EuRe2
传统材料 TRAMP-ID: mp-1101994 · Space group: P6_3/mmc (#194)
Basic Information
Formula
EuRe2
MP-ID
mp-1101994
Elements
2
Sites
12
Density
15.0784
g/cm³
Volume
230.99
ų
Cell a
5.4962
Å
Cell b
5.4962
Å
Cell c
8.8298
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 18.64 | 4.7598 | 6.8 | (1,0,-1,0) |
| 18.64 | 4.7598 | 3.4 | (1,-1,0,0) |
| 20.11 | 4.4149 | 5.8 | (0,0,0,2) |
| 21.21 | 4.1898 | 6.3 | (1,0,-1,1) |
| 32.58 | 2.7481 | 7.3 | (1,1,-2,0) |
| 32.58 | 2.7481 | 14.6 | (2,-1,-1,0) |
| 35.87 | 2.5033 | 61.4 | (1,0,-1,3) |
| 37.80 | 2.3799 | 9.3 | (2,0,-2,0) |
| 38.59 | 2.3330 | 100.0 | (2,-1,-1,2) |
| 39.20 | 2.2979 | 62.4 | (2,0,-2,1) |
| 39.20 | 2.2979 | 31.2 | (2,-2,0,1) |
| 40.88 | 2.2075 | 22.7 | (0,0,0,4) |
| 43.18 | 2.0949 | 17.6 | (2,0,-2,2) |
| 43.18 | 2.0949 | 8.8 | (2,-2,0,2) |
| 45.28 | 2.0026 | 12.4 | (1,0,-1,4) |
| 49.24 | 1.8506 | 8.1 | (2,0,-2,3) |
| 50.75 | 1.7990 | 2.3 | (3,-1,-2,0) |
| 50.75 | 1.7990 | 1.1 | (3,-2,-1,0) |
| 58.14 | 1.5866 | 2.7 | (3,0,-3,0) |
| 58.14 | 1.5866 | 1.4 | (3,-3,0,0) |
| 60.30 | 1.5350 | 23.4 | (3,-1,-2,3) |
| 62.17 | 1.4931 | 16.8 | (3,0,-3,2) |
| 62.17 | 1.4931 | 8.4 | (3,-3,0,2) |
| 63.18 | 1.4716 | 3.9 | (0,0,0,6) |
Energy Properties
Formation Energy/atom
0.20396
eV/atom
Energy/atom
-47.57674
eV/atom
Energy above Hull
0.2040
eV/atom
Uncorrected Energy
-11.5114
eV/atom
Volume/atom
19.25
ų
c/a Ratio
1.6065
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
26.9033
μB
Mag. Ordering
FM
Mag. Sites
4
Magnetization/Volume
0.116470
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Re · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.487
Family
Binary Alloy
Matrix Element
Re · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1101994
Reference Citation
The crystal structure and related material properties of EuRe2 were obtained from the Materials Project database (MP-ID: mp-1101994, database version v2026.04.13).
Literature Citation
Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0
3D Crystal Structure Rendering
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Raw CIF Data
# generated using pymatgen
data_EuRe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.49615538
_cell_length_b 5.49615538
_cell_length_c 8.82979000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999250
_symmetry_Int_Tables_number 1
_chemical_formula_structural EuRe2
_chemical_formula_sum 'Eu4 Re8'
_cell_volume 230.99311897
_cell_formula_units_Z 4
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Eu Eu0 1 0.33333300 0.66666700 0.43779000 1.0
Eu Eu1 1 0.66666700 0.33333300 0.56221000 1.0
Eu Eu2 1 0.66666700 0.33333300 0.93779000 1.0
Eu Eu3 1 0.33333300 0.66666700 0.06221000 1.0
Re Re4 1 0.00000000 0.00000000 0.50000000 1.0
Re Re5 1 0.00000000 0.00000000 0.00000000 1.0
Re Re6 1 0.82897000 0.17103000 0.25000000 1.0
Re Re7 1 0.82897000 0.65794000 0.25000000 1.0
Re Re8 1 0.34206000 0.17103000 0.25000000 1.0
Re Re9 1 0.17103000 0.82897000 0.75000000 1.0
Re Re10 1 0.17103000 0.34206000 0.75000000 1.0
Re Re11 1 0.65794000 0.82897000 0.75000000 1.0
