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"results": [
{
"id": "mp-1204271",
"created_at": "2022-09-04T14:46:19.544207Z",
"structure_string": "Hf28 Tl72 Pb8 S100\n1.0\n17.714951 0.000000 -0.000000\n0.000000 17.714951 0.000000\n-0.000000 -0.000000 17.714951\nHf Tl Pb S\n28 72 8 100\ndirect\n0.149975 0.512075 0.159344 Hf\n0.850025 0.012075 0.340656 Hf\n0.350025 0.487925 0.659344 Hf\n0.649975 0.987925 0.840656 Hf\n0.159344 0.149975 0.512075 Hf\n0.340656 0.850025 0.012075 Hf\n0.659344 0.350025 0.487925 Hf\n0.840656 0.649975 0.987925 Hf\n0.512075 0.159344 0.149975 Hf\n0.012075 0.340656 0.850025 Hf\n0.487925 0.659344 0.350025 Hf\n0.987925 0.840656 0.649975 Hf\n0.850025 0.487925 0.840656 Hf\n0.149975 0.987925 0.659344 Hf\n0.649975 0.512075 0.340656 Hf\n0.350025 0.012075 0.159344 Hf\n0.840656 0.850025 0.487925 Hf\n0.659344 0.149975 0.987925 Hf\n0.340656 0.649975 0.512075 Hf\n0.159344 0.350025 0.012075 Hf\n0.487925 0.840656 0.850025 Hf\n0.987925 0.659344 0.149975 Hf\n0.512075 0.340656 0.649975 Hf\n0.012075 0.159344 0.350025 Hf\n-0.000000 0.000000 0.500000 Hf\n-0.000000 0.500000 -0.000000 Hf\n0.500000 0.000000 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0.332554 Tl\n0.676327 0.655480 0.832554 Tl\n0.667446 0.323673 0.155480 Tl\n0.167446 0.176327 0.844520 Tl\n0.332554 0.823673 0.344520 Tl\n0.832554 0.676327 0.655480 Tl\n0.844520 0.332554 0.676327 Tl\n0.155480 0.832554 0.823673 Tl\n0.655480 0.667446 0.176327 Tl\n0.344520 0.167446 0.323673 Tl\n0.676327 0.844520 0.332554 Tl\n0.823673 0.155480 0.832554 Tl\n0.176327 0.655480 0.667446 Tl\n0.323673 0.344520 0.167446 Tl\n0.332554 0.676327 0.844520 Tl\n0.832554 0.823673 0.155480 Tl\n0.667446 0.176327 0.655480 Tl\n0.167446 0.323673 0.344520 Tl\n0.013721 0.666172 0.480791 Tl\n0.986279 0.166172 0.019209 Tl\n0.486279 0.333828 0.980791 Tl\n0.513721 0.833828 0.519209 Tl\n0.480791 0.013721 0.666172 Tl\n0.019209 0.986279 0.166172 Tl\n0.980791 0.486279 0.333828 Tl\n0.519209 0.513721 0.833828 Tl\n0.666172 0.480791 0.013721 Tl\n0.166172 0.019209 0.986279 Tl\n0.333828 0.980791 0.486279 Tl\n0.833828 0.519209 0.513721 Tl\n0.986279 0.333828 0.519209 Tl\n0.013721 0.833828 0.980791 Tl\n0.513721 0.666172 0.019209 Tl\n0.486279 0.166172 0.480791 Tl\n0.519209 0.986279 0.333828 Tl\n0.980791 0.013721 0.833828 Tl\n0.019209 0.513721 0.666172 Tl\n0.480791 0.486279 0.166172 Tl\n0.333828 0.519209 0.986279 Tl\n0.833828 0.980791 0.013721 Tl\n0.666172 0.019209 0.513721 Tl\n0.166172 0.480791 0.486279 Tl\n0.323364 0.676636 0.176636 Pb\n0.676636 0.176636 0.323364 Pb\n0.176636 0.323364 0.676636 Pb\n0.823364 0.823364 0.823364 Pb\n0.676636 0.323364 0.823364 Pb\n0.323364 0.823364 0.676636 Pb\n0.823364 0.676636 0.323364 Pb\n0.176636 