Basic Information
Formula
Ba2Eu3Si7
MP-ID
mp-1102914
Elements
3
Sites
12
Density
5.0208
g/cm³
Volume
306.64
ų
Cell a
9.2850
Å
Cell b
9.2851
Å
Cell c
4.1070
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-62m
Point Group
-6m2
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
Yes
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 |
|---|---|---|---|
| 11.00 | 8.0411 | 4.4 | (1,-1,0,0) |
| 11.00 | 8.0410 | 2.2 | (1,0,-1,0) |
| 19.12 | 4.6425 | 8.0 | (1,-2,1,0) |
| 19.12 | 4.6425 | 16.0 | (2,-1,-1,0) |
| 21.64 | 4.1070 | 4.3 | (0,0,0,1) |
| 22.11 | 4.0205 | 17.6 | (2,-2,0,0) |
| 22.11 | 4.0205 | 8.8 | (2,0,-2,0) |
| 24.34 | 3.6576 | 20.4 | (1,-1,0,1) |
| 24.34 | 3.6576 | 10.2 | (1,0,-1,1) |
| 29.03 | 3.0761 | 50.0 | (1,-2,1,1) |
| 29.03 | 3.0761 | 100.0 | (2,-1,-1,1) |
| 29.39 | 3.0393 | 12.3 | (2,-3,1,0) |
| 29.39 | 3.0393 | 12.3 | (1,-3,2,0) |
| 29.39 | 3.0392 | 12.3 | (3,-2,-1,0) |
| 29.39 | 3.0392 | 12.3 | (1,2,-3,0) |
| 29.39 | 3.0392 | 24.6 | (3,-1,-2,0) |
| 33.43 | 2.6804 | 34.1 | (3,-3,0,0) |
| 33.43 | 2.6803 | 17.1 | (3,0,-3,0) |
| 36.79 | 2.4431 | 13.2 | (2,-3,1,1) |
| 36.79 | 2.4431 | 13.2 | (1,-3,2,1) |
| 36.79 | 2.4431 | 13.2 | (3,-2,-1,1) |
| 36.79 | 2.4431 | 13.2 | (1,2,-3,1) |
| 36.79 | 2.4431 | 26.4 | (3,-1,-2,1) |
| 44.10 | 2.0535 | 21.8 | (0,0,0,2) |
Energy Properties
Formation Energy/atom
-0.46191
eV/atom
Energy/atom
-6.51854
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-19.7226
eV/atom
Volume/atom
25.55
ų
c/a Ratio
0.4423
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
21.2969
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.069450
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Si · 0.583
Element Family
N/A
Solute Fraction
0.417
Interstitial Fraction
0.583
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.485
Family
Interstitial Alloy
Matrix Element
Si · 0.583
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1102914
Reference Citation
The crystal structure and related material properties of Ba2Eu3Si7 were obtained from the Materials Project database (MP-ID: mp-1102914, 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_Ba2Eu3Si7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.28499815
_cell_length_b 9.28505001
_cell_length_c 4.10701268
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00019517
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ba2Eu3Si7
_chemical_formula_sum 'Ba2 Eu3 Si7'
_cell_volume 306.63511678
_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
Ba Ba0 1 0.33331208 0.66667540 -0.00000000 1.0
Ba Ba1 1 0.66668792 0.33336232 -0.00000000 1.0
Eu Eu2 1 0.00000000 0.74617075 0.50000000 1.0
Eu Eu3 1 0.25380770 0.25380655 0.50000000 1.0
Eu Eu4 1 0.74619230 -0.00000115 0.50000000 1.0
Si Si5 1 -0.00000000 0.99998342 0.00000000 1.0
Si Si6 1 -0.00000000 0.25684006 -0.00000000 1.0
Si Si7 1 0.74315635 0.74314112 -0.00000000 1.0
Si Si8 1 0.25684365 0.99998477 -0.00000000 1.0
Si Si9 1 0.00000000 0.39828362 0.50000000 1.0
Si Si10 1 0.60172883 0.60174199 0.50000000 1.0
Si Si11 1 0.39827117 0.00001316 0.50000000 1.0
