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{
"id": "mp-650285",
"created_at": "2022-09-04T14:42:11.812300Z",
"structure_string": "Mn28 Si46\n1.0\n4.986597 0.000000 0.000000\n0.000000 13.627633 0.000000\n0.000000 0.000000 13.981254\nMn Si\n28 46\ndirect\n0.500000 0.257357 0.541483 Mn\n0.500000 0.213118 0.737377 Mn\n0.000000 0.242643 0.041483 Mn\n0.000000 0.430250 0.940676 Mn\n0.000000 0.713118 0.762623 Mn\n0.500000 0.930250 0.559324 Mn\n0.500000 0.148926 0.026038 Mn\n0.500000 0.571689 0.171979 Mn\n0.500000 0.742643 0.458517 Mn\n0.000000 0.887279 0.257708 Mn\n0.500000 0.512935 0.576838 Mn\n0.500000 0.786882 0.262623 Mn\n0.500000 0.612721 0.757708 Mn\n0.500000 0.487065 0.423162 Mn\n0.500000 0.428311 0.828021 Mn\n0.000000 0.071689 0.328021 Mn\n0.000000 0.351074 0.526038 Mn\n0.000000 0.928311 0.671979 Mn\n0.000000 0.569750 0.059324 Mn\n0.000000 0.112721 0.742292 Mn\n0.000000 0.987065 0.076838 Mn\n0.000000 0.286882 0.237377 Mn\n0.000000 0.012935 0.923162 Mn\n0.500000 0.851074 0.973962 Mn\n0.500000 0.387279 0.242292 Mn\n0.500000 0.069750 0.440676 Mn\n0.000000 0.648926 0.473962 Mn\n0.000000 0.757357 0.958517 Mn\n0.000000 0.311419 0.820227 Si\n0.733671 0.096726 0.606751 Si\n0.500000 0.745884 0.847500 Si\n0.272816 0.611509 0.328487 Si\n0.500000 0.987389 0.084495 Si\n0.742043 0.338051 0.386175 Si\n0.257957 0.338051 0.386175 Si\n0.000000 0.754116 0.347500 Si\n0.500000 0.018843 0.737223 Si\n0.257957 0.661949 0.613825 Si\n0.000000 0.184294 0.463422 Si\n0.766329 0.403274 0.106751 Si\n0.272816 0.388491 0.671513 Si\n0.757957 0.838051 0.113825 Si\n0.500000 0.811419 0.679773 Si\n0.233671 0.596726 0.893249 Si\n0.766329 0.596726 0.893249 Si\n0.000000 0.481157 0.237223 Si\n0.727184 0.611509 0.328487 Si\n0.727184 0.388491 0.671513 Si\n0.757957 0.161949 0.886175 Si\n0.000000 0.815706 0.536578 Si\n0.500000 0.188581 0.320227 Si\n0.233671 0.403274 0.106751 Si\n0.500000 0.684294 0.036578 Si\n0.242043 0.161949 0.886175 Si\n0.000000 0.000000 0.500000 Si\n0.500000 0.012611 0.915505 Si\n0.742043 0.661949 0.613825 Si\n0.266329 0.903274 0.393249 Si\n0.772816 0.888491 0.828487 Si\n0.000000 0.688581 0.179773 Si\n0.500000 0.981157 0.262777 Si\n0.000000 0.245884 0.652500 Si\n0.242043 0.838051 0.113825 Si\n0.000000 0.518843 0.762777 Si\n0.266329 0.096726 0.606751 Si\n0.772816 0.111509 0.171513 Si\n0.733671 0.903274 0.393249 Si\n0.500000 0.315706 0.963422 Si\n0.500000 0.500000 0.000000 Si\n0.000000 0.512611 0.584495 Si\n0.500000 0.254116 0.152500 Si\n0.227184 0.888491 0.828487 Si\n0.227184 0.111509 0.171513 Si\n0.000000 0.487389 0.415505 Si\n",
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"volume_molar": 7.731967306607869,
"formula_full": "Mn28 Si46",
"formula_reduced": "Mn14Si23",
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"updated_at": "2021-11-28T01:35:37.689000Z",
"spacegroup": 58
