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{
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{
"id": "mp-831263",
"created_at": "2022-09-04T14:47:57.238512Z",
"structure_string": "Li8 Mn8 P8 O32\n1.0\n5.100927 0.000000 0.000000\n0.000000 8.440509 0.000000\n0.000000 0.000000 18.695938\nLi Mn P O\n8 8 8 32\ndirect\n0.455689 0.148257 0.761855 Li\n0.600720 0.071845 0.549852 Li\n0.100720 0.428155 0.049852 Li\n0.955689 0.351743 0.261855 Li\n0.455689 0.648257 0.738145 Li\n0.600720 0.571845 0.950148 Li\n0.100720 0.928155 0.450148 Li\n0.955689 0.851743 0.238145 Li\n0.964230 0.012387 0.931995 Mn\n0.463016 0.145503 0.339631 Mn\n0.963016 0.354497 0.839631 Mn\n0.464230 0.487613 0.431995 Mn\n0.964230 0.512387 0.568005 Mn\n0.463016 0.645503 0.160369 Mn\n0.963016 0.854497 0.660369 Mn\n0.464230 0.987613 0.068005 Mn\n0.930977 0.201806 0.681468 P\n0.438660 0.239776 0.930416 P\n0.938660 0.260224 0.430416 P\n0.430977 0.298194 0.181468 P\n0.930977 0.701806 0.818532 P\n0.438660 0.739776 0.569584 P\n0.938660 0.760224 0.069584 P\n0.430977 0.798194 0.318532 P\n0.778812 0.065521 0.641662 O\n0.334485 0.088200 0.970784 O\n0.853775 0.107975 0.468750 O\n0.376145 0.140014 0.143359 O\n0.220782 0.155039 0.685215 O\n0.744784 0.227237 0.926169 O\n0.812171 0.215195 0.758658 O\n0.816922 0.269516 0.354123 O\n0.316922 0.230484 0.854123 O\n0.312171 0.284805 0.258658 O\n0.244784 0.272763 0.426169 O\n0.720782 0.344961 0.185215 O\n0.876145 0.359986 0.643359 O\n0.353775 0.392025 0.968750 O\n0.834485 0.411800 0.470784 O\n0.278812 0.434479 0.141662 O\n0.778812 0.565521 0.858338 O\n0.334485 0.588200 0.529216 O\n0.853775 0.607975 0.031250 O\n0.376145 0.640014 0.356641 O\n0.220782 0.655039 0.814785 O\n0.744784 0.727237 0.573831 O\n0.812171 0.715195 0.741342 O\n0.816922 0.769516 0.145877 O\n0.316922 0.730484 0.645877 O\n0.312171 0.784805 0.241342 O\n0.244784 0.772763 0.073831 O\n0.720782 0.844961 0.314785 O\n0.876145 0.859986 0.856641 O\n0.353775 0.892025 0.531250 O\n0.834485 0.911800 0.029216 O\n0.278812 0.934479 0.358338 O\n",
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"elements": [
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],
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"volume": 804.9427716544013,
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"formula_full": "Li8 Mn8 P8 O32",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
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"updated_at": "2021-11-28T01:38:14.336000Z",
"spacegroup": 33
},
{
"id": "mp-1200604",
"created_at": "2022-09-04T14:47:39.616242Z",
"structure_string": "Si1 P4 H28 C10 Cl4\n1.0\n7.069774 0.000000 0.000000\n-0.598566 9.169427 0.000000\n-0.175694 -0.438002 9.250943\nSi P H C Cl\n1 4 28 10 4\ndirect\n0.000000 0.500000 0.500000 Si\n0.162948 0.706542 0.628190 P\n0.837052 0.293458 0.371810 P\n0.385006 0.821480 0.912225 P\n0.614994 0.178520 0.087775 P\n0.171694 0.599079 0.859406 H\n0.828306 0.400921 0.140594 H\n0.390218 0.591824 0.768599 H\n0.609782 0.408176 0.231401 H\n0.930533 0.878930 0.576678 H\n0.069467 0.121070 0.423322 H\n0.900968 0.810159 0.752183 H\n0.099032 0.189841 0.247817 H\n0.089697 0.945885 0.722376 H\n0.910303 0.054115 0.277624 H\n0.462592 0.726578 0.504159 H\n0.537408 0.273422 0.495841 H\n0.286100 0.829020 0.422514 H\n0.713900 0.170980 0.577486 H\n0.403252 0.896961 0.589150 H\n0.596748 0.103039 0.410850 H\n0.488607 0.631293 0.074311 H\n0.511393 0.368707 0.925689 H\n0.667147 0.684397 0.948834 H\n0.332853 0.315603 0.051166 H\n0.621388 0.802635 0.100633 H\n0.378612 0.197365 0.899367 H\n0.251359 0.922519 0.130303 H\n0.748641 0.077481 0.869697 H\n0.069283 0.874120 0.998044 H\n0.930717 0.125880 0.001956 H\n0.165517 0.735590 0.101816 H\n0.834483 0.264410 0.898184 H\n0.276457 0.662985 0.797999 C\n0.723543 0.337015 0.202001 C\n0.005429 0.849869 0.675184 C\n0.994571 0.150131 0.324816 C\n0.347802 0.798707 0.525789 C\n0.652198 0.201293 0.474211 C\n0.555666 0.723880 0.018744 C\n0.444334 0.276120 0.981256 C\n0.199251 0.838395 0.048412 C\n0.800749 0.161605 0.951588 C\n0.141370 0.341951 0.635577 Cl\n0.858630 0.658049 0.364423 Cl\n0.230512 0.487137 0.337874 Cl\n0.769488 0.512863 0.662126 Cl\n",
