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{
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"results": [
{
"id": "mp-772234",
"created_at": "2022-09-04T14:46:12.470145Z",
"structure_string": "Na4 Li8 Mn4 P4 C4 O28\n1.0\n6.702044 0.000000 0.000000\n-0.079417 8.685289 0.000000\n-0.023530 -0.238941 10.062657\nNa Li Mn P C O\n4 8 4 4 4 28\ndirect\n0.259134 0.083907 0.122222 Na\n0.999300 0.252059 0.376699 Na\n0.998812 0.251676 0.873483 Na\n0.499508 0.748659 0.624559 Na\n0.253033 0.081337 0.623764 Li\n0.478100 0.268634 0.387630 Li\n0.481005 0.268567 0.881836 Li\n0.520240 0.733734 0.117645 Li\n0.978497 0.732679 0.114886 Li\n0.984662 0.736270 0.616312 Li\n0.745601 0.914362 0.374109 Li\n0.748760 0.912874 0.875300 Li\n0.746178 0.357666 0.112922 Mn\n0.744768 0.357325 0.611689 Mn\n0.245881 0.646491 0.386888 Mn\n0.248536 0.644353 0.889846 Mn\n0.254549 0.414627 0.148703 P\n0.248786 0.404749 0.647840 P\n0.744860 0.596918 0.351337 P\n0.749854 0.594084 0.854255 P\n0.748452 0.041161 0.132883 C\n0.756136 0.045226 0.635040 C\n0.258264 0.955107 0.370184 C\n0.256779 0.948183 0.860490 C\n0.277398 0.101151 0.352323 O\n0.274869 0.095301 0.844507 O\n0.751562 0.087990 0.011170 O\n0.750417 0.088622 0.512401 O\n0.743985 0.141266 0.231141 O\n0.737833 0.146177 0.731857 O\n0.063122 0.323343 0.106946 O\n0.432034 0.321976 0.089581 O\n0.062670 0.303410 0.612179 O\n0.429356 0.313754 0.590777 O\n0.270391 0.420556 0.303624 O\n0.734282 0.429374 0.402948 O\n0.269859 0.419887 0.802616 O\n0.733672 0.427262 0.905586 O\n0.253307 0.584186 0.100930 O\n0.752069 0.585689 0.195535 O\n0.233573 0.570020 0.593264 O\n0.765286 0.581880 0.699380 O\n0.563940 0.696463 0.394483 O\n0.930238 0.687683 0.404985 O\n0.568290 0.695603 0.895711 O\n0.933397 0.683882 0.911956 O\n0.244810 0.859832 0.268298 O\n0.241801 0.856553 0.756435 O\n0.251131 0.902184 0.490228 O\n0.252744 0.889031 0.977678 O\n0.749402 0.894983 0.158790 O\n0.778868 0.901289 0.664143 O\n",
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"elements": [
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"Li",
"Mn",
"P",
"C",
"O"
],
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"density": 2.798546728319229,
"density_atomic": 0.08877672617801093,
"volume": 585.7391034642575,
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"formula_full": "Na4 Li8 Mn4 P4 C4 O28",
"formula_reduced": "NaLi2MnPCO7",
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"energy": -378.56618428,
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"updated_at": "2021-11-28T01:37:24.282000Z",
"spacegroup": 1
},
{
"id": "mp-757250",
"created_at": "2022-09-04T14:46:31.282409Z",
"structure_string": "Li12 Mn6 Si12 O36\n1.0\n7.227428 0.000000 0.000000\n0.000000 10.081343 0.000000\n0.000000 0.000000 10.304252\nLi Mn Si O\n12 6 12 36\ndirect\n0.782202 0.243901 0.000000 Li\n0.761480 0.762617 0.000000 Li\n0.286400 0.451752 0.233396 Li\n0.222248 0.041289 0.237689 Li\n0.777752 0.541289 0.262311 Li\n0.713600 0.951752 0.266604 Li\n0.238520 0.262617 0.500000 Li\n0.217798 0.743901 0.500000 Li\n0.713600 0.951752 0.733396 Li\n0.777752 0.541289 0.737689 Li\n0.222248 0.041289 0.762311 Li\n0.286400 0.451752 0.766604 Li\n0.251724 0.246698 0.000000 Mn\n0.981449 0.011883 0.000000 Mn\n0.521829 0.480064 0.000000 Mn\n0.018551 0.511883 0.500000 Mn\n0.478171 0.980064 0.500000 Mn\n0.748276 0.746698 0.500000 Mn\n0.988021 0.527121 0.000000 Si\n0.512807 0.968667 0.000000 Si\n0.024854 0.747539 0.224810 Si\n0.474282 0.748871 0.224992 Si\n0.525718 