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{
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{
"id": "mp-1380484",
"created_at": "2022-09-04T14:40:19.935960Z",
"structure_string": "Fe4 P8 O28\n1.0\n-6.451015 0.000000 0.000000\n2.848371 9.245747 0.000000\n-0.775185 -4.524459 -9.606708\nFe P O\n4 8 28\ndirect\n0.374618 0.497009 0.747982 Fe\n0.625382 0.502991 0.252018 Fe\n0.727279 0.092457 0.220865 Fe\n0.272721 0.907543 0.779135 Fe\n0.415437 0.681930 0.537177 P\n0.073016 0.183674 0.794079 P\n0.889940 0.549171 0.698116 P\n0.584563 0.318070 0.462823 P\n0.311341 0.800802 0.035018 P\n0.926984 0.816326 0.205921 P\n0.110060 0.450829 0.301884 P\n0.688659 0.199198 0.964982 P\n0.439012 0.673142 0.677488 O\n0.550701 0.071865 0.827697 O\n0.797592 0.453275 0.537605 O\n0.304721 0.456615 0.209809 O\n0.453878 0.915966 0.167725 O\n0.002413 0.271554 0.281559 O\n0.390753 0.658049 0.943739 O\n0.601991 0.657171 0.442602 O\n0.107574 0.051118 0.824133 O\n0.560988 0.326858 0.322512 O\n0.270973 0.891274 0.955822 O\n0.609247 0.341951 0.056261 O\n0.729027 0.108726 0.044178 O\n0.695279 0.543385 0.790191 O\n0.997587 0.728446 0.718441 O\n0.921329 0.266154 0.911368 O\n0.398009 0.342829 0.557398 O\n0.078671 0.733846 0.088632 O\n0.202408 0.546725 0.462395 O\n0.722141 0.673802 0.188987 O\n0.892426 0.948882 0.175867 O\n0.361373 0.840208 0.580580 O\n0.944622 0.515873 0.272074 O\n0.055378 0.484127 0.727926 O\n0.638627 0.159792 0.419420 O\n0.042373 0.883912 0.348421 O\n0.277859 0.326198 0.811013 O\n0.956430 0.104095 0.648423 O\n",
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"formula_full": "Fe4 P8 O28",
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{
"id": "mp-768406",
"created_at": "2022-09-04T14:40:19.999251Z",
"structure_string": "Li24 Ti7 Cr5 O36\n1.0\n5.061553 0.000000 0.000000\n0.780188 9.785105 0.000000\n2.511682 1.949942 13.053320\nLi Ti Cr O\n24 7 5 36\ndirect\n0.674138 0.000117 0.165149 Li\n0.560178 0.000751 0.387360 Li\n0.249832 0.750107 0.749335 Li\n0.582203 0.750383 0.084834 Li\n0.066973 0.499439 0.888637 Li\n0.398517 0.499724 0.220529 Li\n0.171606 0.501043 0.666120 Li\n0.506909 0.498608 0.999294 Li\n0.263087 0.499863 0.447039 Li\n0.080505 0.250053 0.582821 Li\n0.008915 0.000274 0.498752 Li\n0.767260 0.000993 0.947201 Li\n0.103569 0.999313 0.279771 Li\n0.893826 0.002023 0.719092 Li\n0.227432 0.999595 0.053633 Li\n0.916453 0.749940 0.417068 Li\n0.730027 0.499969 0.553847 Li\n0.839493 0.499988 0.332276 Li\n0.596320 0.499155 0.779072 Li\n0.929424 0.501329 0.112395 Li\n0.414058 0.249786 0.916193 Li\n0.337390 0.000093 0.832936 Li\n0.747729 0.249931 0.248932 Li\n0.436929 0.998697 0.613959 Li\n0.474834 0.749272 0.304253 Ti\n0.974091 0.249631 0.806511 Ti\n0.307898 0.249040 0.139883 Ti\n0.695549 0.749245 0.860630 Ti\n0.806233 0.750357 0.637911 Ti\n0.640617 0.249716 0.472921 Ti\n0.136349 0.751156 0.974354 Ti\n0.860348 0.250685 0.026959 Cr\n0.363470 0.750032 0.525663 Cr\n0.193342 0.250502 0.360012 Cr\n0.029858 0.749456 0.196253 Cr\n0.526418 0.250607 0.693338 Cr\n0.925367 0.861558 0.073649 O\n0.712018 0.633441 0.215638 O\n0.426772 0.361479 0.574449 O\n0.494951 0.361987 0.356343 O\n0.615715 0.366385 0.119398 O\n0.261251 0.861850 0.405247 O\n0.222104 0.135717 0.714368 O\n0.330260 0.138699 0.475148 O\n0.556290 0.135643 0.047487 O\n0.000223 0.863571 0.857394 O\n0.120100 0.864916 0.617522 O\n0.335260 0.863777 0.190319 O\n0.408239 0.135598 0.261154 O\n0.832220 0.636315 0.977424 O\n0.053523 0.635482 0.546517 O\n0.160939 0.638027 0.309059 O\n0.903941 0.636087 0.761800 