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{
"id": "mp-571123",
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"structure_string": "Cr44 Ge32\n1.0\n4.916876 0.000000 0.000000\n0.000000 13.182395 0.000000\n0.000000 0.000000 15.769323\nCr Ge\n44 32\ndirect\n0.496532 0.059894 0.377951 Cr\n0.750000 0.251246 0.968444 Cr\n0.750000 0.364275 0.158419 Cr\n0.003468 0.059894 0.377951 Cr\n0.250000 0.565034 0.309241 Cr\n0.250000 0.807412 0.751090 Cr\n0.250000 0.369173 0.041858 Cr\n0.750000 0.880524 0.008073 Cr\n0.250000 0.307412 0.748910 Cr\n0.996533 0.940106 0.622049 Cr\n0.250000 0.119476 0.991927 Cr\n0.250000 0.459842 0.592738 Cr\n0.750000 0.751246 0.531556 Cr\n0.750000 0.380524 0.491927 Cr\n0.250000 0.635725 0.841581 Cr\n0.250000 0.959842 0.907262 Cr\n0.990100 0.363134 0.325723 Cr\n0.250000 0.619476 0.508073 Cr\n0.490100 0.136866 0.825723 Cr\n0.250000 0.135725 0.658419 Cr\n0.750000 0.540158 0.407262 Cr\n0.750000 0.934966 0.809241 Cr\n0.990100 0.863134 0.174277 Cr\n0.509900 0.863134 0.174277 Cr\n0.503467 0.440106 0.877951 Cr\n0.009900 0.636866 0.674277 Cr\n0.250000 0.748754 0.031556 Cr\n0.509900 0.363134 0.325723 Cr\n0.750000 0.434966 0.690759 Cr\n0.250000 0.248754 0.468444 Cr\n0.750000 0.692588 0.251090 Cr\n0.750000 0.130827 0.541858 Cr\n0.750000 0.864275 0.341581 Cr\n0.503467 0.940106 0.622049 Cr\n0.250000 0.869173 0.458142 Cr\n0.009900 0.136866 0.825723 Cr\n0.996533 0.440106 0.877951 Cr\n0.250000 0.065034 0.190759 Cr\n0.750000 0.192588 0.248910 Cr\n0.003468 0.559894 0.122049 Cr\n0.496532 0.559894 0.122049 Cr\n0.750000 0.630827 0.958142 Cr\n0.750000 0.040158 0.092738 Cr\n0.490100 0.636866 0.674277 Cr\n0.250000 0.203499 0.300689 Ge\n0.250000 0.991451 0.755386 Ge\n0.750000 0.051428 0.939213 Ge\n0.250000 0.056529 0.517160 Ge\n0.501832 0.787766 0.888441 Ge\n0.250000 0.556529 0.982840 Ge\n0.750000 0.587851 0.804256 Ge\n0.250000 0.491451 0.744614 Ge\n0.750000 0.087851 0.695744 Ge\n0.498168 0.712234 0.388441 Ge\n0.001832 0.212234 0.111559 Ge\n0.250000 0.776032 0.594439 Ge\n0.250000 0.276032 0.905561 Ge\n0.501832 0.287766 0.611559 Ge\n0.750000 0.008549 0.244614 Ge\n0.750000 0.443471 0.017160 Ge\n0.750000 0.551428 0.560787 Ge\n0.750000 0.508549 0.255386 Ge\n0.250000 0.912149 0.304256 Ge\n0.498168 0.212234 0.111559 Ge\n0.750000 0.223968 0.405561 Ge\n0.250000 0.412149 0.195744 Ge\n0.750000 0.796501 0.699311 Ge\n0.998168 0.787766 0.888441 Ge\n0.250000 0.703499 0.199311 Ge\n0.750000 0.296501 0.800689 Ge\n0.750000 0.723968 0.094439 Ge\n0.001832 0.712234 0.388441 Ge\n0.998168 0.287766 0.611559 Ge\n0.750000 0.943471 0.482840 Ge\n0.250000 0.948572 0.060787 Ge\n0.250000 0.448572 0.439213 Ge\n",
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"elements": [
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"density": 7.493260147748355,
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"volume": 1022.1076186322936,
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"formula_full": "Cr44 Ge32",
"formula_reduced": "Cr11Ge8",
"formula_anonymous": "A8B11",
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"spacegroup": 62
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{
"id": "mp-1213391",
"created_at": "2022-09-04T14:45:56.797311Z",