0.248871 0.275008 Si\n0.975146 0.247539 0.275190 Si\n0.487193 0.468667 0.500000 Si\n0.011979 0.027121 0.500000 Si\n0.975146 0.247539 0.724810 Si\n0.525718 0.248871 0.724992 Si\n0.474282 0.748871 0.775008 Si\n0.024854 0.747539 0.775190 Si\n0.302881 0.025216 0.000000 O\n0.687820 0.068522 0.000000 O\n0.196549 0.469641 0.000000 O\n0.812014 0.428372 0.000000 O\n0.042431 0.188125 0.136425 O\n0.552601 0.862822 0.121344 O\n0.949424 0.630538 0.123546 O\n0.449076 0.309112 0.139338 O\n0.942524 0.888039 0.173297 O\n0.543503 0.602974 0.179019 O\n0.751031 0.256000 0.278545 O\n0.248969 0.756000 0.221455 O\n0.456497 0.102974 0.320981 O\n0.057476 0.388039 0.326703 O\n0.550924 0.809112 0.360662 O\n0.050576 0.130538 0.376454 O\n0.447399 0.362822 0.378656 O\n0.957569 0.688125 0.363575 O\n0.697119 0.525216 0.500000 O\n0.312180 0.568522 0.500000 O\n0.187986 0.928372 0.500000 O\n0.803451 0.969641 0.500000 O\n0.957569 0.688125 0.636425 O\n0.447399 0.362822 0.621344 O\n0.050576 0.130538 0.623546 O\n0.550924 0.809112 0.639338 O\n0.057476 0.388039 0.673297 O\n0.456497 0.102974 0.679019 O\n0.248969 0.756000 0.778545 O\n0.751031 0.256000 0.721455 O\n0.543503 0.602974 0.820981 O\n0.942524 0.888039 0.826703 O\n0.449076 0.309112 0.860662 O\n0.949424 0.630538 0.876454 O\n0.552601 0.862822 0.878656 O\n0.042431 0.188125 0.863575 O\n",
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"elements": [
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"O"
],
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"volume": 750.7902709530147,
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"formula_full": "Li12 Mn6 Si12 O36",
"formula_reduced": "Li2Mn(SiO3)2",
"formula_anonymous": "AB2C2D6",
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"updated_at": "2021-11-28T01:37:36.345000Z",
"spacegroup": 31
},
{
"id": "mp-1045358",
"created_at": "2022-09-04T14:46:27.081193Z",
"structure_string": "Li2 Cr4 S8\n1.0\n0.000000 4.997508 4.997508\n4.997508 0.000000 4.997508\n4.997508 4.997508 0.000000\nLi Cr S\n2 4 8\ndirect\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Li\n0.625000 0.125000 0.125000 Cr\n0.125000 0.125000 0.625000 Cr\n0.125000 0.125000 0.125000 Cr\n0.125000 0.625000 0.125000 Cr\n0.906805 0.364398 0.364398 S\n0.364398 0.364398 0.906805 S\n0.364398 0.364398 0.364398 S\n0.343195 0.885602 0.885602 S\n0.885602 0.343195 0.885602 S\n0.885602 0.885602 0.343195 S\n0.364398 0.906805 0.364398 S\n0.885602 0.885602 0.885602 S\n",
"nsites": 14,
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"elements": [
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],
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"volume": 249.62638627096902,
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"formula_full": "Li2 Cr4 S8",
"formula_reduced": "Li(CrS2)2",
"formula_anonymous": "AB2C4",
"energy": -90.72529678,
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"spacegroup": 227
},
{
"id": "mp-1368182",
"created_at": "2022-09-04T14:48:21.275849Z",
"structure_string": "Li3 Ni5 O1 F11\n1.0\n-5.103521 0.000000 0.000000\n2.487604 4.896842 0.000000\n-0.087809 -2.754472 -8.467618\nLi Ni O F\n3 5 1 11\ndirect\n0.520016 0.533038 0.500516 Li\n0.762260 0.265197 0.258584 Li\n0.295426 0.793253 0.767420 Li\n0.457929 0.747767 0.149085 Ni\n0.979482 0.991827 0.996697 Ni\n0.961043 0.276364 0.647710 Ni\n0.217167 0.014388 0.407154 Ni\n0.681767 0.510487 0.903497 Ni\n0.559841 0.755691 0.957168 O\n0.436381 0.842356 0.348834 F\n0.503135 0.399388 0.299165 F\n0.005195 0.916753 0.789437 F\n0.430598 0.147925 0.043448 F\n0.948595 0.657831 0.539012 F\n0.933283 0.350090 0.851830 F\n0.008559 0.589250 0.104704 F\n0.037707 0.241704 0.452232 F\n0.917205 0.003984 0.206795 F\n0.403319 0.492243 0.698947 F\n0.515732 0.094866 0.602642 F\n",
