.110700 O\n0.236804 0.267916 0.000000 O\n0.274146 0.764773 0.238017 O\n0.500000 0.993336 0.140479 O\n0.500000 0.981465 0.354228 O\n0.500000 0.516141 0.113945 O\n0.725854 0.764773 0.238017 O\n0.786765 0.261858 0.500000 O\n0.774146 0.235227 0.261983 O\n0.000000 0.483859 0.613945 O\n0.000000 0.018535 0.145772 O\n0.000000 0.483859 0.386055 O\n0.000000 0.006664 0.359521 O\n0.225854 0.235227 0.261983 O\n0.213235 0.261858 0.500000 O\n0.274146 0.764773 0.761983 O\n0.263196 0.732084 0.500000 O\n0.500000 0.512875 0.389300 O\n0.500000 0.981465 0.645772 O\n0.500000 0.993336 0.859521 O\n0.500000 0.512875 0.610700 O\n0.736804 0.732084 0.500000 O\n0.725854 0.764773 0.761983 O\n0.774146 0.235227 0.738017 O\n0.000000 0.487125 0.889300 O\n0.000000 0.006664 0.640479 O\n0.000000 0.018535 0.854228 O\n0.225854 0.235227 0.738017 O\n0.286765 0.738142 0.000000 O\n0.500000 0.516141 0.886055 O\n0.713235 0.738142 0.000000 O\n",
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"formula_full": "Li6 Mn16 O32",
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"spacegroup": 59
}
]
}