0.176636 0.176636 Pb\n0.145966 0.509118 0.298400 S\n0.854034 0.009118 0.201600 S\n0.354034 0.490882 0.798400 S\n0.645966 0.990882 0.701600 S\n0.298400 0.145966 0.509118 S\n0.201600 0.854034 0.009118 S\n0.798400 0.354034 0.490882 S\n0.701600 0.645966 0.990882 S\n0.509118 0.298400 0.145966 S\n0.009118 0.201600 0.854034 S\n0.490882 0.798400 0.354034 S\n0.990882 0.701600 0.645966 S\n0.854034 0.490882 0.701600 S\n0.145966 0.990882 0.798400 S\n0.645966 0.509118 0.201600 S\n0.354034 0.009118 0.298400 S\n0.701600 0.854034 0.490882 S\n0.798400 0.145966 0.990882 S\n0.201600 0.645966 0.509118 S\n0.298400 0.354034 0.009118 S\n0.490882 0.701600 0.854034 S\n0.990882 0.798400 0.145966 S\n0.509118 0.201600 0.645966 S\n0.009118 0.298400 0.354034 S\n0.001756 0.509514 0.144253 S\n0.998244 0.009514 0.355747 S\n0.498244 0.490486 0.644253 S\n0.501756 0.990486 0.855747 S\n0.144253 0.001756 0.509514 S\n0.355747 0.998244 0.009514 S\n0.644253 0.498244 0.490486 S\n0.855747 0.501756 0.990486 S\n0.509514 0.144253 0.001756 S\n0.009514 0.355747 0.998244 S\n0.490486 0.644253 0.498244 S\n0.990486 0.855747 0.501756 S\n0.998244 0.490486 0.855747 S\n0.001756 0.990486 0.644253 S\n0.501756 0.509514 0.355747 S\n0.498244 0.009514 0.144253 S\n0.855747 0.998244 0.490486 S\n0.644253 0.001756 0.990486 S\n0.355747 0.501756 0.509514 S\n0.144253 0.498244 0.009514 S\n0.490486 0.855747 0.998244 S\n0.990486 0.644253 0.001756 S\n0.509514 0.355747 0.501756 S\n0.009514 0.144253 0.498244 S\n0.291266 0.525206 0.155963 S\n0.708734 0.025206 0.344037 S\n0.208734 0.474794 0.655963 S\n0.791266 0.974794 0.844037 S\n0.155963 0.291266 0.525206 S\n0.344037 0.708734 0.025206 S\n0.655963 0.208734 0.474794 S\n0.844037 0.791266 0.974794 S\n0.525206 0.155963 0.291266 S\n0.025206 0.344037 0.708734 S\n0.474794 0.655963 0.208734 S\n0.974794 0.844037 0.791266 S\n0.708734 0.474794 0.844037 S\n0.291266 0.974794 0.655963 S\n0.791266 0.525206 0.344037 S\n0.208734 0.025206 0.155963 S\n0.844037 0.708734 0.474794 S\n0.655963 0.291266 0.974794 S\n0.344037 0.791266 0.525206 S\n0.155963 0.208734 0.025206 S\n0.474794 0.844037 0.708734 S\n0.974794 0.655963 0.291266 S\n0.525206 0.344037 0.791266 S\n0.025206 0.155963 0.208734 S\n0.344794 0.648630 0.365088 S\n0.655206 0.148630 0.134912 S\n0.155206 0.351370 0.865088 S\n0.844794 0.851370 0.634912 S\n0.365088 0.344794 0.648630 S\n0.134912 0.655206 0.148630 S\n0.865088 0.155206 0.351370 S\n0.634912 0.844794 0.851370 S\n0.648630 0.365088 0.344794 S\n0.148630 0.134912 0.655206 S\n0.351370 0.865088 0.155206 S\n0.851370 0.634912 0.844794 S\n0.655206 0.351370 0.634912 S\n0.344794 0.851370 0.865088 S\n0.844794 0.648630 0.134912 S\n0.155206 0.148630 0.365088 S\n0.634912 0.655206 0.351370 S\n0.865088 0.344794 0.851370 S\n0.134912 0.844794 0.648630 S\n0.365088 0.155206 0.148630 S\n0.351370 0.634912 0.655206 S\n0.851370 0.865088 0.344794 S\n0.648630 0.134912 0.844794 S\n0.148630 0.365088 0.155206 S\n0.500000 0.500000 -0.000000 S\n0.500000 -0.000000 0.500000 S\n-0.000000 0.500000 0.500000 S\n-0.000000 0.000000 -0.000000 S\n",
