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{
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"results": [
{
"id": "mp-14659",
"created_at": "2022-09-04T14:44:10.069938Z",
"structure_string": "K4 As4 Se8\n1.0\n5.616487 3.969078 0.000000\n-5.616487 3.969078 0.000000\n0.000000 3.818081 12.308697\nK As Se\n4 4 8\ndirect\n0.789800 0.340911 0.255504 K\n0.126067 0.133073 0.495013 K\n0.340911 0.789800 0.755504 K\n0.133073 0.126067 0.995013 K\n0.407925 0.695049 0.176622 As\n0.541861 0.696113 0.444402 As\n0.695049 0.407925 0.676622 As\n0.696113 0.541861 0.944402 As\n0.311133 0.324673 0.208743 Se\n0.612806 0.848027 0.983909 Se\n0.582527 0.013048 0.497651 Se\n0.731262 0.819016 0.247992 Se\n0.324673 0.311133 0.708743 Se\n0.848027 0.612806 0.483909 Se\n0.013048 0.582527 0.997651 Se\n0.819016 0.731262 0.747992 Se\n",
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"spacegroup": 9
},
{
"id": "mp-1197254",
"created_at": "2022-09-04T14:39:37.238334Z",
"structure_string": "Ca12 Cu12 Ge12\n1.0\n4.360141 0.000000 0.000000\n0.000000 7.506762 0.000000\n0.000000 0.000000 21.471191\nCa Cu Ge\n12 12 12\ndirect\n0.264258 0.715466 0.498529 Ca\n0.764258 0.284534 0.501471 Ca\n0.764258 0.215466 0.001471 Ca\n0.264258 0.784534 0.998529 Ca\n0.761741 0.206695 0.666228 Ca\n0.261741 0.793305 0.333772 Ca\n0.261741 0.706695 0.833772 Ca\n0.761741 0.293305 0.166228 Ca\n0.259858 0.794423 0.667107 Ca\n0.759858 0.205577 0.332893 Ca\n0.759858 0.294423 0.832893 Ca\n0.259858 0.705577 0.167107 Ca\n0.750505 0.584058 0.596941 Cu\n0.250505 0.415942 0.403059 Cu\n0.250505 0.084058 0.903059 Cu\n0.750505 0.915942 0.096941 Cu\n0.754476 0.587339 0.735397 Cu\n0.254476 0.412661 0.264603 Cu\n0.254476 0.087339 0.764603 Cu\n0.754476 0.912661 0.235397 Cu\n0.254665 0.078441 0.563077 Cu\n0.754665 0.921559 0.436923 Cu\n0.754665 0.578441 0.936923 Cu\n0.254665 0.421559 0.063077 Cu\n0.254196 0.419704 0.729628 Ge\n0.754196 0.580296 0.270372 Ge\n0.754196 0.919704 0.770372 Ge\n0.254196 0.080296 0.229628 Ge\n0.755497 0.908585 0.569780 Ge\n0.255497 0.091415 0.430220 Ge\n0.255497 0.408585 0.930220 Ge\n0.755497 0.591415 0.069780 Ge\n0.254803 0.415257 0.601851 Ge\n0.754803 0.584743 0.398149 Ge\n0.754803 0.915257 0.898149 Ge\n0.254803 0.084743 0.101851 Ge\n",
"nsites": 36,
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"elements": [
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"chemical_system": "Ca-Cu-Ge",
"density": 4.997866472054319,
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"volume": 702.7636924798609,
"volume_molar": 11.755949658697435,
"formula_full": "Ca12 Cu12 Ge12",
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"spacegroup": 33
},
{
"id": "mp-10886",
"created_at": "2022-09-04T14:46:19.669806Z",
"structure_string": "Al3 Cu2\n1.0\n2.068993 -3.583601 0.000000\n2.068993 3.583601 0.000000\n0.000000 0.000000 5.030834\nAl Cu\n3 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.333333 0.666667 0.352033 Al\n0.666667 0.333333 0.647967 Al\n0.333333 0.666667 0.840868 Cu\n0.666667 0.333333 0.159132 Cu\n",
"nsites": 5,
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"volume": 74.60168785585773,
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"formula_full": "Al3 Cu2",
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"energy": -20.22671295,
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"updated_at": "2021-11-28T01:37:26.804000Z",
"spacegroup": 164
},
{
"id": "mp-1112217",
"created_at": "2022-09-04T14:41:32.529227Z",
"structure_string": "K2 Ta1 Cu1 Br6\n1.0\n0.000000 5.319697 5.319697\n5.319697 0.000000 5.319697\n5.319697 5.319697 0.000000\nK Ta Cu Br\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Cu\n0.251396 0.251396 0.748604 Br\n0.251396 0.748604 0.748604 Br\n0.748604 0.748604 0.251396 Br\n0.251396 0.748604 0.251396 Br\n0.748604 0.251396 0.748604 Br\n0.748604 0.251396 0.251396 Br\n",
