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{
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{
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},
{
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"created_at": "2022-09-04T14:39:22.525131Z",
"structure_string": "Ca1 Cu3 Sb4 O12\n1.0\n-3.913976 3.913976 3.913976\n3.913976 -3.913976 3.913976\n3.913976 3.913976 -3.913976\nCa Cu Sb O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.500000 Sb\n0.000000 0.500000 0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n0.500000 0.000000 0.000000 Sb\n0.300819 0.825181 0.126000 O\n0.699181 0.174819 0.874000 O\n0.699181 0.825181 0.524362 O\n0.874000 0.699181 0.174819 O\n0.825181 0.126000 0.300819 O\n0.174819 0.475638 0.300819 O\n0.475638 0.300819 0.174819 O\n0.174819 0.874000 0.699181 O\n0.300819 0.174819 0.475638 O\n0.126000 0.300819 0.825181 O\n0.825181 0.524362 0.699181 O\n0.524362 0.699181 0.825181 O\n",
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"formula_full": "Ca1 Cu3 Sb4 O12",
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{
"id": "mp-675245",
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"structure_string": "Bi6 W4 O21\n1.0\n5.057805 0.000000 0.000000\n0.433784 5.082249 0.000000\n1.212845 0.726084 18.565893\nBi W O\n6 4 21\ndirect\n0.541635 0.454339 0.921262 Bi\n0.451712 0.499183 0.691771 Bi\n0.955996 0.005911 0.406043 Bi\n0.923798 0.991877 0.598579 Bi\n0.696680 0.562667 0.100626 Bi\n0.554814 0.536981 0.323161 Bi\n0.952043 0.964831 0.786826 W\n0.077569 0.035048 0.024561 W\n0.450266 0.507459 0.506206 W\n0.123967 0.083452 0.201562 W\n0.722744 0.121740 0.859222 O\n0.381149 0.813326 0.029116 O\n0.195710 0.824562 0.517230 O\n0.660515 0.648434 0.583807 O\n0.167101 0.812945 0.687122 O\n0.117562 0.855357 0.281534 O\n0.176711 0.743831 0.836932 O\n0.267542 0.444182 0.424039 O\n0.879067 0.765045 0.000848 O\n0.702266 0.672319 0.426017 O\n0.192194 0.232924 0.942893 O\n0.271504 0.330603 0.582918 O\n0.696582 0.266422 0.018318 O\n0.681832 0.820924 0.741778 O\n0.099174 0.305102 0.096330 O\n0.072795 0.270515 0.745902 O\n0.946680 0.382169 0.236236 O\n0.627740 0.134092 0.342880 O\n0.713577 0.203220 0.497653 O\n0.991986 0.861377 0.132888 O\n0.475209 0.117283 0.187619 O\n",
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"density": 8.09060715085699,
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"volume": 477.2367326367487,
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"formula_full": "Bi6 W4 O21",
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{
"id": "mp-1219266",
"created_at": "2022-09-04T14:39:22.527299Z",
"structure_string": "Si4 Ni2 Pd2\n1.0\n3.416871 0.000000 0.000000\n0.000000 5.428800 0.000000\n0.000000 0.000000 5.909457\nSi Ni Pd\n4 2 2\ndirect\n0.500000 0.323912 0.692863 Si\n0.500000 0.823912 0.307137 Si\n0.000000 0.678794 0.848589 Si\n0.000000 0.178794 0.151411 Si\n0.500000 0.492932 0.054195 Ni\n0.500000 0.992932 0.945805 Ni\n0.000000 0.504362 0.431856 Pd\n0.000000 0.004362 0.568144 Pd\n",
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"elements": [
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"formula_full": "Si4 Ni2 Pd2",
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{
"id": "mp-1017385",
"created_at": "2022-09-04T14:39:23.045898Z",
