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{
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{
"id": "mp-560090",
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"structure_string": "Mn4 Ni12 Te6 Pb2 O36\n1.0\n4.705322 -8.149856 0.000000\n4.705322 8.149856 0.000000\n0.000000 0.000000 8.930882\nMn Ni Te Pb O\n4 12 6 2 36\ndirect\n0.666667 0.333333 0.560510 Mn\n0.333333 0.666667 0.439490 Mn\n0.333333 0.666667 0.060510 Mn\n0.666667 0.333333 0.939490 Mn\n0.988630 0.348693 0.588631 Ni\n0.651307 0.639937 0.911369 Ni\n0.360063 0.011370 0.588631 Ni\n0.348693 0.360063 0.411369 Ni\n0.348693 0.360063 0.088631 Ni\n0.639937 0.988630 0.411369 Ni\n0.011370 0.651307 0.088631 Ni\n0.360063 0.011370 0.911369 Ni\n0.651307 0.639937 0.588631 Ni\n0.639937 0.988630 0.088631 Ni\n0.988630 0.348693 0.911369 Ni\n0.011370 0.651307 0.411369 Ni\n0.362597 0.026114 0.250000 Te\n0.973886 0.336483 0.250000 Te\n0.336483 0.362597 0.750000 Te\n0.026114 0.663517 0.750000 Te\n0.637403 0.973886 0.750000 Te\n0.663517 0.637403 0.250000 Te\n0.000000 0.000000 0.000000 Pb\n0.000000 0.000000 0.500000 Pb\n0.447637 0.867180 0.250000 O\n0.393444 0.522758 0.586934 O\n0.477242 0.870686 0.586934 O\n0.870686 0.393444 0.413066 O\n0.204958 0.900771 0.408830 O\n0.204958 0.900771 0.091170 O\n0.900771 0.695813 0.908830 O\n0.187741 0.894157 0.750000 O\n0.706416 0.812259 0.750000 O\n0.795042 0.099229 0.591170 O\n0.522758 0.129314 0.413066 O\n0.900771 0.695813 0.591170 O\n0.099229 0.304187 0.091170 O\n0.304187 0.204958 0.591170 O\n0.870686 0.393444 0.086934 O\n0.812259 0.105843 0.250000 O\n0.606556 0.477242 0.413066 O\n0.695813 0.795042 0.408830 O\n0.129314 0.606556 0.586934 O\n0.419543 0.552363 0.250000 O\n0.129314 0.606556 0.913066 O\n0.867180 0.419543 0.750000 O\n0.132820 0.580457 0.250000 O\n0.580457 0.447637 0.750000 O\n0.304187 0.204958 0.908830 O\n0.795042 0.099229 0.908830 O\n0.606556 0.477242 0.086934 O\n0.552363 0.132820 0.750000 O\n0.522758 0.129314 0.086934 O\n0.293584 0.187741 0.250000 O\n0.099229 0.304187 0.408830 O\n0.105843 0.293584 0.750000 O\n0.894157 0.706416 0.250000 O\n0.477242 0.870686 0.913066 O\n0.393444 0.522758 0.913066 O\n0.695813 0.795042 0.091170 O\n",
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"formula_full": "Mn4 Ni12 Te6 Pb2 O36",
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"updated_at": "2021-11-28T01:38:14.599000Z",
"spacegroup": 176
},
{
"id": "mp-1042644",
"created_at": "2022-09-04T14:45:17.996042Z",
"structure_string": "Cr8 Bi8 O40\n1.0\n6.207557 0.000000 0.000000\n0.000000 11.705221 0.000000\n0.000000 0.000000 15.899664\nCr Bi O\n8 8 40\ndirect\n0.978850 0.400461 0.617426 Cr\n0.521150 0.900461 0.382574 Cr\n0.021150 0.599539 0.382574 Cr\n0.478850 0.099539 0.617426 Cr\n0.021150 0.099539 0.117427 Cr\n0.978850 0.900461 0.882574 Cr\n0.521150 0.400461 0.117427 Cr\n0.478850 0.599539 0.882574 Cr\n0.927780 0.821977 0.214390 Bi\n0.072220 0.178023 0.785610 Bi\n0.572220 0.321977 0.785610 Bi\n0.072220 0.678023 0.714390 Bi\n0.427780 0.178023 0.285610 Bi\n0.427780 0.678023 0.214390 Bi\n0.572220 