"nsites": 47,
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"elements": [
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"formula_full": "Si1 P4 H28 C10 Cl4",
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"spacegroup": 2
},
{
"id": "mp-1234065",
"created_at": "2022-09-04T14:47:36.505533Z",
"structure_string": "Ba10 Mg1 As6 Cl2 O24\n1.0\n11.152826 0.440088 0.000000\n-5.213734 9.396207 0.000000\n0.000000 0.000000 7.786222\nBa Mg As Cl O\n10 1 6 2 24\ndirect\n0.663274 0.334682 0.502255 Ba\n0.262647 0.639084 0.520207 Ba\n0.990341 0.245636 0.250000 Ba\n0.262647 0.639084 0.979793 Ba\n0.793805 0.751866 0.250000 Ba\n0.278261 0.987041 0.250000 Ba\n0.711745 0.984895 0.750000 Ba\n0.980547 0.752881 0.750000 Ba\n0.663274 0.334682 0.997745 Ba\n0.253896 0.251805 0.750000 Ba\n0.488075 0.719802 0.250000 Mg\n0.970024 0.570226 0.250000 As\n0.561691 0.616605 0.750000 As\n0.347837 0.953618 0.750000 As\n0.417842 0.385903 0.250000 As\n0.001863 0.383165 0.750000 As\n0.662602 0.057063 0.250000 As\n0.991662 0.000875 0.997414 Cl\n0.991662 0.000875 0.502586 Cl\n0.611818 0.721935 0.932035 O\n0.363024 0.515897 0.250000 O\n0.364303 0.281003 0.428326 O\n0.386939 0.528794 0.750000 O\n0.076294 0.349827 0.572367 O\n0.631520 0.501699 0.750000 O\n0.829825 0.302083 0.750000 O\n0.060714 0.562758 0.750000 O\n0.591889 0.473156 0.250000 O\n0.751199 0.125223 0.063800 O\n0.076294 0.349827 0.927633 O\n0.847219 0.393089 0.250000 O\n0.436687 0.856679 0.750000 O\n0.914766 0.635909 0.070123 O\n0.914766 0.635909 0.429877 O\n0.452326 0.130296 0.750000 O\n0.364303 0.281003 0.071674 O\n0.751199 0.125223 0.436200 O\n0.346248 0.774395 0.250000 O\n0.238827 0.896299 0.923394 O\n0.645371 0.889477 0.250000 O\n0.238827 0.896299 0.576606 O\n0.611818 0.721935 0.567965 O\n0.537630 0.110244 0.250000 O\n",
"nsites": 43,
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"elements": [
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],
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"volume": 833.8168863131801,
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"formula_full": "Ba10 Mg1 As6 Cl2 O24",
"formula_reduced": "Ba10MgAs6(ClO12)2",
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},
{
"id": "mp-5012",
"created_at": "2022-09-04T14:48:30.765385Z",
"structure_string": "Li4 Si2 O6\n1.0\n2.720000 -4.733696 0.000000\n2.720000 4.733696 0.000000\n0.000000 0.000000 4.719622\nLi Si O\n4 2 6\ndirect\n0.482001 0.829535 0.994299 Li\n0.517999 0.170465 0.494299 Li\n0.170465 0.517999 0.494299 Li\n0.829534 0.482001 0.994299 Li\n0.828277 0.828277 0.499537 Si\n0.171723 0.171723 0.999537 Si\n0.885214 0.885214 0.145415 O\n0.835779 0.545426 0.580826 O\n0.545426 0.835779 0.580826 O\n0.114786 0.114786 0.645415 O\n0.454574 0.164221 0.080826 O\n0.164221 0.454574 0.080826 O\n",
"nsites": 12,
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"volume": 121.5364314590413,
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"formula_full": "Li4 Si2 O6",
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"energy": -82.76883259,
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"spacegroup": 36
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{
"id": "mp-1521491",
