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{
"id": "mp-760755",
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"structure_string": "K1 Al11 O17\n1.0\n11.582499 -2.825684 0.000000\n11.582499 2.825684 0.000000\n10.893140 0.000000 4.845437\nK Al O\n1 11 17\ndirect\n0.170644 0.170644 0.170644 K\n0.902529 0.408066 0.902529 Al\n0.000183 0.000183 0.000183 Al\n0.902529 0.902529 0.408066 Al\n0.408066 0.902529 0.902529 Al\n0.549726 0.549726 0.549726 Al\n0.650105 0.650105 0.650105 Al\n0.450026 0.450026 0.450026 Al\n0.350216 0.350216 0.350216 Al\n0.595106 0.096384 0.096384 Al\n0.096384 0.096384 0.595106 Al\n0.096384 0.595106 0.096384 Al\n0.703316 0.703316 0.703316 O\n0.905722 0.905722 0.905722 O\n0.719818 0.189702 0.189702 O\n0.809872 0.280645 0.809872 O\n0.908309 0.400816 0.400816 O\n0.598001 0.093253 0.598001 O\n0.400816 0.400816 0.908309 O\n0.809872 0.809872 0.280645 O\n0.189702 0.189702 0.719818 O\n0.500072 0.500072 0.500072 O\n0.598001 0.598001 0.093253 O\n0.093253 0.598001 0.598001 O\n0.400816 0.908309 0.400816 O\n0.189702 0.719818 0.189702 O\n0.280645 0.809872 0.809872 O\n0.296627 0.296627 0.296627 O\n0.094237 0.094237 0.094237 O\n",
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{
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"structure_string": "Li2 Fe2 P2 H2 O10\n1.0\n5.166059 0.000000 0.000000\n-0.771308 5.370933 0.000000\n-2.368975 -2.430476 6.593237\nLi Fe P H O\n2 2 2 2 10\ndirect\n0.747610 0.397503 0.821800 Li\n0.252390 0.602497 0.178200 Li\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.677373 0.362544 0.233490 P\n0.322627 0.637456 0.766510 P\n0.356145 0.059857 0.336406 H\n0.643855 0.940143 0.663594 H\n0.841444 0.051743 0.725826 O\n0.729911 0.208471 0.382783 O\n0.308869 0.342476 0.660257 O\n0.369234 0.247242 0.073916 O\n0.886248 0.343029 0.120678 O\n0.113752 0.656971 0.879322 O\n0.630766 0.752758 0.926084 O\n0.691131 0.657524 0.339743 O\n0.270089 0.791529 0.617217 O\n0.158556 0.948257 0.274174 O\n",
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"elements": [
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"volume": 182.93962467272172,
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"formula_full": "Li2 Fe2 P2 H2 O10",
"formula_reduced": "LiFePHO5",
"formula_anonymous": "ABCDE5",
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},
{
"id": "mp-672688",
"created_at": "2022-09-04T14:42:39.263558Z",
"structure_string": "Yb4 Se4 Cl4 O12\n1.0\n7.243694 0.000000 0.000000\n0.000000 7.452588 0.000000\n0.000000 0.000000 8.665330\nYb Se Cl O\n4 4 4 12\ndirect\n0.750000 0.109966 0.553323 Yb\n0.750000 0.609966 0.946677 Yb\n0.250000 0.890034 0.446677 Yb\n0.250000 0.390034 0.053323 Yb\n0.250000 0.770266 0.881349 Se\n0.750000 0.729734 0.381349 Se\n0.750000 0.229734 0.118651 Se\n0.250000 0.270266 0.618651 Se\n0.250000 0.527310 0.352981 Cl\n0.750000 0.472690 0.647019 Cl\n0.250000 0.027310 0.147019 Cl\n0.750000 0.972690 0.852981 Cl\n0.071114 0.139920 0.558207 O\n0.071114 0.639920 0.941793 O\n0.928886 0.860080 0.441793 O\n0.571114 0.360080 0.058207 O\n0.571114 0.860080 0.441793 O\n0.750000 0.227993 0.312935 O\n0.428886 0.139920 0.558207 O\n0.750000 0.727993 0.187065 O\n0.250000 0.772007 0.687065 O\n0.250000 0.272007 0.812935 O\n0.928886 0.360080 0.058207 O\n0.428886 0.639920 0.941793 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 4.763060779003276,