"structure_string": "Dy8 Cr8 O40\n1.0\n5.910956 0.000000 -5.755778\n-5.848855 0.000000 -5.910740\n0.000000 11.570899 0.000000\nDy Cr O\n8 8 40\ndirect\n0.865547 0.666905 0.561690 Dy\n0.134453 0.333095 0.438310 Dy\n0.634453 0.833095 0.061690 Dy\n0.365547 0.166905 0.938310 Dy\n0.068456 0.821919 0.078144 Dy\n0.931544 0.178081 0.921856 Dy\n0.431544 0.678081 0.578144 Dy\n0.568456 0.321919 0.421856 Dy\n0.139229 0.001750 0.671734 Cr\n0.860771 0.998250 0.328266 Cr\n0.360771 0.498250 0.171734 Cr\n0.639229 0.501750 0.828266 Cr\n0.361209 0.954739 0.310647 Cr\n0.638791 0.045261 0.689353 Cr\n0.138791 0.545261 0.810647 Cr\n0.861209 0.454739 0.189353 Cr\n0.310016 0.917532 0.630265 O\n0.689984 0.082468 0.369735 O\n0.189984 0.582468 0.130265 O\n0.810016 0.417532 0.869735 O\n0.161750 0.595890 0.516005 O\n0.838250 0.404110 0.483995 O\n0.338250 0.904110 0.016005 O\n0.661750 0.095890 0.983995 O\n0.657078 0.567447 0.689718 O\n0.342922 0.432553 0.310282 O\n0.842922 0.932553 0.189718 O\n0.157078 0.067447 0.810282 O\n0.425842 0.815100 0.401669 O\n0.574158 0.184900 0.598331 O\n0.074158 0.684900 0.901669 O\n0.925842 0.315100 0.098331 O\n0.903258 0.844796 0.414947 O\n0.096742 0.155204 0.585053 O\n0.596742 0.655204 0.914947 O\n0.403258 0.344796 0.085053 O\n0.997681 0.861876 0.665044 O\n0.002319 0.138124 0.334956 O\n0.502319 0.638124 0.165044 O\n0.497681 0.361876 0.834956 O\n0.186212 0.892917 0.258274 O\n0.813788 0.107083 0.741726 O\n0.313788 0.607083 0.758274 O\n0.686212 0.392917 0.241726 O\n0.483849 0.977513 0.195085 O\n0.516151 0.022487 0.804915 O\n0.016151 0.522487 0.695085 O\n0.983849 0.477513 0.304915 O\n0.644498 0.579756 0.459663 O\n0.355502 0.420244 0.540337 O\n0.855502 0.920244 0.959663 O\n0.144498 0.079756 0.040337 O\n0.842035 0.632588 0.119068 O\n0.157965 0.367412 0.880932 O\n0.657965 0.867412 0.619068 O\n0.342035 0.132588 0.380932 O\n",
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"volume": 793.7964749175256,
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"formula_full": "Dy8 Cr8 O40",
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"updated_at": "2021-11-28T01:37:10.168000Z",
"spacegroup": 14
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{
"id": "mp-1113059",
"created_at": "2022-09-04T14:45:56.804098Z",
"structure_string": "Cs2 K1 Al1 Cl6\n1.0\n0.000000 5.403494 5.403494\n5.403494 0.000000 5.403494\n5.403494 5.403494 0.000000\nCs K Al Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Al\n0.782060 0.217940 0.217940 Cl\n0.217940 0.217940 0.782060 Cl\n0.217940 0.782060 0.782060 Cl\n0.217940 0.782060 0.217940 Cl\n0.782060 0.217940 0.782060 Cl\n0.782060 0.782060 0.217940 Cl\n",
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"elements": [
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],
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"formula_full": "Cs2 K1 Al1 Cl6",
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"spacegroup": 225
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{
"id": "mp-1197210",
"created_at": "2022-09-04T14:45:56.807609Z",
"structure_string": "K2 Na4 P6 H14 N6 O16\n1.0\n8.025173 0.076788 1.000568\n1.661693 7.746088 2.041868\n0.095271 0.030009 8.658174\nK Na P H N O\n2 4 6 14 6 16\ndirect\n0.636430 0.702780 0.442676 K\n0.363570 0.297220 0.557324 K\n0.930927 0.986513 0.339832 Na\n0.069073 0.013487 0.660168 Na\n0.146401 0.156009 0.990683 Na\n0.853599 0.843991 0.009317 Na\n0.252933 0.712812 0.154223 P\n0.747067 0.287188 0.845777 P\n0.558171 0.160710 0.154553 P\n0.441829 0.839290 0.845447 P\n0.787737 0.407595 0.132738 P\n0.212263 0.592405 0.867262 P\n0.540900 0.715514 0.093185 H\n0.459100 0.284486 0.906815 H\n0.252640 0.434478 0.127116 H\n0.747360 0.565522 0.872884 H\n0.511635 0.417140 0.229504 H\n0.488365 0.582860 0.770496 H\n0.977552 0.701734 0.630790 H\n0.022448 0.298266 0.369210 H\n0.063411 0.637849 0.476700 H\n0.936589 0.362151 0.523300 H\n0.258152 0.834848 0.400499 H\n0.741848 0.165152 0.599501 H\n0.281233 0.029273 0.343442 H\n0.718767 0.970727 0.656558 H\n0.424839 0.782812 0.048136 N\n0.575161 0.217188 0.951864 N\n0.216776 0.562312 0.067876 