Er15ScO24
Alexandria ALEXAlex-ID: agm017540331 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB15C24_6_spg5
Er3ScO6 Er2O3
2024-12-28 18:44:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017540331).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm017540331
data_agm017540331
_cell_length_a 9.09095
_cell_length_b 9.09095
_cell_length_c 10.51598
_cell_angle_alpha 54.81332
_cell_angle_beta 125.18668
_cell_angle_gamma 109.41447
_cell_volume 580.50903
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Er1 Er 0.96678 0.96678 0.50000 1.00000
Er2 Er 0.49687 0.00008 0.24870 1.00000
Er3 Er 0.78472 0.71884 0.78424 1.00000
Er4 Er 0.71884 0.78472 0.21576 1.00000
Er5 Er 0.75283 0.24952 0.96748 1.00000
Er6 Er 0.75030 0.24859 0.46903 1.00000
Er7 Er 0.00008 0.49687 0.75130 1.00000
Er8 Er 0.50371 0.00044 0.74979 1.00000
Er9 Er 0.00044 0.50371 0.25021 1.00000
Er10 Er 0.53271 0.53271 0.00000 1.00000
Er11 Er 0.46760 0.46760 0.50000 1.00000
Er12 Er 0.24859 0.75030 0.53097 1.00000
Er13 Er 0.24952 0.75283 0.03252 1.00000
Er14 Er 0.28001 0.21701 0.28033 1.00000
Er15 Er 0.21701 0.28001 0.71967 1.00000
Sc1 Sc 0.03387 0.03387 0.00000 1.00000
O1 O 0.76355 0.45850 0.02294 1.00000
O2 O 0.73882 0.04381 0.21719 1.00000
O3 O 0.26760 0.03283 0.98047 1.00000
O4 O 0.96780 0.72636 0.47973 1.00000
O5 O 0.77139 0.53082 0.26269 1.00000
O6 O 0.46997 0.22508 0.76456 1.00000
O7 O 0.45850 0.76355 0.97706 1.00000
O8 O 0.04381 0.73882 0.78281 1.00000
O9 O 0.01151 0.22969 0.48951 1.00000
O10 O 0.78123 0.98937 0.98957 1.00000
O11 O 0.72931 0.51163 0.70756 1.00000
O12 O 0.48804 0.27065 0.20726 1.00000
O13 O 0.22969 0.01151 0.51049 1.00000
O14 O 0.27065 0.48804 0.79274 1.00000
O15 O 0.98937 0.78123 0.01043 1.00000
O16 O 0.51163 0.72931 0.29244 1.00000
O17 O 0.54168 0.24086 0.52032 1.00000
O18 O 0.95690 0.24953 0.72754 1.00000
O19 O 0.53082 0.77139 0.73731 1.00000
O20 O 0.22508 0.46997 0.23544 1.00000
O21 O 0.03283 0.26760 0.01953 1.00000
O22 O 0.72636 0.96780 0.52027 1.00000
O23 O 0.24086 0.54168 0.47968 1.00000
O24 O 0.24953 0.95690 0.27246 1.00000
