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{
"id": "mp-1044001",
"created_at": "2022-09-04T14:39:21.434036Z",
"structure_string": "La2 Mg2 Fe2 Mo2 O12\n1.0\n5.624527 0.000000 0.000000\n0.000000 5.451969 0.000000\n0.000000 5.313044 7.835549\nLa Mg Fe Mo O\n2 2 2 2 12\ndirect\n0.295443 0.233936 0.753422 La\n0.704557 0.233936 0.253422 La\n0.803960 0.776700 0.750986 Mg\n0.196040 0.776700 0.250986 Mg\n0.749442 0.997706 0.001052 Fe\n0.250558 0.997706 0.501052 Fe\n0.755615 0.498203 0.503217 Mo\n0.244385 0.498203 0.003217 Mo\n0.279651 0.393841 0.248130 O\n0.443935 0.111818 0.067136 O\n0.446936 0.747289 0.437041 O\n0.553064 0.747289 0.937041 O\n0.556065 0.111818 0.567136 O\n0.720349 0.393841 0.748130 O\n0.807580 0.658522 0.249542 O\n0.982886 0.855933 0.432030 O\n0.966021 0.226051 0.057442 O\n0.033979 0.226051 0.557442 O\n0.017114 0.855933 0.932030 O\n0.192420 0.658522 0.749542 O\n",
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{
"id": "mp-559532",
"created_at": "2022-09-04T14:39:20.686223Z",
"structure_string": "Na4 Fe12 Si12 O40\n1.0\n-9.052032 0.000000 0.000000\n4.008014 8.965825 0.000000\n-1.177348 -4.293910 -9.467031\nNa Fe Si O\n4 12 12 40\ndirect\n0.388242 0.634102 0.422337 Na\n0.369449 0.613034 0.951757 Na\n0.611758 0.365898 0.577663 Na\n0.630551 0.386966 0.048243 Na\n0.848199 0.180732 0.948512 Fe\n0.181002 0.852269 0.532508 Fe\n0.151801 0.819268 0.051488 Fe\n0.735974 0.262762 0.256570 Fe\n0.818998 0.147731 0.467492 Fe\n0.058357 0.934485 0.841104 Fe\n0.066475 0.941545 0.346340 Fe\n0.933525 0.058455 0.653660 Fe\n0.500000 0.000000 0.000000 Fe\n0.264026 0.737238 0.743430 Fe\n0.000000 0.500000 0.500000 Fe\n0.941643 0.065515 0.158896 Fe\n0.551205 0.053512 0.703309 Si\n0.776951 0.662995 0.938236 Si\n0.448795 0.946488 0.296691 Si\n0.657774 0.767189 0.751042 Si\n0.328806 0.234005 0.758072 Si\n0.953634 0.443730 0.794923 Si\n0.342226 0.232811 0.248958 Si\n0.760091 0.662608 0.452261 Si\n0.239909 0.337392 0.547739 Si\n0.223049 0.337005 0.061764 Si\n0.046366 0.556270 0.205077 Si\n0.671194 0.765995 0.241928 Si\n0.723243 0.068375 0.081748 O\n0.627024 0.679005 0.576393 O\n0.372976 0.320995 0.423607 O\n0.176051 0.067594 0.208078 O\n0.063069 0.167316 0.014059 O\n0.333449 0.361256 0.690127 O\n0.870321 0.398812 0.147296 O\n0.074391 0.170265 0.507509 O\n0.604064 0.124832 0.364169 O\n0.835414 0.931510 0.285722 O\n0.112288 0.604122 0.365705 O\n0.070573 0.724702 0.657965 O\n0.957962 0.287681 0.812398 O\n0.823949 0.932406 0.791922 O\n0.396228 0.882687 0.128280 O\n0.929427 0.275298 0.342035 O\n0.276757 0.931625 0.918252 O\n0.320643 0.367019 0.201247 O\n0.508723 0.803090 0.294737 O\n0.814895 0.501370 0.899893 O\n0.887712 0.395878 0.634295 O\n0.936931 0.832684 0.985941 O\n0.297738 0.951067 0.396745 O\n0.042038 0.712319 0.187602 O\n0.649869 0.661054 0.066877 O\n0.603772 0.117313 0.871720 O\n0.350131 0.338946 0.933123 O\n0.492203 0.783340 0.825300 O\n0.781625 0.495530 0.429017 O\n0.925609 0.829735 0.492491 O\n0.666551 0.638744 0.309873 O\n0.395936 0.875168 0.635831 O\n0.507797 0.216660 0.174700 O\n0.164586 0.068490 0.714278 O\n0.702262 0.048933 0.603255 O\n0.185105 0.498630 0.100107 O\n0.491277 0.196910 0.705263 O\n0.218375 0.504470 0.570983 O\n0.129679 0.601188 0.852704 O\n0.679357 0.632981 0.798753 O\n",
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],
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"density": 3.758579874117397,