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{
"id": "mp-29774",
"created_at": "2022-09-04T14:42:01.603591Z",
"structure_string": "Ho28 Ge46\n1.0\n2.870812 -6.877955 0.000000\n2.870812 6.877955 0.000000\n0.000000 0.000000 40.294956\nHo Ge\n28 46\ndirect\n0.722142 0.722142 0.000000 Ho\n0.277858 0.277858 0.500000 Ho\n0.745803 0.254197 0.750000 Ho\n0.254197 0.745803 0.250000 Ho\n0.239580 0.232250 0.785126 Ho\n0.232250 0.239580 0.214874 Ho\n0.760420 0.767750 0.285126 Ho\n0.767750 0.760420 0.714874 Ho\n0.744775 0.752969 0.857094 Ho\n0.752970 0.744776 0.142906 Ho\n0.255224 0.247031 0.357094 Ho\n0.247031 0.255225 0.642906 Ho\n0.265488 0.257758 0.930141 Ho\n0.257758 0.265489 0.069859 Ho\n0.734511 0.742242 0.430141 Ho\n0.742242 0.734511 0.569859 Ho\n0.239175 0.731818 0.822234 Ho\n0.731818 0.239175 0.177766 Ho\n0.760825 0.268182 0.322234 Ho\n0.268182 0.760825 0.677766 Ho\n0.767649 0.260877 0.892731 Ho\n0.260877 0.767649 0.107269 Ho\n0.232351 0.739123 0.392731 Ho\n0.739123 0.232351 0.607269 Ho\n0.242701 0.749217 0.962836 Ho\n0.749217 0.242701 0.037164 Ho\n0.757299 0.250783 0.462836 Ho\n0.250783 0.757299 0.537164 Ho\n0.197326 0.802674 0.750000 Ge\n0.802674 0.197326 0.250000 Ge\n0.588048 0.789017 0.777627 Ge\n0.789017 0.588048 0.222373 Ge\n0.411952 0.210983 0.277627 Ge\n0.210983 0.411952 0.722373 Ge\n0.194835 0.301105 0.857398 Ge\n0.301105 0.194835 0.142602 Ge\n0.805165 0.698895 0.357398 Ge\n0.698895 0.805165 0.642602 Ge\n0.715652 0.919904 0.937689 Ge\n0.919904 0.715652 0.062311 Ge\n0.284348 0.080096 0.437689 Ge\n0.080096 0.284348 0.562311 Ge\n0.116241 0.301374 0.995464 Ge\n0.301373 0.116241 0.004536 Ge\n0.883759 0.698627 0.495464 Ge\n0.698626 0.883759 0.504536 Ge\n0.834545 0.168080 0.819973 Ge\n0.168080 0.834545 0.180027 Ge\n0.165455 0.831920 0.319973 Ge\n0.831920 0.165455 0.680027 Ge\n0.333694 0.665237 0.894551 Ge\n0.665237 0.333694 0.105449 Ge\n0.666306 0.334763 0.394551 Ge\n0.334763 0.666306 0.605449 Ge\n0.587619 0.287966 0.829784 Ge\n0.287966 0.587619 0.170216 Ge\n0.412381 0.712034 0.329784 Ge\n0.712034 0.412381 0.670216 Ge\n0.210867 0.910648 0.885167 Ge\n0.910648 0.210867 0.114833 Ge\n0.789133 0.089352 0.385167 Ge\n0.089352 0.789133 0.614833 Ge\n0.687213 0.314695 0.966036 Ge\n0.314695 0.687213 0.033964 Ge\n0.312787 0.685305 0.466036 Ge\n0.685305 0.312787 0.533964 Ge\n0.834302 0.667604 0.787244 Ge\n0.667604 0.834302 0.212756 Ge\n0.165698 0.332396 0.287244 Ge\n0.332396 0.165698 0.712756 Ge\n0.825845 0.663850 0.926630 Ge\n0.663850 0.825845 0.073370 Ge\n0.174155 0.336150 0.426630 Ge\n0.336150 0.174155 0.573370 Ge\n",
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"volume": 1591.2732586611953,
"volume_molar": 12.94982642065082,
"formula_full": "Ho28 Ge46",
"formula_reduced": "Ho14Ge23",
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"energy": -387.8545631999999,
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"spacegroup": 20
