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{
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{
"id": "mp-759195",
"created_at": "2022-09-04T14:43:05.721659Z",
"structure_string": "Na8 Co4 O12\n1.0\n4.969781 2.963645 -0.374000\n-1.599928 5.929214 6.016024\n3.368941 -2.960829 5.637132\nNa Co O\n8 4 12\ndirect\n0.750001 0.250002 0.249999 Na\n0.249998 0.750000 0.750002 Na\n0.000012 0.999994 0.000000 Na\n0.499988 0.500006 0.499999 Na\n0.890197 0.461434 0.812953 Na\n0.390196 0.961428 0.312953 Na\n0.109805 0.538572 0.187048 Na\n0.609803 0.038565 0.687046 Na\n0.125339 0.211665 0.548903 Co\n0.374662 0.288334 0.951098 Co\n0.625337 0.711665 0.048897 Co\n0.874660 0.788336 0.451101 Co\n0.370353 0.835333 0.040547 O\n0.870367 0.335328 0.540549 O\n0.629633 0.164672 0.959452 O\n0.129647 0.664668 0.459452 O\n0.892551 0.747595 0.940102 O\n0.392577 0.247599 0.440115 O\n0.668875 0.523583 0.163737 O\n0.168873 0.023568 0.663741 O\n0.331128 0.476432 0.836259 O\n0.831124 0.976416 0.336263 O\n0.107424 0.252401 0.059887 O\n0.607449 0.752405 0.559896 O\n",
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"formula_full": "Na8 Co4 O12",
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"spacegroup": 12
},
{
"id": "mp-760370",
"created_at": "2022-09-04T14:43:05.678563Z",
"structure_string": "Bi24 O20 F32\n1.0\n5.771750 0.000000 0.000000\n0.000000 5.867034 0.000000\n0.000000 0.088775 34.512627\nBi O F\n24 20 32\ndirect\n0.747359 0.717178 0.000179 Bi\n0.752641 0.717178 0.500179 Bi\n0.290849 0.727142 0.251374 Bi\n0.209151 0.727142 0.751374 Bi\n0.732335 0.713012 0.335401 Bi\n0.796474 0.705867 0.665450 Bi\n0.767665 0.713012 0.835401 Bi\n0.703526 0.705867 0.165450 Bi\n0.273512 0.706576 0.082399 Bi\n0.281942 0.707152 0.417181 Bi\n0.226488 0.706576 0.582399 Bi\n0.218058 0.707152 0.917181 Bi\n0.781942 0.292848 0.082819 Bi\n0.726488 0.293424 0.917601 Bi\n0.718058 0.292848 0.582819 Bi\n0.773512 0.293424 0.417601 Bi\n0.232335 0.286988 0.164599 Bi\n0.296474 0.294133 0.834550 Bi\n0.267665 0.286988 0.664599 Bi\n0.203526 0.294133 0.334550 Bi\n0.709151 0.272858 0.748626 Bi\n0.790849 0.272858 0.248626 Bi\n0.247359 0.282822 0.499821 Bi\n0.252641 0.282822 0.999821 Bi\n0.013209 0.524018 0.289783 O\n0.486791 0.524018 0.789783 O\n0.509355 0.521249 0.873906 O\n0.509435 0.515791 0.627047 O\n0.990645 0.521249 0.373906 O\n0.990565 0.515791 0.127047 O\n0.483190 0.508346 0.541985 O\n0.016810 0.508346 0.041985 O\n0.017496 0.509819 0.457788 O\n0.482504 0.509819 0.957788 O\n0.982504 0.490181 0.542212 O\n0.516810 0.491654 0.458015 O\n0.517496 0.490181 0.042212 O\n0.983190 0.491654 0.958015 O\n0.009435 0.484209 0.872953 O\n0.009355 0.478751 0.626094 O\n0.490565 0.484209 0.372953 O\n0.490645 0.478751 0.126094 O\n0.513209 0.475982 0.210217 O\n0.986791 0.475982 0.710217 O\n0.429765 0.965219 0.035932 F\n0.432272 0.971671 0.463246 F\n0.070235 0.965219 0.535932 F\n0.067728 0.971671 0.963246 