Basic Information
Formula
SrEu7Bi6
MP-ID
mp-3295414
Elements
3
Sites
14
Density
8.1141
g/cm³
Volume
492.23
ų
Cell a
8.6390
Å
Cell b
8.6072
Å
Cell c
8.6072
Å
α Angle
109.40
°
β Angle
109.55
°
γ Angle
109.55
°
Space Group
R3
Point Group
3
Crystal System
Trigonal
Bravais Lattice
hR
Stability
Yes
Packing Fraction
-
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 |
|---|---|---|---|
| 12.57 | 7.0440 | 1.4 | (1,0,0) |
| 12.60 | 7.0245 | 1.6 | (0,1,0) |
| 21.83 | 4.0706 | 8.7 | (2,0,-1) |
| 21.90 | 4.0593 | 2.8 | (1,0,1) |
| 21.90 | 4.0593 | 10.3 | (1,1,0) |
| 21.92 | 4.0556 | 6.6 | (0,1,1) |
| 28.35 | 3.1484 | 100.0 | (2,1,-1) |
| 28.40 | 3.1432 | 73.5 | (1,-1,2) |
| 28.40 | 3.1432 | 36.7 | (1,2,-1) |
| 33.64 | 2.6645 | 37.9 | (3,0,-1) |
| 33.70 | 2.6592 | 21.5 | (2,1,0) |
| 33.70 | 2.6592 | 10.7 | (2,0,-3) |
| 33.75 | 2.6561 | 18.7 | (1,2,0) |
| 33.75 | 2.6561 | 18.4 | (1,2,-3) |
| 33.76 | 2.6550 | 32.1 | (0,2,1) |
| 40.51 | 2.2269 | 13.9 | (3,1,-1) |
| 40.51 | 2.2269 | 7.0 | (3,1,-3) |
| 40.60 | 2.2220 | 22.2 | (1,3,-1) |
| 42.51 | 2.1265 | 6.3 | (4,-1,-2) |
| 42.65 | 2.1201 | 9.0 | (2,1,1) |
| 42.68 | 2.1185 | 15.0 | (1,2,1) |
| 44.52 | 2.0353 | 7.4 | (4,0,-2) |
| 44.65 | 2.0297 | 13.8 | (2,2,0) |
| 44.69 | 2.0278 | 6.3 | (0,2,2) |
Energy Properties
Formation Energy/atom
-1.09800
eV/atom
Energy/atom
-46.51267
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-46.5127
eV/atom
Volume/atom
35.16
ų
c/a Ratio
0.9963
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
47.1475
μB
Mag. Ordering
FM
Mag. Sites
7
Magnetization/Volume
0.095780
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Eu · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.544
Family
Eu-rich Multi-Component
Matrix Element
Eu · 0.500
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3295414
Reference Citation
The crystal structure and related material properties of SrEu7Bi6 were obtained from the Materials Project database (MP-ID: mp-3295414, 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_SrEu7Bi6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.63904277
_cell_length_b 8.60722743
_cell_length_c 8.60722686
_cell_angle_alpha 109.39621928
_cell_angle_beta 109.54611001
_cell_angle_gamma 109.54611993
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrEu7Bi6
_chemical_formula_sum 'Sr1 Eu7 Bi6'
_cell_volume 492.22994072
_cell_formula_units_Z 1
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
Sr Sr0 1 0.64488522 0.50000000 0.00000000 1.0
Eu Eu1 1 0.49948634 0.99908428 0.64415969 1.0
Eu Eu2 1 0.00040107 0.64507442 0.50091572 1.0
Eu Eu3 1 0.85532665 0.85584031 0.85492558 1.0
Eu Eu4 1 0.50001326 0.00026059 0.14385233 1.0
Eu Eu5 1 0.14419494 0.50000000 0.00000000 1.0
Eu Eu6 1 0.99975167 0.14359075 0.49973941 1.0
Eu Eu7 1 0.35616092 0.35614767 0.35640925 1.0
Bi Bi8 1 0.87732360 0.24812079 0.12641636 1.0
Bi Bi9 1 0.62476870 0.75285647 0.37910436 1.0
Bi Bi10 1 0.24566434 0.12089564 0.87375211 1.0
Bi Bi11 1 0.75090724 0.37358364 0.62170443 1.0
Bi Bi12 1 0.12920281 0.87829557 0.25187921 1.0
Bi Bi13 1 0.37191223 0.62624789 0.74714353 1.0
