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Pm8Mg2Ga

Alexandria ALEX

Alex-ID: agm003530896 · Space group: C2/m (#12)

Basic Information

Formula
Pm8Mg2Ga
Alex-ID
agm003530896
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
342.15
ų
Cell a
5.4250
Å
Cell b
7.1613
Å
Cell c
9.5790
Å
α angle
105.84
°
β angle
106.45
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm8Mg2Ga
Pm
8.00 · 72.7%
Mg
2.00 · 18.2%
Ga
1.00 · 9.1%

Energy & Stability

Energy above hull
0.0992
eV/atom
Formation energy
-0.0554
eV/atom
Corrected total energy
-44.8331
eV
Raw total energy
-44.8331
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.9063
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

AB2C8_259_spg8

Decomposition

PmMgGa PmMg Pm

Computed at

2022-03-15 19:53:42.515071

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: agm003530896).

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 agm003530896
data_agm003530896
_cell_length_a     5.42497
_cell_length_b     7.16133
_cell_length_c     9.57901
_cell_angle_alpha  105.84379
_cell_angle_beta   106.44948
_cell_angle_gamma  90.00000
_cell_volume       342.14599
_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 0.40691 0.55355 0.81383 1.00000
  Pm2 Pm 0.65871 0.95394 0.31743 1.00000
  Pm3 Pm 0.80369 0.72101 0.60739 1.00000
  Pm4 Pm 0.98201 0.23067 0.96403 1.00000
  Pm5 Pm 0.19631 0.27899 0.39261 1.00000
  Pm6 Pm 0.34129 0.04606 0.68257 1.00000
  Pm7 Pm 0.59309 0.44645 0.18617 1.00000
  Pm8 Pm 0.01799 0.76933 0.03597 1.00000
  Mg1 Mg 0.81439 0.28901 0.62878 1.00000
  Mg2 Mg 0.18561 0.71099 0.37122 1.00000
  Ga1 Ga 0.50000 0.00000 0.00000 1.00000
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