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Eu(GaH4)2

Alexandria ALEX

Alex-ID: agm091124667 · Space group: Immm (#71)

Basic Information

Formula
Eu(GaH4)2
Alex-ID
agm091124667
Elements
3
Sites
11
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
134.38
ų
Cell a
5.8112
Å
Cell b
5.8112
Å
Cell c
5.8112
Å
α angle
129.34
°
β angle
110.32
°
γ angle
91.07
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Eu(GaH4)2
Eu
1.00 · 9.1%
Ga
2.00 · 18.2%
H
8.00 · 72.7%

Energy & Stability

Energy above hull
0.1477
eV/atom
Formation energy
-0.0726
eV/atom
Corrected total energy
-43.0491
eV
Raw total energy
-43.0491
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0683
eV
DOS at Fermi level
11.8139
Total magnetisation
6.9810
μB

Additional Information

Prototype ID

AB2C8_297_spg12

Decomposition

Eu(GaH)2 H2

Computed at

2025-05-27 07:33:22

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: agm091124667).

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 agm091124667
data_agm091124667
_cell_length_a     5.81122
_cell_length_b     5.81122
_cell_length_c     5.81122
_cell_angle_alpha  129.34361
_cell_angle_beta   110.32206
_cell_angle_gamma  91.07342
_cell_volume       134.37778
_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
  Eu1 Eu 0.50000 0.50000 0.00000 1.00000
  Ga1 Ga 0.85820 0.35820 0.50000 1.00000
  Ga2 Ga 0.14180 0.64180 0.50000 1.00000
  H1 H 0.24845 0.48255 0.23260 1.00000
  H2 H 0.24995 0.01585 0.76740 1.00000
  H3 H 0.75005 0.51745 0.76590 1.00000
  H4 H 0.75155 0.98415 0.23410 1.00000
  H5 H 0.25631 0.95260 0.30345 1.00000
  H6 H 0.64915 0.95286 0.69655 1.00000
  H7 H 0.35085 0.04740 0.30371 1.00000
  H8 H 0.74369 0.04714 0.69629 1.00000
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