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"volume": 768.334151739168,
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"formula_full": "Na4 Fe12 Si12 O40",
"formula_reduced": "NaFe3Si3O10",
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"energy": -543.28996953,
"energy_per_atom": -7.9895583754411765,
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},
{
"id": "mp-1183971",
"created_at": "2022-09-04T14:39:20.619287Z",
"structure_string": "Cs1 Ru1 O3\n1.0\n4.070421 0.000000 0.000000\n0.000000 4.070421 0.000000\n0.000000 0.000000 4.070421\nCs Ru O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Ru\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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"formula_full": "Cs1 Ru1 O3",
"formula_reduced": "CsRuO3",
"formula_anonymous": "ABC3",
"energy": -31.36516556,
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"updated_at": "2021-11-28T01:34:39.999000Z",
"spacegroup": 221
},
{
"id": "mp-850907",
"created_at": "2022-09-04T14:39:21.728725Z",
"structure_string": "Li4 Mn8 B8 O24\n1.0\n5.791399 0.000000 0.000000\n1.531159 9.674713 0.000000\n1.679964 3.884772 8.845677\nLi Mn B O\n4 8 8 24\ndirect\n0.937982 0.197683 0.537372 Li\n0.559961 0.805262 0.974704 Li\n0.060743 0.299099 0.969023 Li\n0.057984 0.805975 0.468484 Li\n0.827073 0.613292 0.809952 Mn\n0.656964 0.393864 0.692155 Mn\n0.670637 0.881450 0.200601 Mn\n0.817395 0.123869 0.307117 Mn\n0.179369 0.872121 0.705932 Mn\n0.336612 0.120030 0.799363 Mn\n0.339664 0.599990 0.318419 Mn\n0.178978 0.386854 0.191041 Mn\n0.669781 0.951628 0.635578 B\n0.836198 0.045248 0.859787 B\n0.845149 0.535311 0.369237 B\n0.667111 0.462391 0.126770 B\n0.332829 0.538433 0.866141 B\n0.155857 0.462832 0.635641 B\n0.164282 0.957528 0.132553 B\n0.324891 0.046812 0.370719 B\n0.815893 0.912820 0.979549 O\n0.969621 0.440045 0.753655 O\n0.980191 0.942114 0.252519 O\n0.839938 0.832808 0.645792 O\n0.839535 0.402145 0.490596 O\n0.487572 0.933252 0.756097 O\n0.840373 0.342959 0.137443 O\n0.649901 0.159343 0.821426 O\n0.651225 0.644826 0.337114 O\n0.536700 0.576461 0.762201 O\n0.686871 0.090654 0.518033 O\n0.673238 0.600771 0.007830 O\n0.318201 0.401003 0.980209 O\n0.305594 0.911112 0.486418 O\n0.484754 0.442429 0.243836 O\n0.332739 0.346262 0.657297 O\n0.340132 0.838596 0.151138 O\n0.139550 0.647924 0.835892 O\n0.529372 0.075983 0.266013 O\n0.166325 0.598230 0.512356 O\n0.131835 0.161368 0.344917 O\n0.041442 0.074342 0.749694 O\n0.048838 0.567699 0.263768 O\n0.168395 0.091183 0.006881 O\n",
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"volume": 495.6243720397946,
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"formula_full": "Li4 Mn8 B8 O24",
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{
"id": "mp-677069",
"created_at": "2022-09-04T14:39:21.735897Z",
"structure_string": "Tl3 V24 S32\n1.0\n9.180827 0.000000 0.000000\n-1.253163 9.331853 0.000000\n-1.288905 -0.735204 11.961421\nTl V S\n3 24 32\ndirect\n0.953725 0.948168 0.070827 Tl\n0.541381 0.565669 0.435593 Tl\n0.309368 0.295224 0.688650 Tl\n0.333938 0.944878 0.002696 V\n0.102044 0.639526 0.968608 V\n0.401165 0.378331 0.025686 V\n0.374860 0.319593 0.246570 V\n0.764668 0.058149 0.287624 V\n0.397293 0.861321 0.258225 V\n0.065166 0.658962 0.255003 V\n0.730803 0.417353 0.176943 V\n0.107600 0.213867 0.269538 V\n0.143787 0.093266 0.460063 V\n0.535158 0.857817 0.577902 V\n0.122252 0.551931 