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{
"id": "mp-30308",
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"structure_string": "Tl8 Au8 F48\n1.0\n5.925775 0.000000 0.000000\n0.000000 5.925775 0.000000\n0.000000 0.000000 28.512391\nTl Au F\n8 8 48\ndirect\n0.660728 0.829732 0.266254 Tl\n0.339272 0.170268 0.766254 Tl\n0.829732 0.660728 0.733746 Tl\n0.329732 0.839272 0.016254 Tl\n0.670268 0.160728 0.516254 Tl\n0.839272 0.329732 0.983746 Tl\n0.160728 0.670268 0.483746 Tl\n0.170268 0.339272 0.233746 Tl\n0.821187 0.991242 0.382472 Au\n0.178813 0.008758 0.882472 Au\n0.991242 0.821187 0.617528 Au\n0.491242 0.678813 0.132472 Au\n0.508758 0.321187 0.632472 Au\n0.678813 0.491242 0.867528 Au\n0.321187 0.508758 0.367528 Au\n0.008758 0.178813 0.117528 Au\n0.433427 0.433427 0.500000 F\n0.066573 0.933427 0.750000 F\n0.933427 0.066573 0.250000 F\n0.566573 0.566573 0.000000 F\n0.959761 0.364990 0.499421 F\n0.040239 0.635010 0.999421 F\n0.364990 0.959761 0.500579 F\n0.864990 0.540239 0.249421 F\n0.135010 0.459761 0.749421 F\n0.540239 0.864990 0.750579 F\n0.459761 0.135010 0.250579 F\n0.635010 0.040239 0.000579 F\n0.087428 0.962811 0.423121 F\n0.912572 0.037189 0.923121 F\n0.962811 0.087428 0.576879 F\n0.537189 0.587428 0.673121 F\n0.462811 0.412572 0.173121 F\n0.167773 0.659828 0.569418 F\n0.832227 0.340172 0.069418 F\n0.659828 0.167773 0.430582 F\n0.340172 0.832227 0.930582 F\n0.840172 0.667773 0.819418 F\n0.332227 0.159828 0.680582 F\n0.667773 0.840172 0.180582 F\n0.176667 0.034483 0.168504 F\n0.465517 0.676667 0.418504 F\n0.534483 0.323333 0.918504 F\n0.676667 0.465517 0.581496 F\n0.323333 0.534483 0.081496 F\n0.823333 0.965517 0.668504 F\n0.034483 0.176667 0.831496 F\n0.965517 0.823333 0.331496 F\n0.064615 0.484311 0.411418 F\n0.015689 0.564615 0.661418 F\n0.984311 0.435385 0.161418 F\n0.564615 0.015689 0.338582 F\n0.435385 0.984311 0.838582 F\n0.935385 0.515689 0.911418 F\n0.484311 0.064615 0.588582 F\n0.515689 0.935385 0.088582 F\n0.167357 0.167357 0.000000 F\n0.332643 0.667357 0.250000 F\n0.667357 0.332643 0.750000 F\n0.832643 0.832643 0.500000 F\n0.037189 0.912572 0.076879 F\n0.587428 0.537189 0.326879 F\n0.412572 0.462811 0.826879 F\n0.159828 0.332227 0.319418 F\n",
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"formula_full": "Tl8 Au8 F48",
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"updated_at": "2021-11-28T01:36:29.309000Z",
"spacegroup": 92
},
{
"id": "mp-30988",
"created_at": "2022-09-04T14:44:05.941710Z",
"structure_string": "K2 Bi2 O4\n1.0\n4.104280 3.964688 0.000000\n-4.104280 3.964688 0.000000\n0.000000 3.486468 4.983236\nK Bi O\n2 2 4\ndirect\n0.868661 0.131339 0.750000 K\n0.131339 0.868661 0.250000 K\n0.599166 0.400834 0.250000 Bi\n0.400834 0.599166 0.750000 Bi\n0.240112 0.375149 0.221875 O\n0.624851 0.759888 0.278125 O\n0.375149 0.240112 0.721875 O\n0.759888 0.624851 0.778125 O\n",
"nsites": 8,
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],
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"density": 5.735481268350362,
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"updated_at": "2021-11-28T01:36:30.646000Z",
"spacegroup": 15
},
{
"id": "mp-1197697",
"created_at": "2022-09-04T14:44:05.982151Z",