N\n0.783224 0.437688 0.932124 N\n0.616063 0.319863 0.217318 N\n0.383937 0.680137 0.782682 N\n0.101070 0.864196 0.132732 O\n0.898930 0.135804 0.867268 O\n0.684283 0.992240 0.210377 O\n0.315717 0.007760 0.789623 O\n0.304698 0.624923 0.323787 O\n0.695302 0.375077 0.676213 O\n0.946861 0.273321 0.187808 O\n0.053139 0.726679 0.812192 O\n0.754999 0.584496 0.169246 O\n0.245001 0.415504 0.830754 O\n0.369090 0.176346 0.206314 O\n0.630910 0.823654 0.793686 O\n0.954208 0.694766 0.523235 O\n0.045792 0.305234 0.476765 O\n0.226045 0.947669 0.429623 O\n0.773955 0.052331 0.570377 O\n",
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"formula_full": "K2 Na4 P6 H14 N6 O16",
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{
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"structure_string": "Na1 Mg14 Sb1 O16\n1.0\n8.678087 0.000000 -0.000000\n-0.000000 8.678087 -0.000000\n-0.000000 -0.000000 4.365177\nNa Mg Sb O\n1 14 1 16\ndirect\n0.000000 -0.000000 -0.000000 Na\n0.000000 0.500000 -0.000000 Mg\n0.500000 -0.000000 -0.000000 Mg\n0.000000 0.244481 0.500000 Mg\n0.000000 0.755519 0.500000 Mg\n0.500000 0.235486 0.500000 Mg\n0.500000 0.764513 0.500000 Mg\n0.244481 -0.000000 0.500000 Mg\n0.235486 0.500000 0.500000 Mg\n0.755519 -0.000000 0.500000 Mg\n0.764513 0.500000 0.500000 Mg\n0.240099 0.240099 -0.000000 Mg\n0.240099 0.759901 -0.000000 Mg\n0.759901 0.240099 0.000000 Mg\n0.759901 0.759901 0.000000 Mg\n0.500000 0.500000 -0.000000 Sb\n0.263746 -0.000000 -0.000000 O\n0.239616 0.500000 -0.000000 O\n0.736254 -0.000000 -0.000000 O\n0.760384 0.500000 0.000000 O\n0.252532 0.252532 0.500000 O\n0.252532 0.747468 0.500000 O\n0.747468 0.252532 0.500000 O\n0.747468 0.747468 0.500000 O\n0.000000 -0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.263746 0.000000 O\n0.000000 0.736254 -0.000000 O\n0.500000 0.239616 -0.000000 O\n0.500000 0.760384 0.000000 O\n",
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{
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"structure_string": "La12 Cu6 O24\n1.0\n2.690708 -19.757996 0.000000\n2.690708 19.757996 0.000000\n0.000000 0.000000 5.439275\nLa Cu O\n12 6 24\ndirect\n0.203485 0.796515 0.488026 La\n0.129600 0.870400 0.990326 La\n0.870400 0.129600 0.490326 La\n0.796515 0.203485 0.988026 La\n0.703629 0.296371 0.010158 La\n0.629716 0.370284 0.509402 La\n0.537016 0.462984 0.503523 La\n0.462984 0.537016 0.003523 La\n0.370284 0.629716 0.009402 La\n0.296371 0.703629 0.510158 La\n0.036694 0.963306 0.993759 La\n0.963306 0.036694 0.493759 La\n0.749921 0.250079 0.499435 Cu\n0.583191 0.416809 0.999360 Cu\n0.416809 0.583191 0.499360 Cu\n0.250079 0.749921 0.999435 Cu\n0.083089 0.916911 0.496095 Cu\n0.916911 0.083089 0.996095 Cu\n0.831863 0.664872 0.246575 O\n0.188015 0.811985 0.035574 O\n0.145002 0.854998 0.527768 O\n0.501885 0.997597 0.250359 O\n0.498115 0.002403 0.750359 O\n0.335128 0.168137 0.246575 O\n0.854998 0.145002 0.027768 O\n0.811985 0.188015 0.535574 O\n0.687944 0.312056 0.463153 O\n0.645456 0.354544 0.963293 O\n0.163635 0.330441 0.248458 O\n0.168137 0.335128 0.746575 O\n0.002403 0.498115 0.250359 O\n0.997597 0.501885 0.750359 O\n0.520705 0.479295 0.938039 O\n0.479295 0.520705 0.438039 O\n0.354544 0.645456 0.463293 O\n0.312056 0.687944 0.963153 O\n0.836365 0.669559 0.748458 O\n0.669559 0.836365 0.248458 O\n0.664872 0.831863 0.746575 O\n0.021567 0.978433 0.480213 O\n0.978433 0.021567 0.980213 O\n0.330441 0.163635 0.748458 O\n",
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{
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{
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{
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