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"formula_full": "Li3 Ni5 O1 F11",
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"spacegroup": 1
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{
"id": "mp-1195634",
"created_at": "2022-09-04T14:40:34.044443Z",
"structure_string": "Cs2 Na4 Mn6 P8 Cl2 O28\n1.0\n2.674957 10.804053 0.000000\n-2.674957 10.804053 0.000000\n0.000000 6.698169 12.376590\nCs Na Mn P Cl O\n2 4 6 8 2 28\ndirect\n0.500000 0.500000 0.000000 Cs\n0.500000 0.500000 0.500000 Cs\n0.255378 0.303551 0.152752 Na\n0.696449 0.744622 0.347248 Na\n0.744622 0.696449 0.847248 Na\n0.303551 0.255378 0.652752 Na\n0.676728 0.641519 0.152266 Mn\n0.358481 0.323272 0.347734 Mn\n0.323272 0.358481 0.847734 Mn\n0.641519 0.676728 0.652266 Mn\n0.941048 0.058952 0.250000 Mn\n0.058952 0.941048 0.750000 Mn\n0.174292 0.142265 0.005815 P\n0.857735 0.825708 0.494185 P\n0.825708 0.857735 0.994185 P\n0.142265 0.174292 0.505815 P\n0.873930 0.883677 0.175616 P\n0.116323 0.126071 0.324384 P\n0.126070 0.116323 0.824384 P\n0.883677 0.873930 0.675616 P\n0.463014 0.536986 0.250000 Cl\n0.536986 0.463014 0.750000 Cl\n0.947263 0.963220 0.153064 O\n0.036780 0.052737 0.346936 O\n0.052737 0.036780 0.846936 O\n0.963220 0.947263 0.653064 O\n0.076754 0.142613 0.947117 O\n0.857387 0.923246 0.552883 O\n0.923246 0.857387 0.052883 O\n0.142613 0.076754 0.447117 O\n0.906591 0.413683 0.282523 O\n0.586317 0.093409 0.217477 O\n0.093409 0.586317 0.717477 O\n0.413683 0.906591 0.782523 O\n0.982580 0.255939 0.111077 O\n0.744061 0.017420 0.388923 O\n0.017420 0.744061 0.888923 O\n0.255939 0.982580 0.611077 O\n0.457054 0.859684 0.024482 O\n0.140316 0.542946 0.475518 O\n0.542946 0.140316 0.975518 O\n0.859684 0.457054 0.524482 O\n0.053459 0.616867 0.243051 O\n0.383133 0.946541 0.256949 O\n0.946541 0.383133 0.756949 O\n0.616867 0.053459 0.743051 O\n0.857921 0.680813 0.071534 O\n0.319187 0.142079 0.428466 O\n0.142079 0.319187 0.928466 O\n0.680813 0.857921 0.571534 O\n",
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"formula_full": "Cs2 Na4 Mn6 P8 Cl2 O28",
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{
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"structure_string": "Fe6 F18\n1.0\n3.744705 -6.425817 0.000000\n3.744705 6.425817 0.000000\n0.000000 0.000000 7.622876\nFe F\n6 18\ndirect\n0.000000 0.500000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.790095 0.583288 0.044374 F\n0.209905 0.416712 0.955626 F\n0.209905 0.416712 0.544374 F\n0.790095 0.583288 0.455626 F\n0.583288 0.790095 0.955626 F\n0.416712 0.209905 0.044374 F\n0.416712 0.209905 0.455626 F\n0.583288 0.790095 0.544374 F\n0.785044 0.214956 0.547777 F\n0.214956 0.785044 0.452223 F\n0.214956 0.785044 0.047777 F\n0.785044 0.214956 0.952223 F\n0.994337 0.430190 0.250000 F\n0.005663 0.569810 0.750000 F\n0.430190 0.994337 0.750000 F\n0.569810 0.005663 0.250000 F\n0.538305 0.461695 0.750000 F\n0.461695 0.538305 0.250000 F\n",
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"formula_full": "Fe6 F18",
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{
"id": "mp-759811",
"created_at": "2022-09-04T14:40:36.198669Z",