"nsites": 208,
"nelements": 4,
"elements": [
"Hf",
"Tl",
"Pb",
"S"
],
"chemical_system": "Hf-Pb-S-Tl",
"density": 7.3411733606896785,
"density_atomic": 0.037414803506768686,
"volume": 5559.296869282525,
"volume_molar": 16.095609746849366,
"formula_full": "Hf28 Tl72 Pb8 S100",
"formula_reduced": "Hf7Tl18Pb2S25",
"formula_anonymous": "A2B7C18D25",
"energy": -1127.67504012,
"energy_per_atom": -5.421514615961538,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1077.37504012,
"band_gap": 1.4819,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003985,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:25.123000Z",
"spacegroup": 205
},
{
"id": "mp-1196799",
"created_at": "2022-09-04T14:41:36.205129Z",
"structure_string": "H96 Rh8 N32 Cl12 O60\n1.0\n12.432742 0.000000 0.000000\n0.000000 10.896708 0.000000\n-7.987015 0.000000 15.566406\nH Rh N Cl O\n96 8 32 12 60\ndirect\n0.049937 0.650049 0.570059 H\n0.049937 0.849951 0.070059 H\n0.950063 0.349951 0.429941 H\n0.950063 0.150049 0.929941 H\n0.098401 0.772358 0.633829 H\n0.098401 0.727642 0.133829 H\n0.901599 0.227642 0.366171 H\n0.901599 0.272358 0.866171 H\n0.952968 0.740495 0.581130 H\n0.952968 0.759505 0.081130 H\n0.047032 0.259505 0.418870 H\n0.047032 0.240495 0.918870 H\n0.026256 0.438774 0.596651 H\n0.026256 0.061226 0.096651 H\n0.973744 0.561226 0.403349 H\n0.973744 0.938774 0.903349 H\n0.998351 0.366403 0.669691 H\n0.998351 0.133597 0.169691 H\n0.001649 0.633597 0.330309 H\n0.001649 0.866403 0.830309 H\n0.139044 0.389022 0.686226 H\n0.139044 0.110978 0.186226 H\n0.860956 0.610978 0.313774 H\n0.860956 0.889022 0.813774 H\n0.823218 0.615411 0.624795 H\n0.823218 0.884589 0.124795 H\n0.176782 0.384589 0.375205 H\n0.176782 0.115411 0.875205 H\n0.857197 0.644068 0.725863 H\n0.857197 0.855932 0.225863 H\n0.142803 0.355932 0.274137 H\n0.142803 0.144068 0.774137 H\n0.853458 0.500210 0.693251 H\n0.853458 0.999790 0.193251 H\n0.146542 0.499790 0.306749 H\n0.146542 0.000210 0.806749 H\n0.177418 0.470959 0.869545 H\n0.177418 0.029041 0.369545 H\n0.822582 0.529041 0.130455 H\n0.822582 0.970959 0.630455 H\n0.042901 0.412449 0.808861 H\n0.042901 0.087551 0.308861 H\n0.957099 0.587551 0.191139 H\n0.957099 0.912449 0.691139 H\n0.053318 0.535614 0.867570 H\n0.053318 0.964386 0.367570 H\n0.946682 0.464386 0.132430 H\n0.946682 0.035614 0.632430 H\n0.369936 0.748737 