"nsites": 10,
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"elements": [
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],
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"density_atomic": 0.03321309250955208,
"volume": 301.0860851672876,
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"formula_full": "K2 Ta1 Cu1 Br6",
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"updated_at": "2021-11-28T01:35:11.102000Z",
"spacegroup": 225
},
{
"id": "mp-1063314",
"created_at": "2022-09-04T14:44:20.656805Z",
"structure_string": "Ca2 Rh1\n1.0\n0.000000 3.481041 3.481041\n3.481041 0.000000 3.481041\n3.481041 3.481041 0.000000\nCa Rh\n2 1\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Rh\n",
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"elements": [
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"volume": 84.36404818791549,
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"energy": -12.13727634,
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"updated_at": "2021-11-28T01:36:36.775000Z",
"spacegroup": 225
},
{
"id": "mp-567799",
"created_at": "2022-09-04T14:42:59.300738Z",
"structure_string": "Ca56 Al4 Sb44\n1.0\n-8.368964 8.368964 11.249400\n8.368964 -8.368964 11.249400\n8.368964 8.368964 -11.249400\nCa Al Sb\n56 4 44\ndirect\n0.491418 0.095942 0.350098 Ca\n0.004156 0.108680 0.850098 Ca\n0.352064 0.374722 0.660819 Ca\n0.858680 0.508582 0.604524 Ca\n0.404058 0.008582 0.649902 Ca\n0.125000 0.729536 0.104536 Ca\n0.258582 0.154058 0.149902 Ca\n0.472367 0.252181 0.132903 Ca\n0.277633 0.997819 0.367097 Ca\n0.625278 0.286096 0.977342 Ca\n0.089464 0.722367 0.720187 Ca\n0.441246 0.602064 0.477342 Ca\n0.213904 0.874722 0.022658 Ca\n0.125278 0.147936 0.339181 Ca\n0.245844 0.595942 0.604524 Ca\n0.504156 0.654058 0.895476 Ca\n0.770464 0.375000 0.895464 Ca\n0.397936 0.875278 0.839181 Ca\n0.630723 0.910536 0.632903 Ca\n0.479536 0.875000 0.104536 Ca\n0.125000 0.229536 0.604536 Ca\n0.625000 0.020464 0.895464 Ca\n0.345942 0.241418 0.850098 Ca\n0.358680 0.754156 0.350098 Ca\n0.247819 0.027633 0.867097 Ca\n0.941246 0.463904 0.839181 Ca\n0.747819 0.880723 0.220187 Ca\n0.036096 0.558754 0.160819 Ca\n0.777633 0.410536 0.279813 Ca\n0.160536 0.380723 0.132903 Ca\n0.308754 0.647936 0.022658 Ca\n0.002181 0.369277 0.279813 Ca\n0.619277 0.752181 0.779813 Ca\n0.660536 0.527633 0.779813 Ca\n0.270464 0.375000 0.395464 Ca\n0.758582 0.608680 0.104524 Ca\n0.991418 0.641320 0.395476 Ca\n0.852064 0.191246 0.977342 Ca\n0.897936 0.058754 0.522658 Ca\n0.713904 0.691246 0.339181 Ca\n0.845942 0.995844 0.104524 Ca\n0.119277 0.339464 0.867097 Ca\n0.904058 0.254156 0.395476 Ca\n0.891320 0.741418 0.895476 Ca\n0.502181 0.222367 0.632903 Ca\n0.625000 0.520464 0.395464 Ca\n0.624722 0.102064 0.160819 Ca\n0.589464 0.869277 0.367097 Ca\n0.130723 0.497819 0.720187 Ca\n0.979536 0.875000 0.604536 Ca\n0.391320 0.495844 0.149902 Ca\n0.536096 0.375278 0.477342 Ca\n0.124722 0.963904 0.522658 Ca\n0.972367 0.839464 0.220187 Ca\n0.808754 0.786096 0.660819 Ca\n0.745844 0.141320 0.649902 Ca\n0.500000 0.500000 0.000000 Al\n0.750000 0.250000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.250000 0.750000 0.500000 Al\n0.796614 0.937707 0.866609 Sb\n0.447349 0.542022 0.644534 Sb\n0.385371 0.385371 0.270742 Sb\n0.864629 0.635371 0.500000 Sb\n0.292022 0.147488 0.594673 Sb\n0.571097 0.437707 0.141092 Sb\n0.953386 0.312293 0.633391 Sb\n0.562293 0.703386 0.133391 Sb\n0.687707 0.321097 0.641092 Sb\n0.187707 0.546614 0.366609 Sb\n0.453386 0.819995 0.641092 Sb\n0.302651 0.707978 0.855466 Sb\n0.792022 0.197349 0.144534 Sb\n0.552815 0.697349 0.405327 Sb\n0.062293 0.928903 0.858908 Sb\n0.947349 0.302815 0.905327 Sb\n0.750000 0.750000 0.000000 Sb\n0.852512 0.447185 0.144534 Sb\n0.635371 0.135371 0.770742 Sb\n0.697185 0.602512 0.644534 Sb\n0.957978 0.052651 0.355466 Sb\n0.802651 