F\n0.614507 0.923626 0.110441 F\n0.629782 0.920639 0.389917 F\n0.885493 0.923626 0.610441 F\n0.870218 0.920639 0.889917 F\n0.350134 0.890609 0.181057 F\n0.354253 0.872225 0.314833 F\n0.145747 0.872225 0.814833 F\n0.149866 0.890609 0.681057 F\n0.664553 0.883574 0.251701 F\n0.835447 0.883574 0.751701 F\n0.488796 0.538977 0.709196 F\n0.011204 0.538977 0.209196 F\n0.511204 0.461023 0.290804 F\n0.988796 0.461023 0.790804 F\n0.335447 0.116426 0.748299 F\n0.164553 0.116426 0.248299 F\n0.854253 0.127775 0.185167 F\n0.649866 0.109391 0.818943 F\n0.850134 0.109391 0.318943 F\n0.645747 0.127775 0.685167 F\n0.370218 0.079361 0.610083 F\n0.129782 0.079361 0.110083 F\n0.385493 0.076374 0.889559 F\n0.114507 0.076374 0.389559 F\n0.932272 0.028329 0.036754 F\n0.929765 0.034781 0.464068 F\n0.567728 0.028329 0.536754 F\n0.570235 0.034781 0.964068 F\n",
"nsites": 76,
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"elements": [
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"O",
"F"
],
"chemical_system": "Bi-F-O",
"density": 8.444710824074445,
"density_atomic": 0.06502935671531791,
"volume": 1168.7029341641621,
"volume_molar": 9.260649442317892,
"formula_full": "Bi24 O20 F32",
"formula_reduced": "Bi6O5F8",
"formula_anonymous": "A5B6C8",
"energy": -430.10285782,
"energy_per_atom": -5.659248129210527,
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"band_gap": 2.9616,
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"updated_at": "2021-11-28T01:35:56.472000Z",
"spacegroup": 14
},
{
"id": "mp-1224954",
"created_at": "2022-09-04T14:43:05.737594Z",
"structure_string": "Fe4 Si4 W4\n1.0\n2.461362 -4.037512 0.000000\n2.461362 4.037512 0.000000\n0.000000 0.000000 7.647978\nFe Si W\n4 4 4\ndirect\n0.170685 0.829315 0.000000 Fe\n0.651593 0.827864 0.000000 Fe\n0.172136 0.348407 0.000000 Fe\n0.851897 0.148103 0.500000 Fe\n0.355340 0.164077 0.500000 Si\n0.835923 0.644660 0.500000 Si\n0.988634 0.011366 0.236742 Si\n0.988634 0.011366 0.763258 Si\n0.330835 0.669165 0.310098 W\n0.662195 0.337805 0.182353 W\n0.662195 0.337805 0.817647 W\n0.330835 0.669165 0.689902 W\n",
"nsites": 12,
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"elements": [
"Fe",
"Si",
"W"
],
"chemical_system": "Fe-Si-W",
"density": 11.700539178316296,
"density_atomic": 0.0789433047225879,
"volume": 152.00782437685893,
"volume_molar": 7.628437625156697,
"formula_full": "Fe4 Si4 W4",
"formula_reduced": "FeSiW",
"formula_anonymous": "ABC",
"energy": -110.22251613,
"energy_per_atom": -9.1852096775,
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"updated_at": "2021-11-28T01:35:55.442000Z",
"spacegroup": 38
},
{
"id": "mp-1247588",
"created_at": "2022-09-04T14:43:05.695328Z",