"density_atomic": 0.05130490957165544,
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"formula_full": "Yb4 Se4 Cl4 O12",
"formula_reduced": "YbSeClO3",
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"spacegroup": 62
},
{
"id": "mp-1219300",
"created_at": "2022-09-04T14:42:39.281603Z",
"structure_string": "Sc1 Co1 Ni1 Sn1\n1.0\n0.000000 3.121737 3.121737\n3.121737 0.000000 3.121737\n3.121737 3.121737 0.000000\nSc Co Ni Sn\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.750000 0.750000 0.750000 Co\n0.250000 0.250000 0.250000 Ni\n0.500000 0.500000 0.500000 Sn\n",
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"elements": [
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"volume": 60.84416440868533,
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"formula_full": "Sc1 Co1 Ni1 Sn1",
"formula_reduced": "ScCoNiSn",
"formula_anonymous": "ABCD",
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{
"id": "mp-1226541",
"created_at": "2022-09-04T14:42:39.284365Z",
"structure_string": "Cs2 Zr1 Fe2 Mo6 O24\n1.0\n8.792183 0.000000 0.000000\n-1.457745 8.672637 0.000000\n-1.397117 -1.686575 8.554273\nCs Zr Fe Mo O\n2 1 2 6 24\ndirect\n0.175040 0.175339 0.178519 Cs\n0.824960 0.824661 0.821481 Cs\n0.500000 0.500000 0.000000 Zr\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.676456 0.209029 0.231318 Mo\n0.208372 0.222634 0.666783 Mo\n0.222847 0.676638 0.217969 Mo\n0.323544 0.790971 0.768682 Mo\n0.791628 0.777366 0.333217 Mo\n0.777153 0.323362 0.782031 Mo\n0.548849 0.157537 0.364891 O\n0.158685 0.360613 0.544184 O\n0.357642 0.546116 0.166169 O\n0.451151 0.842463 0.635109 O\n0.841315 0.639387 0.455816 O\n0.642358 0.453884 0.833831 O\n0.865661 0.317632 0.338034 O\n0.311988 0.331214 0.860880 O\n0.336172 0.866154 0.320208 O\n0.134339 0.682368 0.661966 O\n0.688012 0.668786 0.139120 O\n0.663828 0.133846 0.679792 O\n0.702447 0.040229 0.113239 O\n0.038329 0.104051 0.691638 O\n0.108031 0.700923 0.047355 O\n0.297553 0.959771 0.886761 O\n0.961671 0.895949 0.308362 O\n0.891969 0.299077 0.952645 O\n0.572748 0.326480 0.112595 O\n0.330417 0.108992 0.569208 O\n0.105484 0.574440 0.334371 O\n0.427252 0.673520 0.887405 O\n0.669583 0.891008 0.430792 O\n0.894516 0.425560 0.665629 O\n",
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"formula_full": "Cs2 Zr1 Fe2 Mo6 O24",
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{
"id": "mp-29095",
"created_at": "2022-09-04T14:42:39.297065Z",
"structure_string": "H16 S4 O20\n1.0\n7.069545 0.000000 0.000000\n0.000000 7.478294 0.000000\n0.000000 2.519761 7.799794\nH S O\n16 4 20\ndirect\n0.336834 0.765105 0.294935 H\n0.836834 0.234895 0.205065 H\n0.663166 0.234895 0.705065 H\n0.163166 0.765105 0.794935 H\n0.877450 0.280209 0.777298 H\n0.377450 0.719791 0.722702 H\n0.203568 0.585746 0.412500 H\n0.703568 0.414254 0.087500 H\n0.796432 0.414254 0.587500 H\n0.296432 0.585746 0.912500 H\n0.816758 0.886568 0.607017 H\n0.316758 0.113432 0.892983 H\n0.183242 0.113432 0.392983 H\n0.683242 0.886568 0.107017 H\n0.122550 0.719791 0.222702 H\n0.622550 0.280209 0.277298 H\n0.653119 0.746459 0.461192 S\n0.153119 0.253541 0.038808 