0.982764 H\n0.369936 0.751263 0.482764 H\n0.630064 0.251263 0.017236 H\n0.630064 0.248737 0.517236 H\n0.343437 0.608082 0.942792 H\n0.343437 0.891918 0.442792 H\n0.656563 0.391918 0.057208 H\n0.656563 0.108082 0.557208 H\n0.228437 0.707135 0.917281 H\n0.228437 0.792865 0.417281 H\n0.771563 0.292865 0.082719 H\n0.771563 0.207135 0.582719 H\n0.533270 0.635033 0.927859 H\n0.533270 0.864967 0.427859 H\n0.466730 0.364967 0.072141 H\n0.466730 0.135033 0.572141 H\n0.566166 0.726472 0.867363 H\n0.566166 0.773528 0.367363 H\n0.433834 0.273528 0.132637 H\n0.433834 0.226472 0.632637 H\n0.500422 0.593654 0.829170 H\n0.500422 0.906346 0.329170 H\n0.499578 0.406346 0.170830 H\n0.499578 0.093654 0.670830 H\n0.506202 0.917749 0.910440 H\n0.506202 0.582251 0.410440 H\n0.493798 0.082251 0.089560 H\n0.493798 0.417749 0.589560 H\n0.384863 0.945382 0.923074 H\n0.384863 0.554618 0.423074 H\n0.615137 0.054618 0.076926 H\n0.615137 0.445382 0.576926 H\n0.389820 0.989609 0.835242 H\n0.389820 0.510391 0.335242 H\n0.610180 0.010391 0.164758 H\n0.610180 0.489609 0.664758 H\n0.437822 0.791998 0.720215 H\n0.437822 0.708002 0.220215 H\n0.562178 0.208002 0.279785 H\n0.562178 0.291998 0.779785 H\n0.330780 0.894666 0.694965 H\n0.330780 0.605334 0.194965 H\n0.669220 0.105334 0.305035 H\n0.669220 0.394666 0.805035 H\n0.299114 0.752866 0.656836 H\n0.299114 0.747134 0.156836 H\n0.700886 0.247134 0.343164 H\n0.700886 0.252866 0.843164 H\n0.066354 0.599661 0.723861 Rh\n0.066354 0.900339 0.223861 Rh\n0.933646 0.400339 0.276139 Rh\n0.933646 0.099661 0.776139 Rh\n0.328155 0.750785 0.818147 Rh\n0.328155 0.749215 0.318147 Rh\n0.671845 0.249215 0.181853 Rh\n0.671845 0.250785 0.681853 Rh\n0.036983 0.701551 0.614160 N\n0.036983 0.798449 0.114160 N\n0.963017 0.298449 0.385840 N\n0.963017 0.201551 0.885840 N\n0.054967 0.429088 0.661218 N\n0.054967 0.070912 0.161218 N\n0.945033 0.570912 0.338782 N\n0.945033 0.929088 0.838782 N\n0.878247 0.589252 0.686888 N\n0.878247 0.910748 0.186888 N\n0.121753 0.410748 0.313112 N\n0.121753 0.089252 0.813112 N\n0.088694 0.493847 0.831261 N\n0.088694 0.006153 0.331261 N\n0.911306 0.506153 0.168739 N\n0.911306 0.993847 0.668739 N\n0.316899 0.698110 0.929022 N\n0.316899 0.801890 0.429022 N\n0.683101 0.301890 0.070978 N\n0.683101 0.198110 0.570978 N\n0.501177 0.667081 0.865960 N\n0.501177 0.832919 0.365960 N\n0.498823 0.332919 0.134040 N\n0.498823 0.167081 0.634040 N\n0.413361 0.919099 0.878779 N\n0.413361 0.580901 0.378779 N\n0.586639 0.080901 0.121221 N\n0.586639 0.419099 0.621221 N\n0.350787 0.803588 0.710668 N\n0.350787 0.696412 0.210668 N\n0.649213 0.196412 0.289332 N\n0.649213 0.303588 0.789332 N\n0.265080 0.510338 0.554629 Cl\n0.265080 0.989662 0.054629 