"structure_string": "Sr4 Ca28 Mn24 Cr8 O84\n1.0\n10.996254 -0.053083 -0.115032\n-0.070716 15.514679 -0.003859\n-0.111427 -0.001126 10.990452\nSr Ca Mn Cr O\n4 28 24 8 84\ndirect\n0.000213 0.114537 0.503938 Sr\n0.509501 0.384950 0.986207 Sr\n0.238062 0.386667 0.246079 Sr\n0.228677 0.119931 0.238379 Sr\n0.995360 0.108129 0.004043 Ca\n0.008927 0.624367 0.509488 Ca\n0.014145 0.622398 0.991874 Ca\n0.545287 0.126198 0.479110 Ca\n0.546382 0.128934 0.986806 Ca\n0.530321 0.630079 0.511118 Ca\n0.532893 0.621781 0.974240 Ca\n0.502161 0.380779 0.515551 Ca\n0.517682 0.859892 0.986296 Ca\n0.494298 0.866994 0.510269 Ca\n0.963692 0.388221 0.006335 Ca\n0.957711 0.387989 0.500225 Ca\n0.956150 0.879762 0.999143 Ca\n0.968794 0.871622 0.508942 Ca\n0.232959 0.405351 0.760143 Ca\n0.226889 0.887789 0.271525 Ca\n0.218869 0.871663 0.737490 Ca\n0.752852 0.383080 0.250693 Ca\n0.734191 0.385368 0.749137 Ca\n0.763484 0.869433 0.256665 Ca\n0.739666 0.865622 0.750154 Ca\n0.222704 0.109704 0.741035 Ca\n0.236942 0.625918 0.260654 Ca\n0.267596 0.630349 0.737973 Ca\n0.776812 0.118011 0.251678 Ca\n0.781822 0.118014 0.753027 Ca\n0.781696 0.621470 0.252596 Ca\n0.772248 0.623286 0.756807 Ca\n0.001737 0.502230 0.251225 Mn\n0.995484 0.500467 0.754063 Mn\n0.507132 0.982541 0.233418 Mn\n0.507870 0.990574 0.736953 Mn\n0.507540 0.496456 0.245273 Mn\n0.496044 0.503131 0.746259 Mn\n0.251432 0.520755 0.007778 Mn\n0.236374 0.497952 0.510071 Mn\n0.742974 0.999602 0.996871 Mn\n0.744831 0.997407 0.497200 Mn\n0.752177 0.504122 0.999746 Mn\n0.744641 0.504789 0.501184 Mn\n0.258893 0.755721 0.974122 Mn\n0.249558 0.751816 0.498126 Mn\n0.756197 0.249568 0.003205 Mn\n0.750716 0.249954 0.502358 Mn\n0.753828 0.745979 0.000045 Mn\n0.753550 0.746267 0.505232 Mn\n0.997674 0.750558 0.261390 Mn\n0.997083 0.750026 0.748981 Mn\n0.515398 0.258010 0.257271 Mn\n0.516233 0.248220 0.748860 Mn\n0.520836 0.748619 0.263284 Mn\n0.503315 0.747483 0.748195 Mn\n0.994049 0.996449 0.252115 Cr\n0.994981 0.993564 0.754275 Cr\n0.238666 0.992149 0.012034 Cr\n0.239384 0.998227 0.516979 Cr\n0.266779 0.233326 0.940513 Cr\n0.269481 0.241256 0.459157 Cr\n0.982961 0.253720 0.265537 Cr\n0.988277 0.256681 0.768370 Cr\n0.099402 0.770265 0.607418 O\n0.590068 0.254927 0.095302 O\n0.587587 0.252790 0.587317 O\n0.596181 0.754071 0.108689 O\n0.603879 0.763049 0.604447 O\n0.395476 0.192841 0.359375 O\n0.394670 0.185145 0.854198 O\n0.406402 0.696228 0.359775 O\n0.409591 0.730226 0.897359 O\n0.905087 0.243023 0.416038 O\n0.920302 0.237008 0.923507 O\n0.893502 0.730523 0.406599 O\n0.897480 0.732872 0.900655 O\n0.152204 0.248559 0.332158 O\n0.172402 0.252707 0.806689 O\n0.158993 0.749563 0.335985 O\n0.144948 0.735269 0.847104 O\n0.660557 0.223751 0.353679 O\n0.661890 0.226241 0.855045 O\n0.658000 0.720991 0.355572 O\n0.649480 0.727552 0.855286 O\n0.357061 0.766743 0.643544 O\n0.853710 0.278002 0.148654 O\n0.858432 0.279145 0.650882 O\n0.865856 0.770097 0.140780 O\n0.853473 0.770634 0.646950 O\n0.359879 0.517533 0.158609 O\n0.353238 0.494438 0.639129 O\n0.352151 0.002535 0.161619 O\n0.349484 0.996415 0.669274 O\n0.859627 0.485606 0.144059 O\n0.855008 0.480203 0.645917 