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Mg\n0.267888 0.335981 0.167815 Mg\n0.664018 0.732113 0.167815 Mg\n0.068094 0.732113 0.167815 Mg\n0.267889 0.931906 0.167815 Mg\n0.664019 0.931907 0.167815 Mg\n0.068241 0.136482 0.170377 Mg\n0.068240 0.931759 0.170376 Mg\n0.863519 0.931760 0.170376 Mg\n0.399741 0.199871 0.332790 Mg\n0.800130 0.199871 0.332790 Mg\n0.800130 0.600259 0.332789 Mg\n0.600018 0.200036 0.332807 Mg\n0.799965 0.399982 0.332807 Mg\n0.600018 0.399983 0.332807 Mg\n0.799366 0.000066 0.333627 Mg\n0.200700 0.000066 0.333627 Mg\n0.200700 0.200634 0.333626 Mg\n0.999935 0.200634 0.333626 Mg\n0.799366 0.799301 0.333626 Mg\n0.999936 0.799301 0.333626 Mg\n0.400488 0.000187 0.333773 Mg\n0.599700 0.000188 0.333773 Mg\n0.999812 0.400299 0.333773 Mg\n0.400488 0.400300 0.333773 Mg\n0.599701 0.599512 0.333773 Mg\n0.999812 0.599512 0.333773 Mg\n0.400030 0.599971 0.333765 Mg\n0.199940 0.599971 0.333765 Mg\n0.400030 0.800060 0.333766 Mg\n0.200251 0.400504 0.334182 Mg\n0.599496 0.799748 0.334181 Mg\n0.200252 0.799749 0.334181 Mg\n0.000000 0.000000 0.334605 Mg\n0.267132 0.133566 0.500000 Mg\n0.866434 0.133566 0.500000 Mg\n0.066790 0.133578 0.500000 Mg\n0.467087 0.134246 0.500000 Mg\n0.667160 0.134246 0.500000 Mg\n0.467087 0.332840 0.500000 Mg\n0.865754 0.332840 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.266806 0.333660 0.500000 Mg\n0.066854 0.333660 0.500000 Mg\n0.865753 0.532912 0.500000 Mg\n0.667159 0.532912 0.500000 Mg\n0.066123 0.533062 0.500000 Mg\n0.466939 0.533062 0.500000 Mg\n0.266775 0.533549 0.500000 Mg\n0.866434 0.732867 0.500000 Mg\n0.066854 0.733194 0.500000 Mg\n0.666340 0.733194 0.500000 Mg\n0.466450 0.733224 0.500000 Mg\n0.266774 0.733225 0.500000 Mg\n0.866423 0.933211 0.500000 Mg\n0.066789 0.933211 0.500000 Mg\n0.266806 0.933146 0.500000 Mg\n0.666340 0.933146 0.500000 Mg\n0.466938 0.933877 0.500000 Mg\n0.000000 0.000000 0.665396 Mg\n0.200251 0.400504 0.665818 Mg\n0.599496 0.799748 0.665819 Mg\n0.200252 0.799749 0.665819 Mg\n0.400030 0.599971 0.666235 Mg\n0.199940 0.599971 0.666235 Mg\n0.400030 0.800060 0.666234 Mg\n0.400488 0.000187 0.666227 Mg\n0.599700 0.000188 0.666227 Mg\n0.999812 0.400299 0.666227 Mg\n0.400488 0.400300 0.666227 Mg\n0.599701 0.599512 0.666227 Mg\n0.999812 0.599512 0.666227 Mg\n0.799366 0.000066 0.666373 Mg\n0.200700 0.000066 0.666373 Mg\n0.200700 0.200634 0.666374 Mg\n0.999935 0.200634 0.666374 Mg\n0.799366 0.799301 0.666374 Mg\n0.999936 0.799301 0.666374 Mg\n0.600018 0.200036 0.667193 Mg\n0.799965 0.399982 0.667193 Mg\n0.600018 0.399983 0.667193 Mg\n0.399741 0.199871 0.667210 Mg\n0.800130 0.199871 0.667210 Mg\n0.800130 0.600259 0.667211 Mg\n0.068241 0.136482 0.829622 Mg\n0.068240 0.931759 0.829623 Mg\n0.863519 0.931760 0.829623 Mg\n0.068094 0.335981 0.832186 Mg\n0.267888 0.335981 0.832186 Mg\n0.664018 0.732113 0.832186 Mg\n0.068094 0.732113 0.832186 Mg\n0.267889 0.931906 0.832186 Mg\n0.664019 0.931907 0.832186 Mg\n0.267190 0.534379 0.832589 Mg\n0.465620 0.732809 0.832589 Mg\n0.267189 0.732809 0.832589 Mg\n0.066700 0.533350 0.832663 Mg\n0.466649 0.533350 0.832663 Mg\n0.466650 0.933301 0.832663 Mg\n0.465463 0.132895 0.833496 Mg\n0.667432 0.132895 0.833496 Mg\n0.465463 0.332568 