"structure_string": "Li4 V2 Cr2 P4 H4 O20\n1.0\n6.949215 0.000000 0.000000\n-3.376907 6.563734 0.000000\n-0.376817 -0.354800 7.957110\nLi V Cr P H O\n4 2 2 4 4 20\ndirect\n0.073059 0.822246 0.674371 Li\n0.428601 0.177179 0.825262 Li\n0.571399 0.822821 0.174738 Li\n0.926941 0.177754 0.325629 Li\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 V\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.479116 0.767018 0.841705 P\n0.017846 0.232572 0.658387 P\n0.982154 0.767428 0.341613 P\n0.520884 0.232982 0.158295 P\n0.790505 0.659188 0.849222 H\n0.290904 0.663047 0.349326 H\n0.709096 0.336953 0.650674 H\n0.209495 0.340812 0.150778 H\n0.323123 0.658158 0.980497 O\n0.113295 0.119733 0.773228 O\n0.385334 0.879528 0.725587 O\n0.686791 0.926039 0.941072 O\n0.189089 0.927938 0.441035 O\n0.534296 0.618859 0.738716 O\n0.175114 0.342822 0.519671 O\n0.034398 0.618713 0.238128 O\n0.943203 0.722595 0.895396 O\n0.444425 0.728203 0.392931 O\n0.555575 0.271797 0.607069 O\n0.056797 0.277405 0.104604 O\n0.965602 0.381287 0.761872 O\n0.824886 0.657178 0.480329 O\n0.465704 0.381141 0.261284 O\n0.810911 0.072062 0.558965 O\n0.313209 0.073961 0.058928 O\n0.614666 0.120472 0.274413 O\n0.886705 0.880267 0.226772 O\n0.676877 0.341842 0.019503 O\n",
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{
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{
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{
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{
"id": "mp-859873",
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"structure_string": "Li2 Mn2 F6\n1.0\n2.953601 -5.115788 0.000000\n2.953601 5.115788 0.000000\n0.000000 0.000000 5.897964\nLi Mn F\n2 2 6\ndirect\n0.333333 0.666667 0.750000 Li\n0.666667 0.333333 0.250000 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.154403 0.845597 0.750000 F\n0.154403 0.308806 0.750000 F\n0.308806 0.154403 0.250000 F\n0.691194 0.845597 0.750000 F\n0.845597 0.691194 0.250000 F\n0.845597 0.154403 0.250000 F\n",
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{
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"structure_string": "Na2 Mn6 P6 H4 O24\n1.0\n6.269684 6.147908 0.000000\n-6.269684 6.147908 0.000000\n0.000000 2.811149 6.134751\nNa Mn P H O\n2 6 6 4 24\ndirect\n0.976868 0.023132 0.750000 Na\n0.023132 0.976868 0.250000 Na\n0.626711 0.949550 0.127962 Mn\n0.050450 0.373289 0.372038 Mn\n0.283083 0.716917 0.750000 Mn\n0.716917 0.283083 0.250000 Mn\n0.373289 0.050450 0.872038 Mn\n0.949550 0.626711 0.627962 Mn\n0.323202 0.103463 0.388562 P\n0.103463 0.323202 0.888562 P\n0.678575 0.321425 0.750000 P\n0.321425 0.678575 0.250000 P\n0.896537 0.676798 0.111438 P\n0.676798 0.896537 0.611438 P\n0.370712 0.381715 0.811542 H\n0.618285 0.629288 0.688458 H\n0.629288 0.618285 0.188458 H\n0.381715 0.370712 0.311542 H\n0.562179 0.737299 0.652997 O\n0.847608 0.851900 0.597349 O\n0.851900 0.847608 0.097349 O\n0.152392 0.148100 0.402651 O\n0.609432 0.963726 0.801222 O\n0.036274 0.390568 0.698778 O\n0.390568 0.036274 0.198778 O\n0.963726 0.609432 0.301222 O\n0.262701 0.437821 0.847003 O\n0.148100 0.152392 0.902651 O\n0.786687 0.286182 0.542308 O\n0.713818 0.213313 0.957692 O\n0.213313 0.713818 0.457692 O\n0.286182 0.786687 0.042308 O\n0.289103 0.499774 0.264973 O\n0.500226 0.710897 0.235027 O\n0.710897 0.500226 0.735027 O\n0.737299 0.562179 0.152997 O\n0.982721 0.323199 0.107852 O\n0.676801 0.017279 0.392148 O\n0.017279 0.676801 0.892148 O\n0.323199 0.982721 0.607852 O\n0.437821 0.262701 0.347003 O\n0.499774 0.289103 0.764973 O\n",
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}