O\n0.235787 0.638381 0.098983 O\n0.760864 0.361828 0.907885 O\n0.094524 0.361382 0.240985 O\n0.827919 0.361822 0.689894 O\n0.948705 0.366667 0.452336 O\n0.162700 0.361806 0.023145 O\n0.595111 0.863329 0.736819 O\n0.663421 0.138472 0.808997 O\n0.889387 0.135536 0.380798 O\n0.996672 0.138601 0.142133 O\n0.452093 0.865780 0.951906 O\n0.663025 0.862435 0.521176 O\n0.792688 0.864384 0.283268 O\n0.740848 0.136310 0.594547 O\n0.380146 0.634090 0.883128 O\n0.498360 0.638030 0.642328 O\n0.570557 0.636932 0.429608 O\n0.282256 0.366527 0.785991 O\n0.073977 0.136284 0.928231 O\n",
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],
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"density": 3.4356503395697877,
"density_atomic": 0.111368464701984,
"volume": 646.5025821507742,
"volume_molar": 5.4074021547436475,
"formula_full": "Li24 Ti7 Cr5 O36",
"formula_reduced": "Li24Ti7Cr5O36",
"formula_anonymous": "A5B7C24D36",
"energy": -519.28907845,
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"updated_at": "2021-11-28T01:34:49.844000Z",
"spacegroup": 1
},
{
"id": "mp-849727",
"created_at": "2022-09-04T14:40:20.098517Z",
"structure_string": "La8 Nb8 N8 O20\n1.0\n5.734337 0.000000 0.000000\n-0.005764 8.022070 0.000000\n-0.113278 -2.011803 13.622153\nLa Nb N O\n8 8 8 20\ndirect\n0.344680 0.133024 0.568773 La\n0.763091 0.215642 0.911782 La\n0.250953 0.273802 0.122991 La\n0.772769 0.340854 0.383301 La\n0.283182 0.665234 0.607968 La\n0.750372 0.732223 0.883081 La\n0.264211 0.780431 0.095006 La\n0.833663 0.862210 0.430198 La\n0.294394 0.070408 0.321863 Nb\n0.742076 0.023051 0.117298 Nb\n0.791699 0.413968 0.675525 Nb\n0.263615 0.472547 0.882491 Nb\n0.767460 0.536098 0.118380 Nb\n0.281995 0.597686 0.324575 Nb\n0.258874 0.969221 0.883115 Nb\n0.794744 0.925055 0.675680 Nb\n0.549940 0.087344 0.409861 N\n0.450393 0.026039 0.184888 N\n0.534054 0.961990 0.981598 N\n0.561170 0.870439 0.573409 N\n0.817247 0.770894 0.105893 N\n0.194051 0.821969 0.303437 N\n0.943953 0.974696 0.821194 N\n0.050471 0.916919 0.590445 N\n0.686595 0.182015 0.697172 O\n0.319919 0.227715 0.887299 O\n0.058923 0.134615 0.427964 O\n0.043943 0.048426 0.018964 O\n0.955784 0.125244 0.222619 O\n0.074042 0.373754 0.613813 O\n0.944559 0.431211 0.820423 O\n0.672067 0.275437 0.084895 O\n0.348644 0.328250 0.302118 O\n0.586060 0.412663 0.563489 O\n0.522574 0.533565 0.978977 O\n0.453353 0.500525 0.774764 O\n0.960812 0.498821 0.227251 O\n0.029641 0.459622 0.019070 O\n0.082745 0.585594 0.437895 O\n0.844614 0.665571 0.696810 O\n0.170656 0.721803 0.912717 O\n0.445016 0.562438 0.178096 O\n0.577705 0.619015 0.386520 O\n0.448271 0.871977 0.776388 O\n",
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"elements": [
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],
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"density": 6.059151387423505,
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"formula_full": "La8 Nb8 N8 O20",
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{
"id": "mp-775752",
"created_at": "2022-09-04T14:40:20.156789Z",
