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{
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{
"id": "mp-1204208",
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"structure_string": "Th3 Cd33\n1.0\n9.430962 0.000000 0.000000\n0.000000 9.430962 0.000000\n0.000000 0.000000 9.430962\nTh Cd\n3 33\ndirect\n0.500000 0.000000 0.000000 Th\n0.000000 0.000000 0.500000 Th\n0.000000 0.500000 0.000000 Th\n0.500000 0.500000 0.500000 Cd\n0.154819 0.154819 0.845181 Cd\n0.154819 0.845181 0.154819 Cd\n0.845181 0.154819 0.154819 Cd\n0.845181 0.845181 0.845181 Cd\n0.845181 0.845181 0.154819 Cd\n0.845181 0.154819 0.845181 Cd\n0.154819 0.845181 0.845181 Cd\n0.154819 0.154819 0.154819 Cd\n0.000000 0.344431 0.655569 Cd\n0.344431 0.344431 0.000000 Cd\n0.344431 0.000000 0.655569 Cd\n0.000000 0.655569 0.344431 Cd\n0.344431 0.655569 0.000000 Cd\n0.344431 0.000000 0.344431 Cd\n0.000000 0.344431 0.344431 Cd\n0.655569 0.344431 0.000000 Cd\n0.655569 0.000000 0.344431 Cd\n0.000000 0.655569 0.655569 Cd\n0.655569 0.655569 0.000000 Cd\n0.655569 0.000000 0.655569 Cd\n0.500000 0.265611 0.734389 Cd\n0.265611 0.265611 0.500000 Cd\n0.265611 0.500000 0.734389 Cd\n0.500000 0.734389 0.265611 Cd\n0.265611 0.734389 0.500000 Cd\n0.265611 0.500000 0.265611 Cd\n0.500000 0.265611 0.265611 Cd\n0.734389 0.265611 0.500000 Cd\n0.734389 0.500000 0.265611 Cd\n0.500000 0.734389 0.734389 Cd\n0.734389 0.734389 0.500000 Cd\n0.734389 0.500000 0.734389 Cd\n",
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"volume": 838.8184704431009,
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"spacegroup": 221
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{
"id": "mp-1207543",
"created_at": "2022-09-04T14:43:20.487615Z",
"structure_string": "Zn20 Ge2 B16 Rh36\n1.0\n17.892312 0.000000 0.000000\n0.000000 17.892312 0.000000\n0.000000 0.000000 2.880888\nZn Ge B Rh\n20 2 16 36\ndirect\n0.550219 0.050219 0.000000 Zn\n0.449781 0.949781 0.000000 Zn\n0.050219 0.449781 0.000000 Zn\n0.949781 0.550219 0.000000 Zn\n0.032127 0.189901 0.000000 Zn\n0.967873 0.810099 0.000000 Zn\n0.189901 0.967873 0.000000 Zn\n0.532127 0.310099 0.000000 Zn\n0.810099 0.032127 0.000000 Zn\n0.467873 0.689901 0.000000 Zn\n0.689901 0.532127 0.000000 Zn\n0.310099 0.467873 0.000000 Zn\n0.209106 0.709106 0.000000 Zn\n0.790894 0.290894 0.000000 Zn\n0.709106 0.790894 0.000000 Zn\n0.290894 0.209106 0.000000 Zn\n0.668831 0.168831 0.000000 Zn\n0.331169 0.831169 0.000000 Zn\n0.168831 0.331169 0.000000 Zn\n0.831169 0.668831 0.000000 Zn\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.000000 Ge\n0.334242 0.038962 0.000000 B\n0.665758 0.961038 0.000000 B\n0.038962 0.665758 0.000000 B\n0.834242 0.461038 0.000000 B\n0.961038 0.334242 0.000000 B\n0.165758 0.538962 0.000000 B\n0.538962 0.834242 0.000000 B\n0.461038 0.165758 0.000000 B\n0.167442 0.124479 0.000000 B\n0.832558 0.875521 0.000000 B\n0.124479 0.832558 0.000000 B\n0.667442 0.375521 0.000000 B\n0.875521 0.167442 0.000000 B\n0.332558 0.624479 0.000000 B\n0.624479 0.667442 0.000000 B\n0.375521 0.332558 0.000000 