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Pm8Mg4Rh

Alexandria ALEX

Alex-ID: agm097747684 · Space group: Amm2 (#38)

Basic Information

Formula
Pm8Mg4Rh
Alex-ID
agm097747684
Elements
3
Sites
13
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
389.42
ų
Cell a
3.6690
Å
Cell b
10.4670
Å
Cell c
11.4098
Å
α angle
62.71
°
β angle
90.04
°
γ angle
89.99
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm8Mg4Rh
Pm
8.00 · 61.5%
Mg
4.00 · 30.8%
Rh
1.00 · 7.7%

Energy & Stability

Energy above hull
0.1349
eV/atom
Formation energy
-0.0781
eV/atom
Corrected total energy
-52.7498
eV
Raw total energy
-52.7498
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
16.0323
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1756_spg8

Decomposition

PmMg Pm4MgRh Pm

Computed at

2025-06-16 16:26:01

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097747684).

Reference

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

BibTeX
@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…

Style: Ball & Stick
Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm097747684
data_agm097747684
_cell_length_a     3.66901
_cell_length_b     10.46705
_cell_length_c     11.40984
_cell_angle_alpha  62.71346
_cell_angle_beta   90.03837
_cell_angle_gamma  89.99392
_cell_volume       389.42153
_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 0.88354 0.12238 0.15893 1.00000
  Pm2 Pm 0.88385 0.71886 0.15876 1.00000
  Pm3 Pm 0.88008 0.66120 0.67722 1.00000
  Pm4 Pm 0.38669 0.18928 0.62182 1.00000
  Pm5 Pm 0.38423 0.80374 0.39265 1.00000
  Pm6 Pm 0.38618 0.35139 0.29720 1.00000
  Pm7 Pm 0.38304 0.34299 0.84323 1.00000
  Pm8 Pm 0.38310 0.81403 0.84287 1.00000
  Mg1 Mg 0.88521 0.04912 0.90166 1.00000
  Mg2 Mg 0.88645 0.49641 0.00719 1.00000
  Mg3 Mg 0.88670 0.48586 0.49556 1.00000
  Mg4 Mg 0.88696 0.01806 0.49615 1.00000
  Rh1 Rh 0.38397 0.94667 0.10675 1.00000
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