Pm(B3Mo)2
Alexandria ALEXAlex-ID: agm005608148 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_321_spg71
BMo PmB4
2023-07-06 11:16:48.439313
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005608148).
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 agm005608148
data_agm005608148
_cell_length_a 3.18128
_cell_length_b 5.75958
_cell_length_c 5.75958
_cell_angle_alpha 75.02870
_cell_angle_beta 73.96809
_cell_angle_gamma 73.96808
_cell_volume 95.57072
_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
Pm1 Pm 0.00000 0.00000 0.00000 1.00000
B1 B 0.69443 0.06690 0.54423 1.00000
B2 B 0.30557 0.93310 0.45577 1.00000
B3 B 0.30557 0.45577 0.93310 1.00000
B4 B 0.50000 0.66002 0.33998 1.00000
B5 B 0.50000 0.33998 0.66002 1.00000
B6 B 0.69443 0.54423 0.06690 1.00000
Mo1 Mo 0.84467 0.65533 0.65533 1.00000
Mo2 Mo 0.15533 0.34467 0.34467 1.00000
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