0.947185 0.594673 Sb\n0.500000 0.000000 0.500000 Sb\n0.114629 0.114629 0.729258 Sb\n0.052815 0.647488 0.855466 Sb\n0.069995 0.203386 0.141092 Sb\n0.296614 0.430005 0.858908 Sb\n0.397488 0.042022 0.094673 Sb\n0.897488 0.802815 0.355466 Sb\n0.180005 0.821097 0.633391 Sb\n0.000000 0.500000 0.500000 Sb\n0.197185 0.552651 0.094673 Sb\n0.135371 0.364629 0.500000 Sb\n0.178903 0.812293 0.358908 Sb\n0.457978 0.102512 0.905327 Sb\n0.071097 0.930005 0.133391 Sb\n0.678903 0.319995 0.366609 Sb\n0.352512 0.207978 0.405327 Sb\n0.250000 0.250000 0.000000 Sb\n0.569995 0.428903 0.866609 Sb\n0.680005 0.046614 0.358908 Sb\n0.885371 0.614629 0.000000 Sb\n0.614629 0.885371 0.000000 Sb\n0.364629 0.864629 0.229258 Sb\n",
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],
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"volume": 3151.6120345580803,
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"formula_full": "Ca56 Al4 Sb44",
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"spacegroup": 142
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{
"id": "mp-571169",
"created_at": "2022-09-04T14:40:36.952755Z",
"structure_string": "In2 Bi4 Se8 Br2\n1.0\n2.086032 10.629405 0.000000\n-2.086032 10.629405 0.000000\n0.000000 5.997023 10.795413\nIn Bi Se Br\n2 4 8 2\ndirect\n0.837090 0.837090 0.437249 In\n0.162910 0.162910 0.562751 In\n0.202659 0.202659 0.903078 Bi\n0.797341 0.797341 0.096922 Bi\n0.450495 0.450495 0.771137 Bi\n0.549505 0.549505 0.228863 Bi\n0.960919 0.960919 0.221701 Se\n0.178072 0.178072 0.143592 Se\n0.714741 0.714741 0.651754 Se\n0.596476 0.596476 0.977193 Se\n0.403524 0.403524 0.022807 Se\n0.821928 0.821928 0.856408 Se\n0.039081 0.039081 0.778299 Se\n0.285259 0.285259 0.348246 Se\n0.397912 0.397912 0.529834 Br\n0.602088 0.602088 0.470166 Br\n",
"nsites": 16,
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"elements": [
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"volume": 478.7394081114564,
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{
"id": "mp-21779",
"created_at": "2022-09-04T14:39:14.042999Z",
"structure_string": "Ca12 Cu12 Ge12\n1.0\n4.368506 0.000000 0.000000\n0.000000 7.499430 0.000000\n0.000000 0.000000 21.358037\nCa Cu Ge\n12 12 12\ndirect\n0.250000 0.714342 0.001552 Ca\n0.750000 0.285658 0.998448 Ca\n0.750000 0.214342 0.498448 Ca\n0.250000 0.785658 0.501552 Ca\n0.250000 0.792070 0.166289 Ca\n0.750000 0.207930 0.833711 Ca\n0.750000 0.292070 0.333711 Ca\n0.250000 0.707930 0.666289 Ca\n0.250000 0.706172 0.333168 Ca\n0.750000 0.293828 0.666832 Ca\n0.750000 0.206172 0.166832 Ca\n0.250000 0.793828 0.833168 Ca\n0.250000 0.414517 0.097373 Cu\n0.750000 0.585483 0.902627 Cu\n0.750000 0.914517 0.402627 Cu\n0.250000 0.085483 0.597373 Cu\n0.250000 0.413082 0.235124 Cu\n0.750000 0.586918 0.764876 Cu\n0.750000 0.913082 0.264876 Cu\n0.250000 0.086918 0.735124 Cu\n0.250000 0.419035 0.436169 Cu\n0.750000 0.580965 0.563831 Cu\n0.750000 0.919035 0.063831 Cu\n0.250000 0.080965 0.936169 Cu\n0.250000 0.090338 0.068822 Ge\n0.750000 0.909662 0.931178 Ge\n0.750000 0.590338 0.431178 Ge\n0.250000 0.409662 0.568822 Ge\n0.250000 0.082197 0.269077 Ge\n0.750000 0.917803 0.730923 Ge\n0.750000 0.582197 0.230923 Ge\n0.250000 0.417803 0.769077 Ge\n0.250000 0.084903 0.398326 Ge\n0.750000 0.915097 0.601674 Ge\n0.750000 0.584903 0.101674 Ge\n0.250000 0.415097 0.898326 Ge\n",
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{
"id": "mp-1071422",
"created_at": "2022-09-04T14:45:57.693823Z",
"structure_string": "Ce2 Ag4\n1.0\n-2.489575 3.265021 4.281735\n2.489575 -3.265021 4.281735\n2.489575 3.265021 -4.281735\nCe Ag\n2 4\ndirect\n0.231953 0.481953 0.750000 Ce\n0.768047 0.518047 0.250000 Ce\n0.352681 0.833534 0.519147 Ag\n0.647319 0.166466 0.480853 Ag\n0.185612 0.166466 0.019147 Ag\n0.814388 0.833534 0.980853 Ag\n",
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