O\n0.845876 0.978170 0.139968 O\n0.845133 0.977342 0.643475 O\n0.144874 0.009898 0.364215 O\n0.149337 0.003098 0.860699 O\n0.149174 0.510525 0.357152 O\n0.147529 0.527308 0.859313 O\n0.629991 0.024019 0.344913 O\n0.630799 0.030691 0.847199 O\n0.624808 0.530852 0.362555 O\n0.640916 0.516204 0.857802 O\n0.387395 0.512884 0.898150 O\n0.879216 0.012842 0.388100 O\n0.884025 0.011647 0.894790 O\n0.891373 0.519729 0.388929 O\n0.892660 0.518466 0.896050 O\n0.110825 0.482712 0.103897 O\n0.096564 0.475090 0.616657 O\n0.099568 0.974241 0.108443 O\n0.101196 0.975211 0.612209 O\n0.614551 0.493807 0.109252 O\n0.602542 0.490064 0.609575 O\n0.589718 0.992177 0.081041 O\n0.589394 0.994452 0.582298 O\n0.002289 0.380679 0.285446 O\n0.015635 0.380815 0.801410 O\n0.998884 0.872084 0.290915 O\n0.003160 0.870096 0.793474 O\n0.472191 0.381519 0.297763 O\n0.489553 0.375060 0.759843 O\n0.477425 0.869537 0.293076 O\n0.518730 0.871969 0.780261 O\n0.487458 0.626404 0.719400 O\n0.993850 0.128512 0.217232 O\n0.000891 0.127773 0.730273 O\n0.005896 0.628401 0.215299 O\n0.985659 0.624888 0.715758 O\n0.218397 0.134829 0.016437 O\n0.238378 0.131414 0.537148 O\n0.225927 0.654606 0.054747 O\n0.229856 0.626232 0.523692 O\n0.753598 0.124116 0.038439 O\n0.754103 0.123878 0.539018 O\n0.748250 0.625510 0.037306 O\n0.746380 0.625621 0.545394 O\n0.280950 0.359562 0.499190 O\n0.290889 0.327526 0.024566 O\n0.283489 0.880722 0.473258 O\n0.295214 0.875887 0.988999 O\n0.738198 0.379370 0.464470 O\n0.748675 0.377309 0.966056 O\n0.743886 0.871566 0.464786 O\n0.739328 0.872403 0.965955 O\n",
"nsites": 148,
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"elements": [
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"Mn",
"Cr",
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],
"chemical_system": "Ca-Cr-Mn-O-Sr",
"density": 4.031044309934764,
"density_atomic": 0.07894311207434326,
"volume": 1874.7677423791406,
"volume_molar": 7.628456241158514,
"formula_full": "Sr4 Ca28 Mn24 Cr8 O84",
"formula_reduced": "SrCa7Mn6Cr2O21",
"formula_anonymous": "AB2C6D7E21",
"energy": -1151.13187198,
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"updated_at": "2021-11-28T01:35:54.329000Z",
"spacegroup": 1
},
{
"id": "mp-1030534",
"created_at": "2022-09-04T14:43:05.764159Z",
"structure_string": "Te4 Mo2 W2 Se2 S2\n1.0\n1.699016 -2.942782 0.000000\n1.699016 2.942782 0.000000\n0.000000 0.000000 40.802679\nTe Mo W Se S\n4 2 2 2 2\ndirect\n0.333333 0.666667 0.705663 Te\n0.666667 0.333333 0.421897 Te\n0.666667 0.333333 0.513714 Te\n0.333333 0.666667 0.613324 Te\n0.333333 0.666667 0.093829 Mo\n0.333333 0.666667 0.467805 Mo\n0.666667 0.333333 0.281776 W\n0.666667 0.333333 0.659498 W\n0.666667 0.333333 0.053415 Se\n0.666667 0.333333 0.134226 Se\n0.333333 0.666667 0.318724 S\n0.333333 0.666667 0.244877 S\n",
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],
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"volume": 408.0132192339573,