Cl\n0.734920 0.489662 0.445371 Cl\n0.734920 0.010338 0.945371 Cl\n0.818276 0.581609 0.896895 Cl\n0.818276 0.918391 0.396895 Cl\n0.181724 0.418391 0.103105 Cl\n0.181724 0.081609 0.603105 Cl\n0.391104 0.328747 0.878545 Cl\n0.391104 0.171253 0.378545 Cl\n0.608896 0.671253 0.121455 Cl\n0.608896 0.828747 0.621455 Cl\n0.080650 0.760617 0.785476 O\n0.080650 0.739383 0.285476 O\n0.919350 0.239383 0.214524 O\n0.919350 0.260617 0.714524 O\n0.167030 0.837077 0.772573 O\n0.167030 0.662923 0.272573 O\n0.832970 0.162923 0.227427 O\n0.832970 0.337077 0.727427 O\n0.239815 0.605701 0.756967 O\n0.239815 0.894299 0.256967 O\n0.760185 0.394299 0.243033 O\n0.760185 0.105701 0.743033 O\n0.143539 0.460743 0.525887 O\n0.143539 0.039257 0.025887 O\n0.856461 0.539257 0.474113 O\n0.856461 0.960743 0.974113 O\n0.313252 0.465536 0.496628 O\n0.313252 0.034464 0.996628 O\n0.686748 0.534464 0.503372 O\n0.686748 0.965536 0.003372 O\n0.344610 0.470999 0.641284 O\n0.344610 0.029001 0.141284 O\n0.655390 0.529001 0.358716 O\n0.655390 0.970999 0.858716 O\n0.257013 0.644487 0.549378 O\n0.257013 0.855513 0.049378 O\n0.742987 0.355513 0.450622 O\n0.742987 0.144487 0.950622 O\n0.903684 0.645091 0.874447 O\n0.903684 0.854909 0.374447 O\n0.096316 0.354909 0.125553 O\n0.096316 0.145091 0.625553 O\n0.700349 0.572411 0.819475 O\n0.700349 0.927589 0.319475 O\n0.299651 0.427589 0.180525 O\n0.299651 0.072411 0.680525 O\n0.802983 0.650500 0.962741 O\n0.802983 0.849500 0.462741 O\n0.197017 0.349500 0.037259 O\n0.197017 0.150500 0.537259 O\n0.861807 0.458102 0.927666 O\n0.861807 0.041898 0.427666 O\n0.138193 0.541898 0.072334 O\n0.138193 0.958102 0.572334 O\n0.445658 0.212549 0.919665 O\n0.445658 0.287451 0.419665 O\n0.554342 0.787451 0.080335 O\n0.554342 0.712549 0.580335 O\n0.462331 0.382973 0.840503 O\n0.462331 0.117027 0.340503 O\n0.537669 0.617027 0.159497 O\n0.537669 0.882973 0.659497 O\n0.732525 0.691746 0.186581 O\n0.732525 0.808254 0.686581 O\n0.267475 0.308254 0.813419 O\n0.267475 0.191746 0.313419 O\n0.610433 0.586969 0.055825 O\n0.610433 0.913031 0.555825 O\n0.389567 0.413031 0.944175 O\n0.389567 0.086969 0.444175 O\n",
"nsites": 208,
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"elements": [
"H",
"Rh",
"N",
"Cl",
"O"
],
"chemical_system": "Cl-H-N-O-Rh",
"density": 2.1682163632738534,
"density_atomic": 0.09863084341185122,
"volume": 2108.8737843542285,
"volume_molar": 6.105737872334158,
"formula_full": "H96 Rh8 N32 Cl12 O60",
"formula_reduced": "H24Rh2N8(ClO5)3",
"formula_anonymous": "A2B3C8D15E24",
"energy": -1064.48276046,