"structure_string": "Li6 V1 Sn3 P6 O24\n1.0\n8.603935 0.000000 0.000000\n3.728236 7.785217 0.000000\n3.718294 2.385629 7.435644\nLi V Sn P O\n6 1 3 6 24\ndirect\n0.975134 0.018144 0.014457 Li\n0.253421 0.631232 0.844765 Li\n0.521018 0.483259 0.481441 Li\n0.769269 0.323757 0.147977 Li\n0.315526 0.145310 0.771552 Li\n0.149313 0.770045 0.318696 Li\n0.152420 0.154364 0.152502 V\n0.853798 0.856739 0.851903 Sn\n0.642610 0.645791 0.637253 Sn\n0.334207 0.334672 0.335433 Sn\n0.926596 0.579407 0.253874 P\n0.579384 0.254821 0.929115 P\n0.252707 0.933624 0.572920 P\n0.757422 0.042858 0.446539 P\n0.442396 0.756079 0.036294 P\n0.046017 0.451047 0.758403 P\n0.880056 0.507234 0.697462 O\n0.682304 0.891612 0.484864 O\n0.906267 0.758820 0.092386 O\n0.458906 0.687870 0.886916 O\n0.737018 0.584042 0.400585 O\n0.984162 0.412311 0.197819 O\n0.759710 0.098281 0.898128 O\n0.574238 0.409065 0.743230 O\n0.396066 0.738923 0.586802 O\n0.827971 0.994904 0.602656 O\n0.915128 0.050670 0.266615 O\n0.614833 0.806531 0.977284 O\n0.409161 0.202750 0.986773 O\n0.101455 0.897469 0.759060 O\n0.199018 0.987002 0.406878 O\n0.615106 0.232502 0.422780 O\n0.420106 0.615068 0.225577 O\n0.270130 0.922146 0.045505 O\n0.029101 0.606803 0.816790 O\n0.230756 0.416745 0.612961 O\n0.593987 0.318141 0.061586 O\n0.045834 0.273700 0.919112 O\n0.317993 0.066453 0.584296 O\n0.059458 0.588814 0.321814 O\n",
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"formula_full": "Li6 V1 Sn3 P6 O24",
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{
"id": "mp-1234350",
"created_at": "2022-09-04T14:40:20.057153Z",
"structure_string": "Mg1 Mn6 O5 F7\n1.0\n-4.958585 4.630843 3.019165\n0.233184 4.953160 -3.170000\n-5.205488 -0.178060 -3.098709\nMg Mn O F\n1 6 5 7\ndirect\n0.839262 0.662438 0.160080 Mg\n0.828599 0.678581 0.661479 Mn\n0.663759 0.284325 0.369869 Mn\n0.330682 0.699566 0.635570 Mn\n0.165084 0.296713 0.333903 Mn\n0.492776 0.016890 0.032878 Mn\n0.996433 0.054621 0.973515 Mn\n0.637407 0.576767 0.499827 O\n0.942447 0.286978 0.199057 O\n0.720822 0.039949 0.151569 O\n0.024246 0.777240 0.821802 O\n0.316175 0.958660 0.367315 O\n0.667617 0.033694 0.673388 F\n0.346143 0.383555 0.970095 F\n0.290996 0.958066 0.884874 F\n0.370254 0.387018 0.454054 F\n0.646102 0.634791 0.016730 F\n0.980114 0.319468 0.688116 F\n0.028118 0.679851 0.314213 F\n",
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{
"id": "mp-1074041",
"created_at": "2022-09-04T14:40:20.072063Z",
"structure_string": "Mg18 Si10\n1.0\n7.255802 0.000000 0.000000\n3.483158 6.395918 0.000000\n2.291022 0.012129 12.002245\nMg Si\n18 10\ndirect\n0.349326 0.756276 0.399324 Mg\n0.608866 0.332472 0.569533 Mg\n0.614816 0.010284 0.412873 Mg\n0.142865 0.109095 0.573113 Mg\n0.873013 0.499989 0.410921 Mg\n0.930049 0.803896 0.574325 Mg\n0.670638 0.354901 0.951529 Mg\n0.446177 0.748825 0.083974 Mg\n0.099422 0.997345 0.933842 Mg\n0.806579 0.799243 0.908888 Mg\n0.390719 0.154629 0.999309 Mg\n0.935403 0.449977 0.092356 Mg\n0.257723 0.694828 0.743966 Mg\n0.612643 0.368913 0.245142 Mg\n0.474222 0.041042 0.744123 Mg\n0.308529 0.163837 0.253734 Mg\n0.791306 0.499290 0.726670 Mg\n0.102688 0.661797 0.222749 Mg\n0.841354 0.086328 0.751500 Si\n0.948789 0.092884 0.396322 Si\n0.031763 0.059408 0.174937 Si\n0.229911 0.569549 0.969690 Si\n0.201044 0.411203 0.644675 Si\n0.674821 0.756728 0.243611 Si\n0.092714 0.384927 0.862124 Si\n0.734842 0.014696 0.114254 Si\n0.278334 0.423462 0.417615 Si\n0.551492 0.754177 0.579183 Si\n",
"nsites": 28,
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"elements": [
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],
"chemical_system": "Mg-Si",
"density": 2.14156555414484,
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"volume": 556.9943602651455,
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"formula_full": "Mg18 Si10",
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{
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{
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}