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"formula_full": "Te4 Mo2 W2 Se2 S2",
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"spacegroup": 156
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{
"id": "mp-972204",
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"structure_string": "V2 Mo1 Ru1\n1.0\n0.000000 3.039306 3.039306\n3.039306 0.000000 3.039306\n3.039306 3.039306 0.000000\nV Mo Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 V\n0.750000 0.750000 0.750000 V\n0.500000 0.500000 0.500000 Mo\n0.000000 0.000000 0.000000 Ru\n",
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"formula_full": "V2 Mo1 Ru1",
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{
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},
{
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"structure_string": "Ti1 Mn3 Ni2 P6 O24\n1.0\n8.408322 -0.110247 -0.077816\n4.139254 7.319741 -0.077817\n4.139254 2.378302 6.923031\nTi Mn Ni P O\n1 3 2 6 24\ndirect\n0.856767 0.856767 0.856767 Ti\n0.143226 0.143226 0.143226 Mn\n0.358434 0.358434 0.358434 Mn\n0.642479 0.642479 0.642479 Mn\n0.000519 0.000519 0.000519 Ni\n0.501300 0.501300 0.501300 Ni\n0.749578 0.452589 0.044378 P\n0.044378 0.749578 0.452589 P\n0.452589 0.044378 0.749578 P\n0.251681 0.543754 0.956639 P\n0.543754 0.956639 0.251681 P\n0.956639 0.251681 0.543754 P\n0.115572 0.316072 0.508737 O\n0.316072 0.508737 0.115572 O\n0.061557 0.911331 0.253562 O\n0.508737 0.115572 0.316072 O\n0.993632 0.820896 0.614587 O\n0.244399 0.589689 0.446403 O\n0.253562 0.061557 0.911331 O\n0.446403 0.244399 0.589689 O\n0.185350 0.385660 0.992512 O\n0.589689 0.446403 0.244399 O\n0.089901 0.744757 0.938142 O\n0.385660 0.992512 0.185350 O\n0.614587 0.993632 0.820896 O\n0.911331 0.253562 0.061557 O\n0.411305 0.560565 0.754923 O\n0.820896 0.614587 0.993632 O\n0.560565 0.754923 0.411305 O\n0.744757 0.938142 0.089901 O\n0.754923 0.411305 0.560565 O\n0.992512 0.185350 0.385660 O\n0.488841 0.886948 0.683311 O\n0.938142 0.089901 0.744757 O\n0.683311 0.488841 0.886948 O\n0.886948 0.683311 0.488841 O\n",
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"formula_full": "Ti1 Mn3 Ni2 P6 O24",
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},
{
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"structure_string": "Ga6 P12 O54\n1.0\n17.151760 0.000000 0.000000\n0.000000 9.023775 0.000000\n0.000000 4.499023 7.858804\nGa P O\n6 12 54\ndirect\n0.999560 0.333256 0.333235 Ga\n0.499560 0.666744 0.666765 Ga\n0.084910 0.001098 0.994361 Ga\n0.584910 0.998902 0.005639 Ga\n0.279366 0.332999 0.332721 Ga\n0.779366 0.667001 0.667279 Ga\n0.136946 0.111626 0.274476 P\n0.137660 0.274476 0.613191 P\n0.137030 0.612281 0.112601 P\n0.636946 0.888374 0.725524 P\n0.637660 0.725524 0.386809 P\n0.637030 0.387719 0.887399 P\n0.417896 0.044595 0.540555 P\n0.418144 0.541462 0.416325 P\n0.417376 0.415825 