0.821977 0.714390 Bi\n0.927780 0.321977 0.285610 Bi\n0.890121 0.304062 0.698985 O\n0.236249 0.045847 0.078814 O\n0.263751 0.545847 0.921186 O\n0.226685 0.793239 0.152530 O\n0.273315 0.293239 0.847470 O\n0.890121 0.804062 0.801015 O\n0.273315 0.793239 0.652530 O\n0.609879 0.804062 0.301015 O\n0.236249 0.545847 0.421186 O\n0.109879 0.695938 0.301015 O\n0.609879 0.304062 0.198985 O\n0.610451 0.168295 0.547416 O\n0.736249 0.954153 0.421186 O\n0.773315 0.706761 0.652530 O\n0.142801 0.003844 0.838431 O\n0.736249 0.454153 0.078814 O\n0.109879 0.195938 0.198985 O\n0.726685 0.206761 0.347470 O\n0.110451 0.831705 0.952584 O\n0.263751 0.045847 0.578814 O\n0.389549 0.831705 0.452584 O\n0.857199 0.996156 0.161569 O\n0.773315 0.206761 0.847470 O\n0.642801 0.996156 0.661569 O\n0.389549 0.331705 0.047416 O\n0.110451 0.331705 0.547416 O\n0.763751 0.454153 0.578814 O\n0.763751 0.954153 0.921186 O\n0.642801 0.496156 0.838431 O\n0.889549 0.668295 0.452584 O\n0.889549 0.168295 0.047416 O\n0.610451 0.668295 0.952584 O\n0.857199 0.496156 0.338431 O\n0.726685 0.706761 0.152530 O\n0.226685 0.293239 0.347470 O\n0.142801 0.503844 0.661569 O\n0.357199 0.503844 0.161569 O\n0.390121 0.195938 0.698985 O\n0.357199 0.003844 0.338431 O\n0.390121 0.695938 0.801015 O\n",
"nsites": 56,
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"elements": [
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"volume": 1155.2827281883199,
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"formula_full": "Cr8 Bi8 O40",
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"updated_at": "2021-11-28T01:37:03.922000Z",
"spacegroup": 61
},
{
"id": "mp-1218914",
"created_at": "2022-09-04T14:39:11.531170Z",
"structure_string": "Sr10 Mg5 Mo2 W3 O30\n1.0\n-5.650157 0.000000 0.000000\n-0.011334 -5.661409 0.000000\n2.820145 2.736888 20.126422\nSr Mg Mo W O\n10 5 2 3 30\ndirect\n0.249365 0.748885 0.500109 Sr\n0.649451 0.149142 0.300834 Sr\n0.049281 0.549008 0.100140 Sr\n0.449224 0.948925 0.899963 Sr\n0.849182 0.348741 0.699327 Sr\n0.750635 0.251115 0.499891 Sr\n0.150818 0.651259 0.300673 Sr\n0.550776 0.051075 0.100037 Sr\n0.950719 0.450992 0.899860 Sr\n0.350549 0.850858 0.699166 Sr\n0.199987 0.199976 0.400010 Mg\n0.599963 0.599955 0.200004 Mg\n0.000000 0.000000 0.000000 Mg\n0.400037 0.400045 0.799996 Mg\n0.800013 0.800024 0.599990 Mg\n0.299978 0.299931 0.599898 Mo\n0.700022 0.700069 0.400102 Mo\n0.099993 0.100057 0.200132 W\n0.500000 0.500000 0.000000 W\n0.900007 0.899943 0.799868 W\n0.572716 0.509225 0.599108 O\n0.972768 0.909342 0.399334 O\n0.373570 0.309362 0.199314 O\n0.773548 0.709363 0.999199 O\n0.173556 0.109252 0.799063 O\n0.427284 0.490775 0.400892 O\n0.826444 0.890748 0.200937 O\n0.226452 0.290637 0.000801 O\n0.626430 0.690638 0.800686 O\n0.027232 0.090658 0.600666 O\n0.236844 0.265102 0.503240 O\n0.636865 0.665199 0.303520 O\n0.036486 0.065187 0.103190 O\n0.436511 0.465157 0.903090 O\n0.836501 0.865095 0.702894 O\n0.763156 0.734898 0.496760 O\n0.163499 0.134905 0.297106 O\n0.563489 0.534843 0.096910 O\n0.963514 0.934813 0.896810 O\n0.363135 0.334801 0.696480 O\n0.507712 0.025025 0.594860 O\n0.907908 0.425244 0.395096 O\n0.307887 0.824357 0.195004 O\n0.707874 0.224279 0.994886 O\n0.107709 0.624132 0.794744 O\n0.492288 0.974975 0.405140 O\n0.892291 0.375868 0.205256 O\n0.292126 0.775721 0.005114 O\n0.692113 0.175643 0.804996 O\n0.092092 0.574756 0.604904 O\n",