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0.302274 B\n0.079758 0.240231 0.697726 B\n0.920242 0.617968 0.160473 B\n0.920242 0.160473 0.617968 B\n0.079758 0.697726 0.240231 B\n0.457495 0.839527 0.759769 B\n0.542505 0.302274 0.382032 B\n0.518171 0.837641 0.966566 B\n0.481829 0.448395 0.319469 B\n0.128925 0.162359 0.680531 B\n0.871075 0.551605 0.033434 B\n0.871075 0.033434 0.551605 B\n0.128925 0.680531 0.162359 B\n0.518171 0.966566 0.837641 B\n0.481829 0.319469 0.448395 B\n0.555796 0.965368 0.965368 B\n0.444204 0.409572 0.409572 B\n-0.000000 0.034632 0.590428 B\n-0.000000 0.590428 0.034632 B\n0.425058 0.852949 0.852949 B\n0.574942 0.427891 0.427891 B\n-0.000000 0.147051 0.572109 B\n0.000000 0.572109 0.147051 B\n0.544652 0.269191 0.917630 H\n0.455348 0.372979 0.724540 H\n0.648439 0.730809 0.275460 H\n0.351561 0.627021 0.082370 H\n0.351561 0.082370 0.627021 H\n0.648439 0.275460 0.730809 H\n0.544652 0.917630 0.269191 H\n0.455348 0.724540 0.372979 H\n0.435656 0.160196 0.025700 H\n0.564344 0.590044 0.724540 H\n0.865504 0.839804 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H\n0.484697 0.800178 0.020106 H\n0.515303 0.535408 0.315481 H\n0.219928 0.199822 0.684519 H\n0.780072 0.464592 0.979894 H\n0.780072 0.979894 0.464592 H\n0.219928 0.684519 0.199822 H\n0.484697 0.020106 0.800178 H\n0.515303 0.315481 0.535408 H\n0.548336 0.017543 0.017543 H\n0.451664 0.469207 0.469207 H\n-0.000000 0.982457 0.530793 H\n0.000000 0.530793 0.982457 H\n0.326601 0.826325 0.826325 H\n0.673399 0.499724 0.499724 H\n0.000000 0.173675 0.500276 H\n0.000000 0.500276 0.173675 H\n0.359024 0.162971 0.895939 H\n0.640976 0.536915 0.803947 H\n0.732968 0.837029 0.196053 H\n0.267032 0.463085 0.104061 H\n0.267032 0.104061 0.463085 H\n0.732968 0.196053 0.837029 H\n0.359024 0.895939 0.162971 H\n0.640976 0.803947 0.536915 H\n0.438733 0.101555 0.925186 H\n0.561267 0.486453 0.662822 H\n0.823631 0.898445 0.337178 H\n0.176369 0.513547 0.074814 H\n0.176369 0.074814 0.513547 H\n0.823631 0.337178 0.898445 H\n0.438733 0.925186 0.101555 H\n0.561267 0.662822 0.486453 H\n0.467469 0.348555 0.966305 H\n0.532531 0.498836 0.881085 H\n0.617751 0.651445 0.118915 H\n0.382249 0.501164 0.033695 H\n0.382249 0.033695 0.501164 H\n0.617751 0.118915 0.651445 H\n0.467469 0.966305 0.348555 H\n0.532531 0.881085 0.498836 H\n0.551476 0.353567 0.097893 H\n0.448524 0.546417 0.802092 H\n0.744326 0.646433 0.197908 H\n0.255674 0.453583 0.902107 H\n0.255674 0.902107 0.453583 H\n0.744326 0.197908 0.646433 H\n0.551476 0.097893 0.353567 H\n0.448524 0.802092 0.546417 H\n0.630083 0.429108 0.043678 H\n0.369917 0.413595 0.799025 H\n0.614569 0.570892 0.200975 H\n0.385431 0.586405 0.956322 H\n0.385431 0.956322 0.586405 H\n0.614569 0.200975 0.570892 H\n0.630083 0.043678 0.429108 H\n0.369917 0.799025 0.413595 H\n0.653257 0.206229 0.034418 H\n0.346743 0.381162 0.552972 