0.041998 P\n0.917896 0.955405 0.459445 P\n0.918144 0.458538 0.583675 P\n0.917376 0.584175 0.958002 P\n0.213229 0.250177 0.536373 O\n0.213007 0.537684 0.212712 O\n0.213092 0.211956 0.248009 O\n0.713229 0.749823 0.463627 O\n0.713007 0.462316 0.787288 O\n0.713092 0.788044 0.751991 O\n0.641460 0.030288 0.534608 O\n0.640922 0.533351 0.436901 O\n0.641070 0.436640 0.029310 O\n0.141460 0.969712 0.465392 O\n0.140922 0.466649 0.563099 O\n0.141070 0.563360 0.970690 O\n0.062540 0.217908 0.238652 O\n0.062538 0.236774 0.545384 O\n0.062375 0.543144 0.218279 O\n0.562540 0.782092 0.761348 O\n0.562538 0.763226 0.454616 O\n0.562375 0.456856 0.781721 O\n0.143997 0.159753 0.806365 O\n0.141755 0.806350 0.036580 O\n0.140697 0.032970 0.158166 O\n0.643997 0.840247 0.193635 O\n0.641755 0.193650 0.963420 O\n0.640697 0.967030 0.841834 O\n0.928751 0.132326 0.441445 O\n0.928821 0.443213 0.423988 O\n0.928687 0.423213 0.131663 O\n0.428751 0.867674 0.558555 O\n0.428821 0.556787 0.576012 O\n0.428687 0.576787 0.868337 O\n0.341410 0.123404 0.447648 O\n0.341529 0.449154 0.427784 O\n0.341211 0.427774 0.123319 O\n0.841410 0.876596 0.552352 O\n0.841529 0.550846 0.572216 O\n0.841211 0.572226 0.876681 O\n0.410524 0.026862 0.722017 O\n0.410729 0.722504 0.253413 O\n0.413623 0.253015 0.023452 O\n0.910524 0.973138 0.277983 O\n0.910729 0.277496 0.746587 O\n0.913623 0.746985 0.976548 O\n0.490827 0.151828 0.441567 O\n0.490911 0.443897 0.403082 O\n0.490306 0.406269 0.151241 O\n0.990827 0.848172 0.558433 O\n0.990911 0.556103 0.596918 O\n0.990306 0.593731 0.848759 O\n0.497884 0.124227 0.823142 O\n0.497319 0.838633 0.031001 O\n0.498898 0.024925 0.143048 O\n0.997884 0.875773 0.176858 O\n0.997319 0.161367 0.968999 O\n0.998898 0.975075 0.856952 O\n",
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"formula_full": "Ga6 P12 O54",
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{
"id": "mp-757178",
"created_at": "2022-09-04T14:43:05.817104Z",
"structure_string": "Li12 Mn2 Co2 P4 C4 O28\n1.0\n0.458638 4.990775 6.515387\n-0.464581 -4.992865 6.517216\n8.546328 0.113711 -0.003843\nLi Mn Co P C O\n12 2 2 4 4 28\ndirect\n0.521155 0.730487 0.102185 Li\n0.019604 0.228919 0.102461 Li\n0.479277 0.270845 0.894765 Li\n0.979391 0.770467 0.895431 Li\n0.141537 0.875126 0.271548 Li\n0.641989 0.378075 0.270633 Li\n0.371303 0.108832 0.270818 Li\n0.876072 0.608051 0.271399 Li\n0.627607 0.892873 0.727009 Li\n0.126141 0.393016 0.729224 Li\n0.857015 0.122395 0.727004 Li\n0.357273 0.624100 0.730171 Li\n0.234691 0.015416 0.659926 Mn\n0.734917 0.515012 0.659650 Mn\n0.272275 0.479470 0.336089 Co\n0.768843 0.981266 0.331839 Co\n0.490385 0.760422 0.408131 P\n0.989872 0.259428 0.408621 P\n0.507614 0.242272 0.587288 P\n0.007054 0.742780 0.588222 P\n0.715947 0.034092 0.040982 C\n0.216205 0.533430 0.042473 C\n0.286261 0.963320 0.963925 C\n0.786682 0.463782 0.963926 C\n0.840384 0.909569 0.068004 O\n0.341227 0.408893 0.068097 