PrMgB14
Alexandria ALEXAlex-ID: agm005754670 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
MgB7 PrB6 B
2023-07-18 13:56:15.793637
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754670).
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 agm005754670
data_agm005754670
_cell_length_a 5.94045
_cell_length_b 7.45373
_cell_length_c 7.45373
_cell_angle_alpha 68.30829
_cell_angle_beta 66.51628
_cell_angle_gamma 66.51628
_cell_volume 268.77231
_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
Pr1 Pr 0.25000 0.38808 0.11192 1.00000
Pr2 Pr 0.75000 0.61192 0.88808 1.00000
Mg1 Mg 0.50000 0.00000 0.50000 1.00000
Mg2 Mg 0.00000 0.00000 0.50000 1.00000
B1 B 0.66603 0.36329 0.30465 1.00000
B2 B 0.33397 0.63671 0.69535 1.00000
B3 B 0.16603 0.80465 0.86329 1.00000
B4 B 0.83397 0.19535 0.13671 1.00000
B5 B 0.13033 0.23988 0.49946 1.00000
B6 B 0.86967 0.76012 0.50054 1.00000
B7 B 0.63033 0.99946 0.73988 1.00000
B8 B 0.36967 0.00054 0.26012 1.00000
B9 B 0.08266 0.08571 0.74896 1.00000
B10 B 0.91734 0.91429 0.25104 1.00000
B11 B 0.58266 0.24896 0.58571 1.00000
B12 B 0.41734 0.75104 0.41429 1.00000
B13 B 0.71908 0.60051 0.28110 1.00000
B14 B 0.60069 0.39949 0.71890 1.00000
B15 B 0.21908 0.78110 0.10051 1.00000
B16 B 0.10069 0.21890 0.89949 1.00000
B17 B 0.28092 0.39949 0.71890 1.00000
B18 B 0.39931 0.60051 0.28110 1.00000
B19 B 0.78092 0.21890 0.89949 1.00000
B20 B 0.89931 0.78110 0.10051 1.00000
B21 B 0.32376 0.97164 0.87720 1.00000
B22 B 0.17260 0.02836 0.12280 1.00000
B23 B 0.82376 0.37720 0.47164 1.00000
B24 B 0.67260 0.62280 0.52836 1.00000
B25 B 0.67624 0.02836 0.12280 1.00000
B26 B 0.82740 0.97164 0.87720 1.00000
B27 B 0.17624 0.62280 0.52836 1.00000
B28 B 0.32740 0.37720 0.47164 1.00000
