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{
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"structure_string": "Cd9 I18\n1.0\n4.286947 -0.000000 -0.000000\n-2.143473 3.712605 0.000000\n0.000000 0.000000 61.908432\nCd I\n9 18\ndirect\n0.666668 0.333333 0.583336 Cd\n-0.000000 -0.000000 0.805564 Cd\n0.666668 0.333333 0.694430 Cd\n-0.000000 -0.000000 0.138889 Cd\n0.666668 0.333333 0.250019 Cd\n-0.000000 -0.000000 0.916633 Cd\n-0.000000 -0.000000 0.472210 Cd\n0.666668 0.333333 0.361074 Cd\n0.666668 0.333333 0.027772 Cd\n0.666668 0.333333 0.110896 I\n-0.000000 -0.000000 0.333086 I\n0.333334 0.666668 0.389097 I\n0.666668 0.333333 0.777567 I\n0.333334 0.666668 0.166914 I\n0.666668 0.333333 0.444218 I\n0.000000 0.000000 -0.000220 I\n0.333334 0.666668 0.944657 I\n-0.000000 -0.000000 0.666438 I\n0.333334 0.666668 0.611348 I\n0.333334 0.666668 0.055796 I\n0.333334 0.666668 0.833572 I\n0.333334 0.666668 0.278029 I\n-0.000000 -0.000000 0.222018 I\n0.333334 0.666668 0.722452 I\n-0.000000 -0.000000 0.555336 I\n0.666668 0.333333 0.888639 I\n0.333334 0.666668 0.500231 I\n",
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"structure_string": "K2 Mn1 Nb6 Cl18\n1.0\n8.135038 0.001823 5.738915\n2.975666 7.571277 5.738916\n0.002674 0.001823 9.955600\nK Mn Nb Cl\n2 1 6 18\ndirect\n0.278095 0.278095 0.278096 K\n0.721905 0.721904 0.721905 K\n0.000000 0.000000 0.000000 Mn\n0.291562 0.655819 0.410474 Nb\n0.410474 0.291562 0.655820 Nb\n0.655820 0.410474 0.291563 Nb\n0.708438 0.344180 0.589527 Nb\n0.344181 0.589526 0.708438 Nb\n0.589526 0.708438 0.344181 Nb\n0.215496 0.357437 0.929638 Cl\n0.563352 0.422906 0.850464 Cl\n0.848848 0.303745 0.021843 Cl\n0.151153 0.696255 0.978158 Cl\n0.577093 0.149536 0.436648 Cl\n0.642563 0.070362 0.784505 Cl\n0.303745 0.021842 0.848848 Cl\n0.929638 0.215495 0.357438 Cl\n0.422907 0.850464 0.563353 Cl\n0.784505 0.642563 0.070363 Cl\n0.696256 0.978158 0.151153 Cl\n0.436648 0.577093 0.149537 Cl\n0.850464 0.563352 0.422907 Cl\n0.357438 0.929638 0.215496 Cl\n0.978158 0.151152 0.696256 Cl\n0.070362 0.784504 0.642563 Cl\n0.021842 0.848847 0.303745 Cl\n0.149536 0.436648 0.577094 Cl\n",
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"structure_string": "Sr2 Er2 Al3 Si5 N11 O3\n1.0\n3.093951 -5.358879 -0.000000\n3.093951 5.358879 0.000000\n-0.000000 0.000000 10.401111\nSr Er Al Si N O\n2 2 3 5 11 3\ndirect\n0.333333 0.666667 0.131561 Sr\n0.666667 0.333333 0.648619 Sr\n0.333333 0.666667 0.643656 Er\n0.666667 0.333333 0.347268 Er\n0.161983 0.838017 0.436034 Al\n0.161983 0.323966 0.436034 Al\n0.676034 0.838017 0.436034 Al\n0.830469 0.169531 0.932938 Si\n0.830469 0.660939 0.932938 Si\n0.000000 0.000000 0.212034 Si\n0.000000 0.000000 0.706094 Si\n0.339061 0.169531 0.932938 Si\n0.491070 0.982140 0.495580 N\n0.853486 0.146514 0.775833 N\n0.017859 0.508930 0.495580 N\n0.853486 0.706973 0.775833 N\n0.700060 0.850029 0.261322 N\n0.149970 0.850029 0.261322 N\n0.293027 0.146514 0.775833 N\n0.149971 0.299940 0.261322 N\n0.000000 0.000000 0.014925 N\n0.000000 0.000000 0.531616 N\n0.491070 0.508930 0.495580 N\n0.525714 0.051429 0.981694 O\n0.948571 0.474286 0.981694 O\n0.525714 0.474286 0.981694 O\n",
"nsites": 26,
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"elements": [
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],
"chemical_system": "Al-Er-N-O-Si-Sr",
"density": 4.492909352188228,
"density_atomic": 0.07538348979034147,
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"volume_molar": 7.988673351086472,
"formula_full": "Sr2 Er2 Al3 Si5 N11 O3",
"formula_reduced": "Sr2Er2Al3Si5N11O3",
"formula_anonymous": "A2B2C3D3E5F11",
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{
"id": "jvasp-52843",
"created_at": "2022-09-04T14:37:06.058088Z",
"updated_at": "2022-09-04T14:37:06.058107Z",
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"formula_full": "K4 Cu2 H8 Cl8 O4",
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}