0.469208 V\n0.814205 0.385205 0.483086 V\n0.528088 0.125045 0.485938 V\n0.923336 0.853876 0.515055 V\n0.851809 0.941165 0.755956 V\n0.140210 0.609211 0.767618 V\n0.866291 0.247397 0.701375 V\n0.636596 0.250879 0.829195 V\n0.303907 0.852111 0.735894 V\n0.668725 0.606857 0.766041 V\n0.585754 0.663031 0.008354 V\n0.961155 0.385756 0.008180 V\n0.654940 0.028784 0.958274 V\n0.875083 0.601305 0.086411 S\n0.270808 0.170398 0.087213 S\n0.571089 0.907331 0.118791 S\n0.152026 0.441325 0.185428 S\n0.610288 0.257176 0.028708 S\n0.196319 0.793034 0.125168 S\n0.512470 0.541057 0.170777 S\n0.885263 0.230489 0.160351 S\n0.625279 0.271058 0.329592 S\n0.981049 0.912937 0.333133 S\n0.281985 0.709537 0.381231 S\n0.939237 0.210853 0.408722 S\n0.316365 0.079801 0.322864 S\n0.889172 0.579969 0.378371 S\n0.258281 0.349189 0.425082 S\n0.610992 0.921376 0.403511 S\n0.333405 0.999514 0.574849 S\n0.754380 0.748264 0.623619 S\n0.034436 0.424271 0.621935 S\n0.107016 0.739668 0.604590 S\n0.658332 0.072013 0.672637 S\n0.659459 0.376499 0.634916 S\n0.002514 0.068113 0.631023 S\n0.424988 0.663547 0.669919 S\n0.079842 0.842836 0.846685 S\n0.528413 0.458152 0.874288 S\n0.866146 0.170598 0.886754 S\n0.345556 0.714987 0.909275 S\n0.901025 0.520514 0.835066 S\n0.436604 0.053070 0.849169 S\n0.709052 0.812250 0.884466 S\n0.177395 0.417999 0.914853 S\n",
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{
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"structure_string": "Sc4 W10 Se6 O24\n1.0\n7.545462 0.000000 0.000000\n0.493953 10.281709 0.000000\n3.090280 0.752682 10.433463\nSc W Se O\n4 10 6 24\ndirect\n0.690961 0.436085 0.724220 Sc\n0.397044 0.236821 0.396392 Sc\n0.367941 0.773362 0.410198 Sc\n0.085231 0.073908 0.025827 Sc\n0.772904 0.822224 0.873007 W\n0.188266 0.960138 0.762945 W\n0.118162 0.631369 0.897858 W\n0.677247 0.516647 0.982862 W\n0.001087 0.909796 0.533727 W\n0.015189 0.359899 0.827630 W\n0.739751 0.638881 0.218190 W\n0.968312 0.213329 0.564839 W\n0.838305 0.345618 0.182699 W\n0.726419 0.106090 0.933533 W\n0.355126 0.298963 0.069743 Se\n0.447842 0.185611 0.716456 Se\n0.530552 0.762707 0.680613 Se\n0.240873 0.772227 0.118335 Se\n0.703383 0.980006 0.281116 Se\n0.129183 0.504559 0.468370 Se\n0.098257 0.908999 0.143733 O\n0.604405 0.303653 0.018515 O\n0.347048 0.142080 0.020502 O\n0.182290 0.643648 0.527915 O\n0.196645 0.179713 0.764533 O\n0.999991 0.080253 0.439181 O\n0.488425 0.048718 0.339130 O\n0.311751 0.275539 0.231883 O\n0.252382 0.748911 0.747426 O\n0.595492 0.602899 0.656291 O\n0.505530 0.206096 0.552429 O\n0.237407 0.723666 0.273519 O\n0.340880 0.428891 0.440220 O\n0.814639 0.475392 0.307488 O\n0.827243 0.809135 0.682972 O\n0.816339 0.244170 0.765846 O\n0.994736 0.420081 0.622342 O\n0.612223 0.830367 0.258763 O\n0.682782 0.708926 0.037288 O\n0.443888 0.346578 0.760188 O\n0.992883 0.264819 0.014193 O\n0.535276 0.813571 0.525547 O\n0.780401 0.047278 0.121179 O\n0.081110 0.658576 0.093658 O\n",
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{
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"structure_string": "Ga1 Fe7 N2\n1.0\n0.000000 3.698218 3.698218\n3.698218 0.000000 3.698218\n3.698218 3.698218 0.000000\nGa Fe N\n1 7 2\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.250000 0.250000 0.250000 N\n0.750000 0.750000 0.750000 N\n",
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{
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