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"elements": [
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"density": 5.728843483749795,
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"formula_full": "Sr10 Mg5 Mo2 W3 O30",
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"updated_at": "2021-11-28T01:34:39.183000Z",
"spacegroup": 2
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{
"id": "mp-1041855",
"created_at": "2022-09-04T14:47:59.133612Z",
"structure_string": "Ca6 As8 W6 O32\n1.0\n5.214541 0.000000 0.000000\n0.000000 10.505402 0.000000\n0.000000 9.008691 15.124683\nCa As W O\n6 8 6 32\ndirect\n0.027907 0.729250 0.267855 Ca\n0.527907 0.270750 0.232145 Ca\n0.972093 0.270750 0.732145 Ca\n0.472093 0.729250 0.767855 Ca\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.510662 0.954098 0.164572 As\n0.887088 0.598408 0.116902 As\n0.387088 0.401592 0.383098 As\n0.612912 0.598408 0.616902 As\n0.489338 0.045902 0.835428 As\n0.112912 0.401592 0.883098 As\n0.989338 0.954098 0.664572 As\n0.010662 0.045902 0.335428 As\n0.956843 0.787844 0.897229 W\n0.043157 0.212156 0.102771 W\n0.456843 0.212156 0.602771 W\n0.543157 0.787844 0.397229 W\n0.500000 0.500000 0.000000 W\n0.000000 0.500000 0.500000 W\n0.987497 0.200289 0.226990 O\n0.352556 0.221075 0.490941 O\n0.821741 0.667319 0.184999 O\n0.880368 0.899298 0.328460 O\n0.178259 0.332681 0.815001 O\n0.512503 0.200289 0.726990 O\n0.321741 0.332681 0.315001 O\n0.925002 0.515617 0.610838 O\n0.173542 0.903314 0.605959 O\n0.012503 0.799711 0.773010 O\n0.619632 0.899298 0.828460 O\n0.074998 0.484383 0.389162 O\n0.728320 0.322485 0.056743 O\n0.826458 0.096686 0.394041 O\n0.169625 0.002080 0.865847 O\n0.669625 0.997920 0.634153 O\n0.228320 0.677515 0.443257 O\n0.678259 0.667319 0.684999 O\n0.673542 0.096686 0.894041 O\n0.425002 0.484383 0.889162 O\n0.330375 0.002080 0.365847 O\n0.830375 0.997920 0.134153 O\n0.647444 0.778925 0.509059 O\n0.852556 0.778925 0.009059 O\n0.271680 0.677515 0.943257 O\n0.487497 0.799711 0.273010 O\n0.119632 0.100702 0.671540 O\n0.326458 0.903314 0.105959 O\n0.147444 0.221075 0.990941 O\n0.574998 0.515617 0.110838 O\n0.771680 0.322485 0.556743 O\n0.380368 0.100702 0.171540 O\n",
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"formula_full": "Ca6 As8 W6 O32",
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{
"id": "mp-780509",
"created_at": "2022-09-04T14:39:38.108204Z",