O\n0.319763 0.929209 0.106620 O\n0.820594 0.430106 0.106626 O\n0.625671 0.124451 0.163597 O\n0.125247 0.622857 0.165366 O\n0.458153 0.292326 0.422615 O\n0.956101 0.794298 0.424525 O\n0.333118 0.916607 0.422799 O\n0.833569 0.416706 0.422760 O\n0.664469 0.085270 0.566929 O\n0.163507 0.585130 0.567070 O\n0.535165 0.716506 0.575596 O\n0.032553 0.214371 0.576304 O\n0.379175 0.869888 0.844371 O\n0.880219 0.370989 0.844416 O\n0.679892 0.070140 0.899283 O\n0.179880 0.570448 0.900955 O\n0.162915 0.087968 0.935882 O\n0.662112 0.587218 0.935804 O\n0.452217 0.611208 0.307825 O\n0.951091 0.111839 0.306270 O\n0.638212 0.799046 0.306409 O\n0.139728 0.297306 0.309749 O\n0.546150 0.388308 0.691427 O\n0.046751 0.887671 0.693079 O\n0.361433 0.203996 0.691205 O\n0.861598 0.703797 0.692696 O\n",
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{
"id": "mp-1026579",
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"structure_string": "Mg14 Ga1 Sn1\n1.0\n6.325608 0.000000 0.000000\n-3.162804 5.478137 -0.000000\n0.000000 0.000000 10.382032\nMg Ga Sn\n14 1 1\ndirect\n0.166358 0.833178 0.125000 Mg\n0.166797 0.833398 0.625000 Mg\n0.666822 0.333642 0.125000 Mg\n0.666602 0.333203 0.625000 Mg\n0.666822 0.833178 0.125000 Mg\n0.666602 0.833398 0.625000 Mg\n0.333516 0.166484 0.376893 Mg\n0.333516 0.166484 0.873107 Mg\n0.333516 0.667034 0.376893 Mg\n0.333516 0.667034 0.873107 Mg\n0.832966 0.166484 0.376893 Mg\n0.832966 0.166484 0.873107 Mg\n0.833333 0.666667 0.375333 Mg\n0.833333 0.666667 0.874667 Mg\n0.166667 0.333333 0.625000 Ga\n0.166667 0.333333 0.125000 Sn\n",
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],
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},
{
"id": "mp-753146",
"created_at": "2022-09-04T14:43:05.866552Z",
"structure_string": "Li8 Mn6 O12 F2\n1.0\n0.000020 0.000023 4.448432\n-8.200067 -2.106713 2.224167\n4.060325 -6.162435 -2.224238\nLi Mn O F\n8 6 12 2\ndirect\n0.570062 0.148015 0.288184 Li\n0.070124 0.647966 0.788185 Li\n0.858491 0.709144 0.426101 Li\n0.358515 0.209176 0.926102 Li\n0.144648 0.279000 0.568345 Li\n0.644626 0.778983 0.068377 Li\n0.783824 0.078148 0.645851 Li\n0.283893 0.578150 0.145892 Li\n0.714439 0.428590 0.857111 Mn\n0.001396 0.996139 0.999021 Mn\n0.427150 0.861022 0.715262 Mn\n0.214221 0.928548 0.357130 Mn\n0.501394 0.496206 0.499108 Mn\n0.927113 0.360931 0.215155 Mn\n0.645237 0.298399 0.588739 O\n0.145222 0.798331 0.088790 O\n0.283358 0.058833 0.625511 O\n0.783477 0.558752 0.125532 O\n0.070181 0.129788 0.270253 O\n0.570207 0.629840 0.770268 O\n0.358340 0.727344 0.444063 O\n0.858405 0.227289 0.944044 O\n0.493958 0.991790 0.979828 O\n0.993958 0.491742 0.479791 O\n0.934505 0.865342 0.734460 O\n0.434487 0.365421 0.234508 O\n0.714323 0.928558 0.357197 F\n0.214443 0.428552 0.857195 F\n",
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"formula_full": "Li8 Mn6 O12 F2",
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}
]
}