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{
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"updated_at": "2021-11-28T01:36:02.733000Z",
"spacegroup": 14
},
{
"id": "mp-648164",
"created_at": "2022-09-04T14:44:31.308512Z",
"structure_string": "Mn2 Hg1 C10 O10\n1.0\n-6.381537 0.000000 0.000000\n0.933921 6.313891 0.000000\n-0.116254 -1.205978 -9.511417\nMn Hg C O\n2 1 10 10\ndirect\n0.866714 0.184863 0.241767 Mn\n0.133286 0.815137 0.758233 Mn\n0.000000 0.000000 0.000000 Hg\n0.026668 0.428838 0.188502 C\n0.641673 0.232326 0.134351 C\n0.225625 0.685790 0.593366 C\n0.973332 0.571162 0.811498 C\n0.358327 0.767674 0.865649 C\n0.727480 0.911596 0.258527 C\n0.108976 0.112083 0.318141 C\n0.774375 0.314210 0.406634 C\n0.272520 0.088404 0.741473 C\n0.891024 0.887917 0.681859 C\n0.498847 0.262362 0.069987 O\n0.123227 0.584665 0.157350 O\n0.359112 0.257886 0.728598 O\n0.876773 0.415335 0.842650 O\n0.258551 0.068807 0.368588 O\n0.741449 0.931193 0.631412 O\n0.501153 0.737638 0.930013 O\n0.719149 0.399393 0.512382 O\n0.280851 0.600607 0.487618 O\n0.640888 0.742114 0.271402 O\n",
"nsites": 23,
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"elements": [
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],
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"density": 2.5588848615335857,
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"volume": 383.2371433099773,
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"formula_full": "Mn2 Hg1 C10 O10",
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{
"id": "mp-1208295",
"created_at": "2022-09-04T14:41:19.060167Z",
"structure_string": "Ti8 Tl8 As8 O40\n1.0\n6.759182 0.000000 0.000000\n0.000000 10.981519 0.000000\n0.000000 0.000000 13.471477\nTi Tl As O\n8 8 8 40\ndirect\n0.267496 0.265559 0.253144 Ti\n0.732504 0.765559 0.746856 Ti\n0.232504 0.265559 0.753144 Ti\n0.767496 0.765559 0.246856 Ti\n0.500175 0.015175 0.130636 Ti\n0.499825 0.515175 0.869364 Ti\n0.999825 0.015175 0.630636 Ti\n0.000175 0.515175 0.369364 Ti\n0.202574 0.578929 0.104126 Tl\n0.797426 0.078929 0.895874 Tl\n0.297426 0.578929 0.604126 Tl\n0.702574 0.078929 0.395874 Tl\n0.782055 0.325973 0.124083 Tl\n0.217945 0.825973 0.875917 Tl\n0.717945 0.325973 0.624083 Tl\n0.282055 0.825973 0.375917 Tl\n0.004542 0.026004 0.180950 As\n0.995458 0.526004 0.819050 As\n0.495458 0.026004 0.680950 As\n0.504542 0.526004 0.319050 As\n0.336663 0.273702 0.999980 As\n0.663337 0.773702 0.000020 As\n0.163337 0.273702 0.499980 As\n0.836663 0.773702 0.500020 As\n0.040552 0.150989 0.257677 O\n0.959448 0.650989 0.742323 O\n0.459448 0.150989 0.757677 O\n0.540552 0.650989 0.242323 O\n0.450171 0.153536 0.218408 O\n0.549829 0.653536 0.781592 O\n0.049829 0.153536 0.718408 O\n0.950171 0.653536 0.281592 O\n0.499000 0.155927 0.013328 O\n0.501000 0.655927 0.986672 O\n0.001000 0.155927 0.513328 O\n0.999000 0.655927 0.486672 O\n0.301269 0.559950 0.390422 O\n0.698731 0.059950 0.609578 O\n0.198731 0.559950 0.890422 O\n0.801269 0.059950 0.109578 O\n0.028912 0.406960 0.487970 O\n0.971088 0.906960 0.512030 O\n0.471088 0.406960 0.987970 O\n0.528912 0.906960 0.012030 O\n0.315633 0.252411 0.398176 O\n0.684367 0.752411 0.601824 O\n0.184367 0.252411 0.898176 O\n0.815633 0.752411 0.101824 O\n0.206675 0.996366 0.108389 O\n0.793325 0.496366 0.891611 O\n0.293325 0.996366 0.608389 O\n0.706675 0.496366 0.391611 O\n0.461389 0.404937 0.240577 O\n0.538611 0.904937 0.759423 O\n0.038611 0.404937 0.740577 O\n0.961389 0.904937 0.259423 O\n0.057267 0.403099 0.280422 O\n0.942733 0.903099 0.719578 O\n0.442733 0.403099 0.780422 O\n0.557267 0.903099 0.219578 O\n0.192950 0.296345 0.104472 O\n0.807050 0.796345 0.895528 O\n0.307050 0.296345 0.604472 O\n0.692950 0.796345 0.395528 O\n",
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"formula_full": "Ti8 Tl8 As8 O40",
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{
"id": "mp-1209800",
"created_at": "2022-09-04T14:45:38.266893Z",