"structure_string": "Mg24 H48 C48 O96\n1.0\n14.237659 0.000000 0.000000\n0.000000 7.655339 0.000000\n0.000000 0.000000 25.466350\nMg H C O\n24 48 48 96\ndirect\n0.959541 0.847470 0.670168 Mg\n0.040459 0.152530 0.170168 Mg\n0.540459 0.847470 0.170168 Mg\n0.459541 0.152530 0.670168 Mg\n0.840884 0.176568 0.624673 Mg\n0.159116 0.823432 0.124673 Mg\n0.659116 0.176568 0.124673 Mg\n0.340884 0.823432 0.624673 Mg\n0.834715 0.509398 0.704855 Mg\n0.165285 0.490602 0.204855 Mg\n0.665285 0.509398 0.204855 Mg\n0.334715 0.490602 0.704855 Mg\n0.581305 0.487027 0.386928 Mg\n0.418695 0.512973 0.886928 Mg\n0.918695 0.487027 0.886928 Mg\n0.081305 0.512973 0.386928 Mg\n0.589217 0.821144 0.463664 Mg\n0.410783 0.178856 0.963664 Mg\n0.910783 0.821144 0.963664 Mg\n0.089217 0.178856 0.463664 Mg\n0.708124 0.154608 0.422843 Mg\n0.291876 0.845392 0.922843 Mg\n0.791876 0.154608 0.922843 Mg\n0.208124 0.845392 0.422843 Mg\n0.000316 0.282251 0.756420 H\n0.999684 0.717749 0.256420 H\n0.499684 0.282251 0.256420 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C\n0.022602 0.317959 0.282228 C\n0.522602 0.682041 0.282228 C\n0.477398 0.317959 0.782228 C\n0.747970 0.981341 0.532258 C\n0.252030 0.018659 0.032258 C\n0.752030 0.981341 0.032258 C\n0.247970 0.018659 0.532258 C\n0.722672 0.795129 0.368069 C\n0.277328 0.204871 0.868069 C\n0.777328 0.795129 0.868069 C\n0.222672 0.204871 0.368069 C\n0.667299 0.463744 0.498268 C\n0.332701 0.536256 0.998268 C\n0.832701 0.463744 0.998268 C\n0.167299 0.536256 0.498268 C\n0.493188 0.126208 0.404298 C\n0.506812 0.873792 0.904298 C\n0.006812 0.126208 0.904298 C\n0.993188 0.873792 0.404298 C\n0.398082 0.653180 0.427720 C\n0.601918 0.346820 0.927720 C\n0.101918 0.653180 0.927720 C\n0.898082 0.346820 0.427720 C\n0.726599 0.313588 0.310284 C\n0.273401 0.686412 0.810284 C\n0.773401 0.313588 0.810284 C\n0.226599 0.686412 0.310284 C\n0.000161 0.048895 0.718721 O\n0.999839 0.951105 0.218721 O\n0.499839 0.048895 0.218721 O\n0.500161 0.951105 0.718721 O\n0.914349 0.281107 0.692632 O\n0.085651 0.718893 0.192632 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},
{
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"created_at": "2022-09-04T14:44:06.011993Z",
"structure_string": "Na2 Ca2 Si2 O8\n1.0\n7.158362 0.000000 0.000000\n0.000000 5.408328 0.000000\n0.000000 2.450139 4.867400\nNa Ca Si O\n2 2 2 8\ndirect\n0.750000 0.719378 0.658622 Na\n0.250000 0.280622 0.341378 Na\n0.500000 0.000000 0.000000 Ca\n0.000000 0.000000 0.000000 Ca\n0.250000 0.622836 0.667853 Si\n0.750000 0.377164 0.332147 Si\n0.250000 0.289430 0.766626 O\n0.750000 0.710570 0.233374 O\n0.750000 0.195925 0.667255 O\n0.250000 0.804075 0.332745 O\n0.440279 0.711744 0.784429 O\n0.940279 0.288256 0.215571 O\n0.559721 0.288256 0.215571 O\n0.059721 0.711744 0.784429 O\n",
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},
{
"id": "mp-744672",
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"structure_string": "Ca2 Mn2 Si4 H6 O17\n1.0\n3.018206 4.544376 0.000000\n-3.018206 4.544376 0.000000\n0.000000 0.869292 12.000225\nCa Mn Si H O\n2 2 4 6 17\ndirect\n0.702041 0.693655 0.733825 Ca\n0.306345 0.297959 0.266175 Ca\n0.505181 0.993473 0.000236 Mn\n0.006527 0.494819 0.999764 Mn\n0.040602 0.031395 0.851455 Si\n0.968605 0.959398 0.148545 Si\n0.113952 0.085399 0.604089 Si\n0.914601 0.886048 0.395911 Si\n0.950490 0.478394 0.507012 H\n0.521606 0.049510 0.492988 H\n0.439082 0.311866 0.674777 H\n0.688134 0.560918 0.325223 H\n0.394253 0.400599 0.801927 H\n0.599401 0.605747 0.198073 H\n0.873098 0.863870 0.920913 O\n0.136130 0.126902 0.079088 O\n0.986350 0.990281 0.720561 O\n0.009719 0.013650 0.279439 O\n0.357857 0.894915 0.873609 O\n0.105085 0.642143 0.126391 O\n0.650576 0.090983 0.127064 O\n0.909017 0.349424 0.872936 O\n0.066726 0.933274 0.500000 O\n0.426347 0.022382 0.613791 O\n0.977618 0.573653 0.386209 O\n0.591926 0.064839 0.411854 O\n0.935161 0.408074 0.588146 O\n0.362847 0.349351 0.942863 O\n0.650649 0.637153 0.057137 O\n0.421970 0.458896 0.723106 O\n0.541104 0.578030 0.276894 O\n",
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"formula_full": "Ca2 Mn2 Si4 H6 O17",
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},
{
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