"created_at": "2022-09-04T14:47:46.216501Z",
"structure_string": "Li1 La1 Hf1 Ti1 O6\n1.0\n0.000000 -3.993828 -3.993828\n3.993828 -0.000000 -3.993828\n3.993828 -3.993828 0.000000\nLi La Hf Ti O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 La\n-0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Ti\n0.743807 0.256193 0.256193 O\n0.256193 0.743807 0.743807 O\n0.743807 0.256193 0.743807 O\n0.256193 0.743807 0.256193 O\n0.743807 0.743807 0.256193 O\n0.256193 0.256193 0.743807 O\n",
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"formula_full": "Li1 La1 Hf1 Ti1 O6",
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"spacegroup": 216
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{
"id": "mp-644245",
"created_at": "2022-09-04T14:47:32.246044Z",
"structure_string": "Na4 P2 H6 O10\n1.0\n5.684897 0.000000 0.000000\n-1.168555 5.648046 0.000000\n-2.562517 -2.556782 7.192836\nNa P H O\n4 2 6 10\ndirect\n0.483613 0.334061 0.785627 Na\n0.516387 0.665939 0.214373 Na\n0.263696 0.722558 0.563475 Na\n0.736304 0.277442 0.436525 Na\n0.128623 0.086847 0.293381 P\n0.871377 0.913153 0.706619 P\n0.250174 0.139430 0.060212 H\n0.749826 0.860570 0.939788 H\n0.198080 0.713912 0.882573 H\n0.801920 0.286088 0.117427 H\n0.057937 0.425939 0.844717 H\n0.942063 0.574061 0.155283 H\n0.192830 0.287341 0.479206 O\n0.807170 0.712659 0.520794 O\n0.835053 0.011997 0.166290 O\n0.164947 0.988003 0.833710 O\n0.219986 0.857699 0.310089 O\n0.780014 0.142301 0.689911 O\n0.297948 0.230678 0.196779 O\n0.702052 0.769322 0.803221 O\n0.230119 0.557847 0.902694 O\n0.769881 0.442153 0.097306 O\n",
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{
"id": "mp-774364",
"created_at": "2022-09-04T14:47:30.135722Z",
"structure_string": "Li8 Cr8 P8 O32\n1.0\n5.029368 0.000000 0.000000\n0.000000 8.301335 0.000000\n0.000000 0.000000 16.710323\nLi Cr P O\n8 8 8 32\ndirect\n0.941306 0.030719 0.943533 Li\n0.466504 0.140499 0.363350 Li\n0.966504 0.359501 0.863350 Li\n0.441306 0.469281 0.443533 Li\n0.941306 0.530719 0.556467 Li\n0.466504 0.640499 0.136650 Li\n0.966504 0.859501 0.636650 Li\n0.441306 0.969281 0.056467 Li\n0.523078 0.131186 0.748953 Cr\n0.477472 0.149949 0.552961 Cr\n0.977472 0.350051 0.052961 Cr\n0.023078 0.368814 0.248953 Cr\n0.523078 0.631186 0.751047 Cr\n0.477472 0.649949 0.947039 Cr\n0.977472 0.850051 0.447039 Cr\n0.023078 0.868814 0.251047 Cr\n0.948810 0.228269 0.676843 P\n0.436062 0.240586 0.934471 P\n0.936062 0.259414 0.434471 P\n0.448810 0.271731 0.176843 P\n0.948810 0.728269 0.823157 P\n0.436062 0.740586 0.565529 P\n0.936062 0.759414 0.065529 P\n0.448810 0.771731 0.323157 P\n0.756890 0.086680 0.644705 O\n0.318644 0.082229 0.963785 O\n0.773857 0.113036 0.469174 O\n0.366945 0.112179 0.142556 O\n0.239851 0.175516 0.657499 O\n0.739483 0.256993 0.956519 O\n0.904839 0.216036 0.768918 O\n0.897430 0.241131 0.342718 O\n0.397430 0.258869 0.842718 O\n0.404839 0.283964 0.268918 O\n0.239483 0.243007 0.456519 O\n0.739851 0.324484 0.157499 O\n0.866945 0.387821 0.642556 O\n0.273857 0.386964 0.969174 O\n0.818644 0.417771 0.463785 O\n0.256890 0.413320 0.144705 O\n0.756890 0.586680 0.855295 O\n0.318644 0.582229 0.536215 O\n0.773857 0.613036 0.030826 O\n0.366945 0.612179 0.357444 O\n0.239851 0.675516 0.842501 O\n0.739483 0.756993 0.543481 O\n0.904839 0.716036 0.731082 O\n0.897430 0.741131 0.157282 O\n0.397430 0.758869 0.657282 O\n0.404839 0.783964 0.231082 O\n0.239483 0.743007 0.043481 O\n0.739851 0.824484 0.342501 O\n0.866945 0.887821 0.857444 O\n0.273857 0.886964 0.530826 O\n0.818644 0.917771 0.036215 O\n0.256890 0.913320 0.355295 O\n",
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{
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