0.833497 Mg\n0.867105 0.332568 0.833497 Mg\n0.867104 0.534536 0.833496 Mg\n0.667432 0.534536 0.833496 Mg\n0.666667 0.333333 0.833846 Mg\n0.263242 0.131621 0.835584 Mg\n0.868379 0.131622 0.835584 Mg\n0.868379 0.736758 0.835585 Mg\n","nsites":150,"nelements":2,"elements":["Pm","Mg"],"chemical_system":"Mg-Pm","density":1.8110491096132746,"density_atomic":0.04343509329805489,"volume":3453.428751049035,"volume_molar":13.864689362298858,"formula_full":"Pm1 Mg149","formula_reduced":"PmMg149","formula_anonymous":"AB149","energy":-246.87567468,"energy_per_atom":-1.6458378312,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-246.87567468,"band_gap":0.1908999999999996,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.1883916,"is_theoretical":true,"updated_at":"2021-11-28T01:34:30.546000Z","spacegroup":187},{"id":"mp-756998","created_at":"2022-09-04T14:39:33.816812Z","structure_string":"Cd4 H8 S8 O32\n1.0\n13.691414 0.000000 0.000000\n0.000000 5.446641 0.000000\n0.000000 0.364367 8.700788\nCd H S O\n4 8 8 32\ndirect\n0.046335 0.722403 0.745445 Cd\n0.453665 0.722403 0.245445 Cd\n0.546335 0.277597 0.754555 Cd\n0.953665 0.277597 0.254555 Cd\n0.745636 0.929971 0.572685 H\n0.754364 0.929971 0.072685 H\n0.276579 0.596819 0.696925 H\n0.223421 0.596819 0.196925 H\n0.776579 0.403181 0.803075 H\n0.723421 0.403181 0.303075 H\n0.245636 0.070029 0.927315 H\n0.254364 0.070029 0.427315 H\n0.406440 0.797138 0.624960 S\n0.642275 0.752665 0.944104 S\n0.093560 0.797138 0.124960 S\n0.857725 0.752665 0.444104 S\n0.142275 0.247335 0.555896 S\n0.906440 0.202862 0.875040 S\n0.357725 0.247335 0.055896 S\n0.593560 0.202862 0.375040 S\n0.653654 0.972934 0.842478 O\n0.920861 0.944381 0.839334 O\n0.846346 0.972934 0.342478 O\n0.579139 0.944381 0.339334 O\n0.138108 0.773216 0.971528 O\n0.773689 0.763260 0.568551 O\n0.361892 0.773216 0.471528 O\n0.726311 0.763260 0.068551 O\n0.951923 0.738313 0.521275 O\n0.548077 0.738313 0.021275 O\n0.329092 0.695474 0.745726 O\n0.170908 0.695474 0.245726 O\n0.496050 0.653187 0.648531 O\n0.003950 0.653187 0.148531 O\n0.664444 0.521581 0.866389 O\n0.835556 0.521581 0.366389 O\n0.164444 0.478419 0.633611 O\n0.335556 0.478419 0.133611 O\n0.996050 0.346813 0.851469 O\n0.503950 0.346813 0.351469 O\n0.829092 0.304526 0.754274 O\n0.670908 0.304526 0.254274 O\n0.451923 0.261687 0.978725 O\n0.048077 0.261687 0.478725 O\n0.273689 0.236740 0.931449 O\n0.638108 0.226784 0.528472 O\n0.226311 0.236740 0.431449 O\n0.861892 0.226784 0.028472 O\n0.420861 0.055619 0.660666 O\n0.153654 0.027066 0.657522 O\n0.079139 0.055619 0.160666 O\n0.346346 0.027066 0.157522 O\n","nsites":52,"nelements":4,"elements":["Cd","H","S","O"],"chemical_system":"Cd-H-O-S","density":3.1381790250356154,"density_atomic":0.08014338892428156,"volume":648.8370494181239,"volume_molar":7.514207772882727,"formula_full":"Cd4 H8 S8 O32","formula_reduced":"CdH2(SO4)2","formula_anonymous":"AB2C2D8","energy":-309.05410564,"energy_per_atom":-5.9433481853846155,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-287.07010564,"band_gap":4.189,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0032861,"is_theoretical":false,"updated_at":"2021-11-28T01:34:42.830000Z","spacegroup":14}]}