S\n0.346881 0.253541 0.538808 S\n0.846881 0.746459 0.961192 S\n0.509088 0.668591 0.591767 O\n0.754173 0.924417 0.993492 O\n0.245827 0.075583 0.006508 O\n0.745827 0.924417 0.493492 O\n0.297065 0.720411 0.825914 O\n0.797065 0.279589 0.674086 O\n0.702935 0.279589 0.174086 O\n0.202935 0.720411 0.325914 O\n0.490912 0.331409 0.408233 O\n0.990912 0.668591 0.091767 O\n0.805323 0.611838 0.464639 O\n0.305323 0.388162 0.035361 O\n0.194677 0.388162 0.535361 O\n0.694677 0.611838 0.964639 O\n0.566679 0.824621 0.288793 O\n0.066679 0.175379 0.211207 O\n0.433321 0.175379 0.711207 O\n0.933321 0.824621 0.788793 O\n0.254173 0.075583 0.506508 O\n0.009088 0.331409 0.908233 O\n",
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{
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"structure_string": "Li8 U8 F40\n1.0\n-7.489451 7.489451 3.312306\n7.489451 -7.489451 3.312306\n7.489451 7.489451 -3.312306\nLi U F\n8 8 40\ndirect\n0.689023 0.175008 0.653426 Li\n0.285597 0.439023 0.014015 Li\n0.425008 0.271582 0.985985 Li\n0.521582 0.035597 0.346574 Li\n0.560977 0.574992 0.846574 Li\n0.964403 0.310977 0.485985 Li\n0.824992 0.478418 0.514015 Li\n0.728418 0.714403 0.153426 Li\n0.323180 0.691511 0.756445 U\n0.816735 0.073180 0.131670 U\n0.941511 0.685066 0.868330 U\n0.935066 0.566735 0.243555 U\n0.926820 0.058489 0.743555 U\n0.433265 0.676820 0.368330 U\n0.308489 0.064934 0.631670 U\n0.314934 0.183265 0.256445 U\n0.944375 0.780951 0.233862 F\n0.960513 0.694375 0.663424 F\n0.030951 0.297089 0.336576 F\n0.547089 0.710513 0.766138 F\n0.305625 0.969049 0.266138 F\n0.289487 0.055625 0.836576 F\n0.219049 0.452911 0.163424 F\n0.702911 0.039487 0.733862 F\n0.697459 0.831448 0.284378 F\n0.663081 0.447459 0.366011 F\n0.081448 0.297070 0.633989 F\n0.547070 0.413081 0.715622 F\n0.552541 0.918552 0.215622 F\n0.586919 0.302541 0.133989 F\n0.168552 0.452930 0.866011 F\n0.702930 0.336919 0.784378 F\n0.015657 0.056589 0.176297 F\n0.089360 0.765657 0.459068 F\n0.306589 0.630292 0.540932 F\n0.880292 0.839360 0.823703 F\n0.234343 0.693411 0.323703 F\n0.160640 0.984343 0.040932 F\n0.943411 0.119708 0.959068 F\n0.369708 0.910640 0.676297 F\n0.391810 0.440640 0.362647 F\n0.279163 0.141810 0.451170 F\n0.690640 0.827993 0.548830 F\n0.077993 0.029163 0.637353 F\n0.858190 0.309360 0.137353 F\n0.970837 0.608190 0.048830 F\n0.559360 0.922007 0.951170 F\n0.172007 0.720837 0.862647 F\n0.437144 0.402275 0.131828 F\n0.555316 0.187144 0.534869 F\n0.652275 0.020447 0.465131 F\n0.270447 0.305316 0.868172 F\n0.812856 0.347725 0.368172 F\n0.694684 0.562856 0.965131 F\n0.597725 0.729553 0.034869 F\n0.979553 0.444684 0.631828 F\n",
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{
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"structure_string": "Sr2 Ru1 O4\n1.0\n-1.951746 1.951746 6.450974\n1.951746 -1.951746 6.450974\n1.951746 1.951746 -6.450974\nSr Ru O\n2 1 4\ndirect\n0.352579 0.352579 0.000000 Sr\n0.647421 0.647421 0.000000 Sr\n0.000000 0.000000 0.000000 Ru\n0.837101 0.837101 0.000000 O\n0.162899 0.162899 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
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{
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{
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}