H\n0.828189 0.793771 0.447028 H\n0.171811 0.618838 0.965582 H\n0.171811 0.965582 0.618838 H\n0.828189 0.447028 0.793771 H\n0.653257 0.034418 0.206229 H\n0.346743 0.552972 0.381162 H\n0.735422 0.348048 0.081632 H\n0.264578 0.346210 0.612626 H\n0.733584 0.651952 0.387374 H\n0.266416 0.653790 0.918368 H\n0.266416 0.918368 0.653790 H\n0.733584 0.387374 0.651952 H\n0.735422 0.081632 0.348048 H\n0.264578 0.612626 0.346210 H\n0.659442 0.272612 0.137011 H\n0.340558 0.477569 0.613170 H\n0.864399 0.727388 0.386830 H\n0.135601 0.522431 0.862989 H\n0.135601 0.862989 0.522431 H\n0.864399 0.386830 0.727388 H\n0.659442 0.137011 0.272612 H\n0.340558 0.613170 0.477569 H\n0.436372 0.164725 0.955744 C\n0.563628 0.519373 0.728354 C\n0.791019 0.835275 0.271646 C\n0.208981 0.480627 0.044256 C\n0.208981 0.044256 0.480627 C\n0.791019 0.271646 0.835275 C\n0.436372 0.955744 0.164725 C\n0.563628 0.728354 0.519373 C\n0.549323 0.356651 0.026383 C\n0.450677 0.477060 0.807328 C\n0.669731 0.643349 0.192672 C\n0.330269 0.522940 0.973617 C\n0.330269 0.973617 0.522940 C\n0.669731 0.192672 0.643349 C\n0.549323 0.026383 0.356651 C\n0.450677 0.807328 0.477060 C\n0.657384 0.273727 0.065477 C\n0.342616 0.408093 0.616342 C\n0.791750 0.726273 0.383658 C\n0.208250 0.591907 0.934523 C\n0.208250 0.934523 0.591907 C\n0.791750 0.383658 0.726273 C\n0.657384 0.065477 0.273727 C\n0.342616 0.616342 0.408093 C\n0.547302 0.266494 0.986137 N\n0.452698 0.438835 0.719192 N\n0.719642 0.733506 0.280808 N\n0.280358 0.561165 0.013863 N\n0.280358 0.013863 0.561165 N\n0.719642 0.280808 0.733506 N\n0.547302 0.986137 0.266494 N\n0.452698 0.719192 0.438835 N\n0.500000 0.250000 0.750000 Cl\n0.500000 0.750000 0.250000 Cl\n",
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"elements": [
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"B",
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],
"chemical_system": "B-C-Cl-H-Hg-N-Sn",
"density": 1.0811891857090015,
"density_atomic": 0.07713504654154345,
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"formula_full": "Sn4 Hg1 B44 H124 C24 N8 Cl2",
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"updated_at": "2021-11-28T01:35:01.503000Z",
"spacegroup": 121
},
{
"id": "mp-1201733",
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"elements": [
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"formula_full": "Nd12 H80 N16 O98",
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"updated_at": "2021-11-28T01:34:54.954000Z",
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},
{
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{
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{
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