B\n0.254627 0.087328 0.500000 Rh\n0.745373 0.912672 0.500000 Rh\n0.087328 0.745373 0.500000 Rh\n0.754627 0.412672 0.500000 Rh\n0.912672 0.254627 0.500000 Rh\n0.245373 0.587328 0.500000 Rh\n0.587328 0.754627 0.500000 Rh\n0.412672 0.245373 0.500000 Rh\n0.047675 0.325707 0.500000 Rh\n0.952325 0.674293 0.500000 Rh\n0.325707 0.952325 0.500000 Rh\n0.547675 0.174293 0.500000 Rh\n0.674293 0.047675 0.500000 Rh\n0.452325 0.825707 0.500000 Rh\n0.825707 0.547675 0.500000 Rh\n0.174293 0.452325 0.500000 Rh\n0.159800 0.210601 0.500000 Rh\n0.840200 0.789399 0.500000 Rh\n0.210601 0.840200 0.500000 Rh\n0.659800 0.289399 0.500000 Rh\n0.789399 0.159800 0.500000 Rh\n0.340200 0.710601 0.500000 Rh\n0.710601 0.659800 0.500000 Rh\n0.289399 0.340200 0.500000 Rh\n0.097371 0.066508 0.500000 Rh\n0.902629 0.933492 0.500000 Rh\n0.066508 0.902629 0.500000 Rh\n0.597371 0.433492 0.500000 Rh\n0.933492 0.097371 0.500000 Rh\n0.402629 0.566508 0.500000 Rh\n0.566508 0.597371 0.500000 Rh\n0.433492 0.402629 0.500000 Rh\n0.082369 0.582369 0.500000 Rh\n0.917631 0.417631 0.500000 Rh\n0.582369 0.917631 0.500000 Rh\n0.417631 0.082369 0.500000 Rh\n",
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"density": 9.598453161157261,
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"volume": 922.2725863992812,
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"formula_full": "Zn20 Ge2 B16 Rh36",
"formula_reduced": "Zn10Ge(B4Rh9)2",
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"updated_at": "2021-11-28T01:36:07.300000Z",
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{
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"created_at": "2022-09-04T14:43:20.492900Z",
"structure_string": "V2 Sb4\n1.0\n-3.303106 3.303106 2.803504\n3.303106 -3.303106 2.803504\n3.303106 3.303106 -2.803504\nV Sb\n2 4\ndirect\n0.750000 0.750000 0.000000 V\n0.250000 0.250000 0.000000 V\n0.343091 0.156909 0.500000 Sb\n0.843091 0.343091 0.186183 Sb\n0.656909 0.843091 0.500000 Sb\n0.156909 0.656909 0.813817 Sb\n",
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{
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"structure_string": "Y6 Re2 B14\n1.0\n1.837126 -7.542380 0.000000\n1.837126 7.542380 0.000000\n0.000000 0.000000 10.080888\nY Re B\n6 2 14\ndirect\n0.165660 0.834340 0.942774 Y\n0.027498 0.972502 0.250000 Y\n0.834340 0.165660 0.057226 Y\n0.972502 0.027498 0.750000 Y\n0.165660 0.834340 0.557226 Y\n0.834340 0.165660 0.442774 Y\n0.776736 0.223264 0.750000 Re\n0.223264 0.776736 0.250000 Re\n0.449992 0.550008 0.945858 B\n0.446798 0.553202 0.115738 B\n0.620672 0.379328 0.750000 B\n0.345522 0.654478 0.660495 B\n0.379328 0.620672 0.250000 B\n0.553202 0.446798 0.615738 B\n0.654478 0.345522 0.160495 B\n0.550008 0.449992 0.445858 B\n0.654478 0.345522 0.339505 B\n0.550008 0.449992 0.054142 B\n0.553202 0.446798 0.884262 B\n0.345522 0.654478 0.839505 B\n0.446798 0.553202 0.384262 B\n0.449992 0.550008 0.554142 B\n",
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{