"structure_string": "Li6 Mn8 B8 O24\n1.0\n-5.296158 0.000000 0.000000\n-0.095543 -9.048830 0.000000\n2.060451 1.902059 10.511989\nLi Mn B O\n6 8 8 24\ndirect\n0.504595 0.108044 0.158623 Li\n0.751260 0.632949 0.327158 Li\n0.238267 0.139618 0.340984 Li\n0.248807 0.359116 0.654594 Li\n0.989771 0.394783 0.840586 Li\n0.502965 0.881580 0.829602 Li\n0.974745 0.269222 0.119441 Mn\n0.479973 0.755299 0.121749 Mn\n0.765239 0.983986 0.381266 Mn\n0.271002 0.494215 0.374487 Mn\n0.723424 0.523349 0.622470 Mn\n0.232602 0.005137 0.620050 Mn\n0.516248 0.233007 0.873608 Mn\n0.027136 0.749414 0.877038 Mn\n0.983407 0.936384 0.122389 B\n0.494376 0.423546 0.136416 B\n0.756006 0.319960 0.370719 B\n0.262744 0.816647 0.370939 B\n0.739751 0.187320 0.628800 B\n0.240295 0.676560 0.633339 B\n0.507384 0.569007 0.869710 B\n0.014637 0.068616 0.871825 B\n0.569251 0.281949 0.081873 O\n0.637963 0.549295 0.144493 O\n0.141177 0.063154 0.150849 O\n0.001945 0.313879 0.342211 O\n0.747297 0.937676 0.159894 O\n0.269024 0.427282 0.188803 O\n0.076863 0.800496 0.062478 O\n0.600519 0.194278 0.350212 O\n0.663496 0.463468 0.414001 O\n0.497474 0.801009 0.330822 O\n0.839487 0.053207 0.580323 O\n0.108137 0.692825 0.368106 O\n0.887277 0.319236 0.651622 O\n0.176124 0.959310 0.411972 O\n0.493774 0.191790 0.659852 O\n0.307509 0.533880 0.568233 O\n0.393926 0.798826 0.646799 O\n0.929456 0.213468 0.912990 O\n0.751876 0.567574 0.840639 O\n0.252468 0.050262 0.835992 O\n0.025796 0.676929 0.690964 O\n0.856642 0.946096 0.868108 O\n0.354562 0.441914 0.848594 O\n0.409791 0.709959 0.912896 O\n",
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"formula_full": "Li6 Mn8 B8 O24",
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{
"id": "mp-849225",
"created_at": "2022-09-04T14:40:43.796839Z",
"structure_string": "Li6 Mn8 B8 O24\n1.0\n6.176225 0.000000 0.000000\n1.101458 9.290213 0.000000\n1.633234 3.643220 8.797010\nLi Mn B O\n6 8 8 24\ndirect\n0.536094 0.871575 0.781423 Li\n0.023036 0.349760 0.783408 Li\n0.463906 0.128425 0.218577 Li\n0.530889 0.370720 0.282637 Li\n0.976964 0.650240 0.216592 Li\n0.469111 0.629280 0.717363 Li\n0.252385 0.045490 0.952484 Mn\n0.747615 0.954510 0.047516 Mn\n0.238042 0.956002 0.555840 Mn\n0.242800 0.452338 0.049837 Mn\n0.761958 0.043998 0.444160 Mn\n0.757200 0.547662 0.950163 Mn\n0.253576 0.559280 0.449016 Mn\n0.746424 0.440720 0.550984 Mn\n0.101545 0.782387 0.891145 B\n0.590374 0.783834 0.383550 B\n0.580080 0.285214 0.883050 B\n0.091700 0.288138 0.376567 B\n0.898455 0.217613 0.108855 B\n0.409626 0.216166 0.616450 B\n0.419920 0.714786 0.116950 B\n0.908300 0.711862 0.623433 B\n0.256209 0.777682 0.771348 O\n0.032254 0.920771 0.909835 O\n0.497015 0.854434 0.995890 O\n0.723682 0.775635 0.259011 O\n0.520189 0.927992 0.397090 O\n0.502985 0.145566 0.004110 O\n0.012253 0.147588 0.483814 O\n0.740534 0.277753 0.771166 O\n0.259811 0.281446 0.264593 O\n0.987747 0.852412 0.516186 O\n0.967746 0.079229 0.090165 O\n0.479811 0.072008 0.602910 O\n0.501662 0.427544 0.892894 O\n0.009773 0.430298 0.385150 O\n0.017373 0.646304 0.003567 O\n0.743791 0.222318 0.228652 O\n0.276318 0.224365 0.740989 O\n0.982627 0.353696 0.996433 O\n0.478463 0.352437 0.494504 O\n0.498338 0.572456 0.107106 O\n0.259466 0.722247 0.228834 O\n0.521537 0.647563 0.505496 O\n0.990227 0.569702 0.614850 O\n0.740189 0.718554 0.735407 O\n",
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