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{
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{
"id": "mp-880027",
"created_at": "2022-09-04T14:39:37.233001Z",
"structure_string": "Li4 Mn12 O24\n1.0\n5.927040 0.000000 0.000000\n-0.171590 5.950503 0.000000\n-2.763911 -3.024214 12.483167\nLi Mn O\n4 12 24\ndirect\n0.614664 0.884266 0.245558 Li\n0.714864 0.113386 0.419593 Li\n0.374906 0.129029 0.751015 Li\n0.969090 0.868948 0.918994 Li\n0.493819 0.004079 0.000342 Mn\n0.493989 0.506118 0.996776 Mn\n0.838032 0.496839 0.163516 Mn\n0.337291 0.487966 0.167847 Mn\n0.161564 0.003351 0.330644 Mn\n0.161883 0.510814 0.328605 Mn\n0.494362 0.502163 0.501766 Mn\n0.995638 0.512484 0.497271 Mn\n0.843772 0.997672 0.668079 Mn\n0.845178 0.492096 0.671755 Mn\n0.168499 0.506098 0.834319 Mn\n0.666416 0.500821 0.834122 Mn\n0.740660 0.715369 0.010588 O\n0.287595 0.731099 0.011185 O\n0.575818 0.292201 0.154504 O\n0.589318 0.715937 0.161749 O\n0.083599 0.264876 0.175224 O\n0.097122 0.693952 0.171390 O\n0.396489 0.243356 0.320328 O\n0.941196 0.263967 0.321813 O\n0.368084 0.768398 0.326708 O\n0.924158 0.760030 0.344282 O\n0.230996 0.316924 0.486868 O\n0.236390 0.748484 0.484969 O\n0.757249 0.263249 0.511054 O\n0.757153 0.700949 0.514556 O\n0.056794 0.272554 0.655192 O\n0.633781 0.235270 0.673347 O\n0.636113 0.726581 0.679010 O\n0.060850 0.739280 0.676407 O\n0.931577 0.285233 0.825269 O\n0.929081 0.746816 0.822184 O\n0.408753 0.723784 0.843162 O\n0.400592 0.272915 0.840308 O\n0.254501 0.300352 0.985707 O\n0.697649 0.275800 0.988125 O\n",
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{
"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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"density": 4.997866472054319,
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"volume": 702.7636924798609,
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"formula_full": "Ca12 Cu12 Ge12",
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"spacegroup": 33
},
{
"id": "mp-1400988",
"created_at": "2022-09-04T14:39:37.241670Z",
"structure_string": "Ca1 V4 S8\n1.0\n7.192189 -3.279926 0.000000\n7.192189 3.279926 0.000000\n5.696411 0.000000 5.480548\nCa V S\n1 4 8\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.500000 0.500000 V\n0.500000 0.000000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.000000 V\n0.260247 0.765715 0.765715 S\n0.234285 0.234285 0.739753 S\n0.739753 0.234285 0.234285 S\n0.234285 0.739753 0.234285 S\n0.264856 0.264856 0.264856 S\n0.735144 0.735144 0.735144 S\n0.765715 0.260247 0.765715 S\n0.765715 0.765715 0.260247 S\n",
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"formula_full": "Ca1 V4 S8",
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{
"id": "mp-1235458",
"created_at": "2022-09-04T14:39:37.256888Z",
"structure_string": "Rb2 Li1 Pr2 W4 O16\n1.0\n4.168691 5.702722 -3.483756\n4.168691 -5.702722 -3.483756\n0.080830 0.000000 -7.514711\nRb Li Pr W O\n2 1 2 4 16\ndirect\n0.786362 0.213638 0.750000 Rb\n0.245586 0.754414 0.250000 Rb\n0.006523 0.993477 0.250000 Li\n0.227702 0.772298 0.750000 Pr\n0.755590 0.244410 0.250000 Pr\n0.288432 0.309519 0.709899 W\n0.708066 0.691387 0.292678 W\n0.690481 0.711568 0.790101 W\n0.308613 0.291934 0.207321 W\n0.352017 0.239312 0.955718 O\n0.644879 0.758215 0.044884 O\n0.760688 0.647983 0.544282 O\n0.241785 0.355121 0.455115 O\n0.624450 0.935798 0.635812 O\n0.381923 0.071440 0.360241 O\n0.064202 0.375550 0.864188 O\n0.928560 0.618077 0.139759 O\n0.419477 0.627362 0.525127 O\n0.576375 0.375611 0.481700 O\n0.372638 0.580523 0.974873 O\n0.624389 0.423625 0.018300 O\n0.209811 0.036499 0.831719 O\n0.790770 0.964487 0.186721 O\n0.963501 0.790189 0.668281 O\n0.035513 0.209230 0.313279 O\n",
"nsites": 25,