"structure_string": "Rb16 Zn8 Ge8 O32\n1.0\n0.000000 -5.795980 0.000000\n-11.555375 0.000000 0.000000\n0.000000 0.000000 -16.392722\nRb Zn Ge O\n16 8 8 32\ndirect\n0.966820 0.768211 0.629354 Rb\n0.033180 0.231789 0.129354 Rb\n0.033180 0.268211 0.629354 Rb\n0.966820 0.731789 0.129354 Rb\n0.986487 0.505067 0.755255 Rb\n0.013513 0.494933 0.255255 Rb\n0.013513 0.005067 0.755255 Rb\n0.986487 0.994933 0.255255 Rb\n0.463666 0.735168 0.999951 Rb\n0.536334 0.264832 0.499951 Rb\n0.536334 0.235168 0.999951 Rb\n0.463666 0.764832 0.499951 Rb\n0.492222 0.989990 0.875875 Rb\n0.507778 0.010010 0.375875 Rb\n0.507778 0.489990 0.875875 Rb\n0.492222 0.510010 0.375875 Rb\n0.981852 0.983970 0.004335 Zn\n0.018148 0.016030 0.504335 Zn\n0.018148 0.483970 0.004335 Zn\n0.981852 0.516030 0.504335 Zn\n0.487696 0.760734 0.751277 Zn\n0.512304 0.239266 0.251277 Zn\n0.512304 0.260734 0.751277 Zn\n0.487696 0.739266 0.251277 Zn\n0.479263 0.513268 0.625950 Ge\n0.520737 0.486732 0.125950 Ge\n0.520737 0.013268 0.625950 Ge\n0.479263 0.986732 0.125950 Ge\n0.989333 0.733031 0.880095 Ge\n0.010667 0.266969 0.380095 Ge\n0.010667 0.233031 0.880095 Ge\n0.989333 0.766969 0.380095 Ge\n0.419214 0.658086 0.658363 O\n0.580786 0.341914 0.158363 O\n0.580786 0.158086 0.658363 O\n0.419214 0.841914 0.158363 O\n0.740380 0.699181 0.820680 O\n0.259620 0.300819 0.320680 O\n0.259620 0.199181 0.820680 O\n0.740380 0.800819 0.320680 O\n0.900980 0.400409 0.418141 O\n0.099020 0.599591 0.918141 O\n0.099020 0.900409 0.418141 O\n0.900980 0.099591 0.918141 O\n0.777199 0.491761 0.600808 O\n0.222801 0.508239 0.100808 O\n0.222801 0.991761 0.600808 O\n0.777199 0.008239 0.100808 O\n0.790912 0.297779 0.818728 O\n0.209088 0.702221 0.318728 O\n0.209088 0.797779 0.818728 O\n0.790912 0.202221 0.318728 O\n0.692129 0.988004 0.537030 O\n0.307871 0.011996 0.037030 O\n0.307871 0.488004 0.537030 O\n0.692129 0.511996 0.037030 O\n0.914719 0.824903 0.963565 O\n0.085281 0.175097 0.463565 O\n0.085281 0.324903 0.963565 O\n0.914719 0.675097 0.463565 O\n0.593466 0.913724 0.705891 O\n0.406534 0.086276 0.205891 O\n0.406534 0.413724 0.705891 O\n0.593466 0.586276 0.205891 O\n",
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{
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"structure_string": "Mo8 P8 O44\n1.0\n6.394140 0.000000 0.000000\n0.000000 10.671167 0.000000\n0.000000 0.000000 12.781041\nMo P O\n8 8 44\ndirect\n0.750000 0.511753 0.250374 Mo\n0.750000 0.781284 0.006121 Mo\n0.250000 0.488247 0.749626 Mo\n0.250000 0.011753 0.249626 Mo\n0.250000 0.281284 0.493879 Mo\n0.750000 0.988247 0.750374 Mo\n0.250000 0.218716 0.993879 Mo\n0.750000 0.718716 0.506121 Mo\n0.250000 0.689390 0.976878 P\n0.250000 0.810610 0.476878 P\n0.250000 0.504630 0.158196 P\n0.750000 0.189390 0.523122 P\n0.750000 0.495370 0.841804 P\n0.250000 0.995370 0.658196 P\n0.750000 0.310610 0.023122 P\n0.750000 0.004630 0.341804 P\n0.750000 0.130646 0.408827 O\n0.750000 0.414679 0.103196 O\n0.250000 0.914679 0.396804 O\n0.556560 0.225585 0.026754 O\n0.250000 0.365344 0.657239 O\n0.443356 0.981002 0.728503 O\n0.443440 0.725585 0.473246 O\n0.250000 0.313827 0.881641 O\n0.056560 0.725585 0.473246 O\n0.556560 0.274415 0.526754 O\n0.943356 0.018998 0.271497 O\n0.250000 0.186173 0.381641 O\n0.250000 0.391444 0.090263 O\n0.556644 0.018998 0.271497 O\n0.750000 0.570360 0.555766 O\n0.250000 0.108556 0.590263 O\n0.250000 0.617803 0.672736 O\n0.250000 0.429640 0.444234 O\n0.750000 0.865344 0.842761 O\n0.943356 0.481002 0.771497 O\n0.056560 0.774415 0.973246 O\n0.443440 0.774415 0.973246 O\n0.443356 0.518998 0.228503 O\n0.250000 0.585321 0.896804 O\n0.750000 0.608556 0.909737 O\n0.750000 0.085321 0.603196 O\n0.250000 0.134656 0.157239 O\n0.556644 0.481002 0.771497 O\n0.056644 0.981002 0.728503 O\n0.250000 0.630646 0.091173 O\n0.750000 0.634656 0.342761 O\n0.750000 0.813827 0.618359 O\n0.750000 0.891444 0.409737 O\n0.943440 0.274415 0.526754 O\n0.750000 0.382197 0.327264 O\n0.943440 0.225585 0.026754 O\n0.056644 0.518998 0.228503 O\n0.750000 0.117803 0.827264 O\n0.250000 0.882197 0.172736 O\n0.750000 0.686173 0.118359 O\n0.750000 0.929640 0.055766 O\n0.750000 0.369354 0.908827 O\n0.250000 0.869354 0.591173 O\n0.250000 0.070360 0.944234 O\n",
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{
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