"structure_string": "Mg12 Cd2 Si2\n1.0\n4.910515 0.000000 0.000000\n0.000000 6.469040 0.000000\n0.000000 0.000000 10.618728\nMg Cd Si\n12 2 2\ndirect\n0.500000 0.250122 0.084289 Mg\n0.500000 0.749878 0.084289 Mg\n0.000000 0.246421 0.914303 Mg\n0.000000 0.753579 0.914303 Mg\n0.000000 0.500000 0.169145 Mg\n0.000000 0.500000 0.666817 Mg\n0.500000 0.750122 0.584289 Mg\n0.500000 0.249878 0.584289 Mg\n0.000000 0.746421 0.414303 Mg\n0.000000 0.253579 0.414303 Mg\n0.000000 0.000000 0.669145 Mg\n0.000000 0.000000 0.166817 Mg\n0.500000 0.500000 0.833905 Cd\n0.500000 0.000000 0.333905 Cd\n0.500000 0.500000 0.332954 Si\n0.500000 0.000000 0.832954 Si\n",
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"density_atomic": 0.047433001561891376,
"volume": 337.3178899320325,
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"formula_full": "Mg12 Cd2 Si2",
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{
"id": "mp-1037189",
"created_at": "2022-09-04T14:39:22.433554Z",
"structure_string": "Mg30 Co1 Ni1 O32\n1.0\n8.507031 0.000000 0.000000\n0.000000 8.507031 0.000000\n0.000000 0.000000 8.526775\nMg Co Ni O\n30 1 1 32\ndirect\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.248333 0.250383 Mg\n0.000000 0.248333 0.749617 Mg\n0.000000 0.751667 0.250383 Mg\n0.000000 0.751667 0.749617 Mg\n0.500000 0.249600 0.250265 Mg\n0.500000 0.249600 0.749735 Mg\n0.500000 0.750400 0.250265 Mg\n0.500000 0.750400 0.749735 Mg\n0.248333 0.000000 0.250383 Mg\n0.248333 0.000000 0.749617 Mg\n0.249600 0.500000 0.250265 Mg\n0.249600 0.500000 0.749735 Mg\n0.751667 0.000000 0.250383 Mg\n0.751667 0.000000 0.749617 Mg\n0.750400 0.500000 0.250265 Mg\n0.750400 0.500000 0.749735 Mg\n0.249942 0.249942 0.000000 Mg\n0.249288 0.249288 0.500000 Mg\n0.249942 0.750058 0.000000 Mg\n0.249288 0.750712 0.500000 Mg\n0.750058 0.249942 0.000000 Mg\n0.750712 0.249288 0.500000 Mg\n0.750058 0.750058 0.000000 Mg\n0.750712 0.750712 0.500000 Mg\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Ni\n0.249984 0.000000 0.000000 O\n0.251688 0.000000 0.500000 O\n0.249629 0.500000 0.000000 O\n0.249932 0.500000 0.500000 O\n0.750016 0.000000 0.000000 O\n0.748312 0.000000 0.500000 O\n0.750371 0.500000 0.000000 O\n0.750068 0.500000 0.500000 O\n0.249691 0.249691 0.249730 O\n0.249691 0.249691 0.750270 O\n0.249691 0.750309 0.249730 O\n0.249691 0.750309 0.750270 O\n0.750309 0.249691 0.249730 O\n0.750309 0.249691 0.750270 O\n0.750309 0.750309 0.249730 O\n0.750309 0.750309 0.750270 O\n0.000000 0.000000 0.254956 O\n0.000000 0.000000 0.745044 O\n0.000000 0.500000 0.249616 O\n0.000000 0.500000 0.750384 O\n0.500000 0.000000 0.249616 O\n0.500000 0.000000 0.750384 O\n0.500000 0.500000 0.249828 O\n0.500000 0.500000 0.750172 O\n0.000000 0.249984 0.000000 O\n0.000000 0.251688 0.500000 O\n0.000000 0.750016 0.000000 O\n0.000000 0.748312 0.500000 O\n0.500000 0.249629 0.000000 O\n0.500000 0.249932 0.500000 O\n0.500000 0.750371 0.000000 O\n0.500000 0.750068 0.500000 O\n",
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{
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{
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"structure_string": "La4 V2 Fe2 O12\n1.0\n0.022320 5.679273 -0.003098\n0.020989 -0.003724 7.910495\n5.610158 0.022740 0.014666\nLa V Fe O\n4 2 2 12\ndirect\n0.542946 0.251218 0.509726 La\n0.041462 0.248448 0.988621 La\n0.457047 0.748781 0.490259 La\n0.958541 0.751561 0.011365 La\n0.499988 0.500012 0.999998 V\n0.000003 0.999999 0.500002 V\n0.999958 0.499988 0.500061 Fe\n0.500013 0.000015 0.000016 Fe\n0.977627 0.247116 0.411744 O\n0.477083 0.251872 0.088217 O\n0.022383 0.752877 0.588245 O\n0.522925 0.748130 0.911772 O\n0.784945 0.047157 0.793597 O\n0.300043 0.450901 0.720675 O\n0.215065 0.952839 0.206395 O\n0.699964 0.549100 0.279312 O\n0.228685 0.545126 0.191042 O\n0.713682 0.954327 0.289773 O\n0.771312 0.454863 0.808963 O\n0.286327 0.045669 0.710216 O\n",
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