},
{
"id": "mp-1217877",
"created_at": "2022-09-04T14:46:31.037405Z",
"structure_string": "Tb14 P24 Ir33\n1.0\n1.974591 11.874409 0.000000\n-1.974591 11.874409 0.000000\n0.000000 9.979492 24.896522\nTb P Ir\n14 24 33\ndirect\n0.580958 0.580958 0.372678 Tb\n0.582884 0.582884 0.872605 Tb\n0.417007 0.417007 0.127454 Tb\n0.417330 0.417330 0.627339 Tb\n0.770177 0.770177 0.346228 Tb\n0.766190 0.766190 0.844163 Tb\n0.234226 0.234226 0.155752 Tb\n0.234086 0.234086 0.655498 Tb\n0.498649 0.498649 0.251512 Tb\n0.499962 0.499962 0.749961 Tb\n0.631677 0.631677 0.001602 Tb\n0.633014 0.633014 0.501090 Tb\n0.369186 0.369186 0.496604 Tb\n0.368543 0.368543 0.998298 Tb\n0.633151 0.633151 0.211125 P\n0.633958 0.633958 0.710607 P\n0.366614 0.366614 0.289759 P\n0.366125 0.366125 0.789351 P\n0.114843 0.114843 0.084455 P\n0.115270 0.115270 0.584216 P\n0.882303 0.882303 0.413159 P\n0.885088 0.885088 0.915742 P\n0.985615 0.985615 0.165949 P\n0.985259 0.985259 0.665406 P\n0.011524 0.011524 0.337333 P\n0.014823 0.014823 0.834527 P\n0.766082 0.766082 0.058234 P\n0.766680 0.766680 0.557170 P\n0.239288 0.239288 0.441715 P\n0.233777 0.233777 0.941979 P\n0.938075 0.938075 0.037760 P\n0.938496 0.938496 0.536560 P\n0.063869 0.063869 0.461891 P\n0.061660 0.061660 0.962582 P\n0.811164 0.811164 0.189501 P\n0.811928 0.811928 0.689000 P\n0.188130 0.188130 0.310424 P\n0.188069 0.188069 0.810957 P\n0.779533 0.779533 0.462037 Ir\n0.780815 0.780815 0.963869 Ir\n0.219115 0.219115 0.036235 Ir\n0.220727 0.220727 0.537133 Ir\n0.090884 0.090884 0.175681 Ir\n0.090995 0.090995 0.675386 Ir\n0.905410 0.905410 0.321752 Ir\n0.908670 0.908670 0.824779 Ir\n0.448930 0.448930 0.373620 Ir\n0.458795 0.458795 0.869460 Ir\n0.541057 0.541057 0.130765 Ir\n0.541185 0.541185 0.630463 Ir\n0.166057 0.166057 0.403115 Ir\n0.161647 0.161647 0.903934 Ir\n0.838025 0.838025 0.096448 Ir\n0.838568 0.838568 0.595780 Ir\n0.110631 0.110631 0.273477 Ir\n0.111977 0.111977 0.771824 Ir\n0.888155 0.888155 0.226533 Ir\n0.888063 0.888063 0.728009 Ir\n0.705463 0.705463 0.257059 Ir\n0.704555 0.704555 0.757494 Ir\n0.296461 0.296461 0.243629 Ir\n0.295236 0.295236 0.742877 Ir\n0.500239 0.500239 0.999838 Ir\n0.501529 0.501529 0.499069 Ir\n0.974223 0.974223 0.436586 Ir\n0.972882 0.972882 0.937882 Ir\n0.027167 0.027167 0.062094 Ir\n0.027093 0.027093 0.562054 Ir\n0.334377 0.334377 0.887119 Ir\n0.665369 0.665369 0.113197 Ir\n0.665609 0.665609 0.612992 Ir\n",
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"updated_at": "2021-11-28T01:37:32.228000Z",
"spacegroup": 8
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{
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"created_at": "2022-09-04T14:43:39.518295Z",
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{
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{
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}