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{
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{
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"structure_string": "Li9 Mn12 B12 O36\n1.0\n9.059162 0.000000 0.000000\n4.494129 7.938386 0.000000\n4.260837 2.397397 10.447530\nLi Mn B O\n9 12 12 36\ndirect\n0.300887 0.348900 0.849667 Li\n0.348228 0.360837 0.088889 Li\n0.188376 0.183920 0.609713 Li\n0.166699 0.173449 0.333229 Li\n0.997680 0.014841 0.828231 Li\n0.862446 0.836270 0.591931 Li\n0.856700 0.806225 0.339187 Li\n0.653168 0.677909 0.830246 Li\n0.524744 0.504040 0.326894 Li\n0.828059 0.133277 0.362499 Mn\n0.641088 0.325943 0.864924 Mn\n0.712835 0.999685 0.107543 Mn\n0.526952 0.206283 0.623645 Mn\n0.173694 0.483301 0.371341 Mn\n0.973170 0.666647 0.878062 Mn\n0.973252 0.360725 0.120663 Mn\n0.829513 0.507729 0.610326 Mn\n0.484587 0.853748 0.370070 Mn\n0.324753 0.998787 0.869588 Mn\n0.363603 0.689053 0.114970 Mn\n0.187919 0.832072 0.621384 Mn\n0.488300 0.152317 0.393865 B\n0.312585 0.658378 0.875983 B\n0.346362 0.028603 0.130961 B\n0.160483 0.506875 0.633694 B\n0.164464 0.812235 0.375899 B\n0.973287 0.325974 0.868556 B\n0.037138 0.655204 0.133734 B\n0.847930 0.168006 0.624330 B\n0.814941 0.501454 0.358729 B\n0.659563 0.993611 0.861757 B\n0.679203 0.331122 0.125343 B\n0.516329 0.865237 0.614636 B\n0.746043 0.050147 0.903241 O\n0.783489 0.085574 0.583508 O\n0.505374 0.120460 0.819180 O\n0.548496 0.246130 0.428522 O\n0.374427 0.481409 0.894841 O\n0.607152 0.266527 0.078919 O\n0.417722 0.019985 0.654360 O\n0.321038 0.408415 0.663391 O\n0.316432 0.214483 0.394345 O\n0.162152 0.769616 0.828866 O\n0.279188 0.661770 0.334189 O\n0.032560 0.394069 0.927512 O\n0.074636 0.164366 0.845802 O\n0.237568 0.196285 0.142405 O\n0.097348 0.443398 0.579865 O\n0.063488 0.668773 0.664199 O\n0.198537 0.557496 0.165573 O\n0.017937 0.089786 0.633047 O\n0.986240 0.871619 0.396696 O\n0.816650 0.432826 0.830934 O\n0.909021 0.342366 0.315274 O\n0.904771 0.548749 0.403489 O\n0.720782 0.825451 0.861310 O\n0.934936 0.816221 0.156054 O\n0.981833 0.584395 0.076882 O\n0.729294 0.324819 0.656044 O\n0.844955 0.219370 0.156075 O\n0.680137 0.757897 0.635183 O\n0.644539 0.600227 0.358412 O\n0.613034 0.997572 0.356899 O\n0.398093 0.728326 0.904655 O\n0.599597 0.492948 0.145969 O\n0.440872 0.814303 0.556547 O\n0.493984 0.938606 0.186896 O\n0.227595 0.906305 0.403938 O\n0.323743 0.945415 0.065505 O\n",
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],
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"formula_full": "Li9 Mn12 B12 O36",
"formula_reduced": "Li3Mn4(BO3)4",
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{
"id": "mp-1343018",
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"structure_string": "Ca4 Cr4 As4 O20\n1.0\n5.992207 0.000000 0.000000\n0.000000 7.561008 0.000000\n0.000000 0.000000 8.918245\nCa Cr As O\n4 4 4 20\ndirect\n0.972763 0.851182 0.669966 Ca\n0.527237 0.148818 0.169966 Ca\n0.027237 0.351182 0.830034 Ca\n0.472763 0.648818 0.330034 Ca\n0.255053 0.755951 0.995553 Cr\n0.244947 0.244049 0.495553 Cr\n0.744947 0.255951 0.504447 Cr\n0.755053 0.744049 0.004447 Cr\n0.480848 0.107264 0.808799 As\n0.019152 