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"formula_full": "Rb2 Li1 Pr2 W4 O16",
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{
"id": "mp-2967",
"created_at": "2022-09-04T14:39:37.330772Z",
"structure_string": "La1 Co2 B2\n1.0\n-1.800762 1.800762 5.121363\n1.800762 -1.800762 5.121363\n1.800762 1.800762 -5.121363\nLa Co B\n1 2 2\ndirect\n0.000000 0.000000 0.000000 La\n0.750000 0.250000 0.500000 Co\n0.250000 0.750000 0.500000 Co\n0.666729 0.666729 0.000000 B\n0.333271 0.333271 0.000000 B\n",
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{
"id": "mp-1221942",
"created_at": "2022-09-04T14:39:37.340248Z",
"structure_string": "Mn2 Bi3 Sb3 O14\n1.0\n5.241956 -5.241947 0.101204\n-0.101259 -5.242004 -5.242003\n5.241965 0.101212 -5.241955\nMn Bi Sb O\n2 3 3 14\ndirect\n0.000008 0.500018 0.999959 Mn\n0.500009 0.999966 0.500070 Mn\n0.999998 0.999995 0.500002 Bi\n0.500001 0.000001 0.999995 Bi\n0.499995 0.500000 0.500002 Bi\n0.500000 0.500003 0.999996 Sb\n0.000000 0.500004 0.500004 Sb\n0.000000 0.000000 0.999997 Sb\n0.614152 0.114158 0.614151 O\n0.385844 0.885847 0.385840 O\n0.082261 0.181099 0.681093 O\n0.681095 0.181099 0.082261 O\n0.681096 0.582261 0.681095 O\n0.917737 0.818903 0.318902 O\n0.318904 0.818901 0.917737 O\n0.318902 0.417740 0.318901 O\n0.647286 0.590193 0.090194 O\n0.090196 0.590195 0.647281 O\n0.090192 0.147283 0.090195 O\n0.352711 0.409810 0.909805 O\n0.909807 0.409806 0.352715 O\n0.909806 0.852716 0.909805 O\n",
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{
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"structure_string": "Ho8 Mn2\n1.0\n0.000000 5.190175 5.190175\n5.190175 0.000000 5.190175\n5.190175 5.190175 0.000000\nHo Mn\n8 2\ndirect\n0.386596 0.386596 0.386596 Ho\n0.386596 0.386596 0.840213 Ho\n0.386596 0.840213 0.386596 Ho\n0.863404 0.863404 0.409787 Ho\n0.863404 0.863404 0.863404 Ho\n0.840213 0.386596 0.386596 Ho\n0.863404 0.409787 0.863404 Ho\n0.409787 0.863404 0.863404 Ho\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Mn\n",
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{
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{
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"structure_string": "Na7 W9 O27\n1.0\n6.864850 0.000000 0.000000\n-2.236963 8.547861 0.000000\n-0.006170 -1.888189 9.516400\nNa W O\n7 9 27\ndirect\n0.221999 0.666897 0.109558 Na\n0.888590 0.668025 0.444042 Na\n0.443996 0.330890 0.220966 Na\n0.555230 0.665152 0.778948 Na\n0.334052 0.002913 0.667406 Na\n0.110181 0.330938 0.555236 Na\n0.999533 0.002333 0.001736 Na\n0.722793 0.666891 0.111354 W\n0.943463 0.330594 0.220751 W\n0.613407 0.332085 0.555849 W\n0.833720 0.001018 0.667309 W\n0.389524 0.669336 0.442646 W\n0.165256 0.001507 0.334612 W\n0.278953 0.335547 0.886737 W\n0.499756 0.003675 0.000913 W\n0.053454 0.663989 0.778911 W\n0.612282 0.828381 0.053358 O\n0.828679 0.507221 0.167857 O\n0.716830 0.160982 0.108471 O\n0.957936 0.834156 0.221384 O\n0.109920 0.337236 0.062616 O\n0.548778 0.661444 0.280857 O\n0.334809 0.997164 0.159924 O\n0.781493 0.341841 0.384006 O\n0.939279 0.836772 0.721836 O\n0.275661 0.827231 0.392790 O\n0.720206 0.164344 0.610558 O\n0.498532 0.498103 0.497442 O\n0.836331 0.502618 0.660191 O\n0.061953 0.169599 0.277415 O\n0.384457 0.163338 0.441708 O\n0.602501 0.825534 0.557797 O\n0.170283 0.504223 0.338780 O\n0.440056 0.332754 0.717585 O\n0.223245 0.668351 0.611971 O\n0.661052 0.992456 0.837093 O\n0.895447 0.676590 0.941737 O\n0.005264 0.000428 0.504449 O\n0.385682 0.160519 0.945601 O\n0.174468 0.503861 0.830666 O\n0.489065 0.497034 0.002445 O\n0.285300 0.834817 0.890294 O\n0.062140 0.167877 0.781976 O\n",
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{
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