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"structure_string": "K8 Mg8 S12 O48\n1.0\n10.072140 0.000000 0.000000\n0.000000 10.072140 0.000000\n0.000000 0.000000 10.072140\nK Mg S O\n8 8 12 48\ndirect\n0.200607 0.299393 0.700607 K\n0.299393 0.700607 0.200607 K\n0.700607 0.200607 0.299393 K\n0.799393 0.799393 0.799393 K\n0.433117 0.066883 0.933117 K\n0.066883 0.933117 0.433117 K\n0.933117 0.433117 0.066883 K\n0.566883 0.566883 0.566883 K\n0.150971 0.650971 0.849029 Mg\n0.085576 0.085576 0.085576 Mg\n0.414424 0.914424 0.585576 Mg\n0.585576 0.414424 0.914424 Mg\n0.914424 0.585576 0.414424 Mg\n0.349029 0.349029 0.349029 Mg\n0.849029 0.150971 0.650971 Mg\n0.650971 0.849029 0.150971 Mg\n0.466241 0.731000 0.873958 S\n0.269000 0.373958 0.033759 S\n0.373958 0.033759 0.269000 S\n0.033759 0.269000 0.373958 S\n0.873958 0.466241 0.731000 S\n0.731000 0.873958 0.466241 S\n0.231000 0.626042 0.533759 S\n0.126042 0.966241 0.769000 S\n0.626042 0.533759 0.231000 S\n0.769000 0.126042 0.966241 S\n0.966241 0.769000 0.126042 S\n0.533759 0.231000 0.626042 S\n0.503752 0.591383 0.848362 O\n0.003752 0.908617 0.151638 O\n0.496248 0.091383 0.651638 O\n0.908617 0.151638 0.003752 O\n0.651638 0.496248 0.091383 O\n0.151638 0.003752 0.908617 O\n0.591383 0.848362 0.503752 O\n0.848362 0.503752 0.591383 O\n0.091383 0.651638 0.496248 O\n0.408617 0.348362 0.996248 O\n0.348362 0.996248 0.408617 O\n0.996248 0.408617 0.348362 O\n0.475278 0.945906 0.207685 O\n0.975278 0.554094 0.792315 O\n0.524722 0.445906 0.292315 O\n0.554094 0.792315 0.975278 O\n0.292315 0.524722 0.445906 O\n0.792315 0.975278 0.554094 O\n0.579244 0.673957 0.239439 O\n0.945906 0.207685 0.475278 O\n0.445906 0.292315 0.524722 O\n0.054094 0.707685 0.024722 O\n0.707685 0.024722 0.054094 O\n0.024722 0.054094 0.707685 O\n0.326043 0.739439 0.920756 O\n0.826043 0.760561 0.079244 O\n0.673957 0.239439 0.579244 O\n0.760561 0.079244 0.826043 O\n0.015681 0.192551 0.248953 O\n0.248953 0.015681 0.192551 O\n0.192551 0.248953 0.015681 O\n0.307449 0.751047 0.515681 O\n0.748953 0.484319 0.807449 O\n0.807449 0.748953 0.484319 O\n0.251047 0.984319 0.692551 O\n0.751047 0.515681 0.307449 O\n0.692551 0.251047 0.984319 O\n0.515681 0.307449 0.751047 O\n0.984319 0.692551 0.251047 O\n0.484319 0.807449 0.748953 O\n0.173957 0.260561 0.420756 O\n0.420756 0.173957 0.260561 O\n0.260561 0.420756 0.173957 O\n0.239439 0.579244 0.673957 O\n0.920756 0.326043 0.739439 O\n0.739439 0.920756 0.326043 O\n0.079244 0.826043 0.760561 O\n0.207685 0.475278 0.945906 O\n",
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{
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"structure_string": "Na2 Li1 Tl1 Br6\n1.0\n0.000000 5.453317 5.453317\n5.453317 0.000000 5.453317\n5.453317 5.453317 0.000000\nNa Li Tl Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Tl\n0.746836 0.253164 0.253164 Br\n0.253164 0.253164 0.746836 Br\n0.253164 0.746836 0.746836 Br\n0.253164 0.746836 0.253164 Br\n0.746836 0.253164 0.746836 Br\n0.746836 0.746836 0.253164 Br\n",
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{
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