0.892736 0.308799 As\n0.519152 0.607264 0.691201 As\n0.980848 0.392736 0.191201 As\n0.508119 0.920528 0.926811 O\n0.991881 0.079472 0.426811 O\n0.491881 0.420528 0.573189 O\n0.008119 0.579472 0.073189 O\n0.415008 0.272036 0.930249 O\n0.084992 0.727964 0.430249 O\n0.584992 0.772036 0.569751 O\n0.915008 0.227964 0.069751 O\n0.731839 0.133694 0.715700 O\n0.768161 0.866306 0.215700 O\n0.268161 0.633694 0.784300 O\n0.231839 0.366306 0.284300 O\n0.251932 0.094928 0.691020 O\n0.248068 0.905072 0.191020 O\n0.748068 0.594928 0.808980 O\n0.751932 0.405072 0.308980 O\n0.997678 0.876193 0.916437 O\n0.502322 0.123807 0.416437 O\n0.002322 0.376193 0.583563 O\n0.497678 0.623807 0.083563 O\n",
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],
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"volume": 404.06004157224305,
"volume_molar": 7.604082643248435,
"formula_full": "Ca4 Cr4 As4 O20",
"formula_reduced": "CaCrAsO5",
"formula_anonymous": "ABCD5",
"energy": -240.84857504,
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"spacegroup": 19
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{
"id": "mp-1216394",
"created_at": "2022-09-04T14:43:14.838223Z",
"structure_string": "V1 Cr1\n1.0\n1.460505 -2.069616 0.000000\n1.460505 2.069616 0.000000\n0.000000 0.000000 4.086256\nV Cr\n1 1\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Cr\n",
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"spacegroup": 65
},
{
"id": "mp-1521954",
"created_at": "2022-09-04T14:43:14.840081Z",
"structure_string": "K1 Eu1 Hf1 Ti1 O6\n1.0\n0.000000 -4.008531 -4.008531\n4.008531 -0.000000 -4.008531\n4.008531 -4.008531 -0.000000\nK Eu Hf Ti O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Eu\n0.000000 0.000000 -0.000000 Hf\n0.500000 0.500000 0.500000 Ti\n0.743799 0.256201 0.256201 O\n0.256201 0.743799 0.743799 O\n0.743799 0.256201 0.743799 O\n0.256201 0.743799 0.256201 O\n0.743799 0.743799 0.256201 O\n0.256201 0.256201 0.743799 O\n",
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{
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"structure_string": "Sm4 H52 C32 N24 O52\n1.0\n0.000000 -7.034282 0.000000\n-16.071045 0.000000 3.403590\n0.005115 0.000000 -14.624053\nSm H C N O\n4 52 32 24 52\ndirect\n0.638095 0.178050 0.792051 Sm\n0.361905 0.821950 0.207949 Sm\n0.138095 0.821950 0.707949 Sm\n0.861905 0.178050 0.292051 Sm\n0.354321 0.726435 0.365862 H\n0.645679 0.273565 0.634138 H\n0.854321 0.273565 0.134138 H\n0.145679 0.726435 0.865862 H\n0.568679 0.794190 0.724265 H\n0.431321 0.205810 0.275735 H\n0.068679 0.205810 0.775735 H\n0.931321 0.794190 0.224265 H\n0.479340 0.718436 0.912587 H\n0.520660 0.281564 0.087413 H\n0.979340 0.281564 0.587413 H\n0.020660 0.718436 0.412587 H\n0.936340 0.764743 0.874631 H\n0.063660 0.235257 0.125369 H\n0.436340 0.235257 0.625369 H\n0.563660 0.764743 0.374631 H\n0.358595 0.649396 0.949731 H\n0.641405 0.350604 0.050269 H\n0.858595 0.350604 0.550269 H\n0.141405 0.649396 0.449731 H\n0.519286 0.825403 0.829460 H\n0.480714 0.174597 0.170540 H\n0.019286 0.174597 0.670540 H\n0.980714 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{
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