YMg7
传统材料 TRAMP-ID: mp-1016277 · Space group: P-6m2 (#187)
Basic Information
Formula
YMg7
MP-ID
mp-1016277
Elements
2
Sites
8
Density
2.2215
g/cm³
Volume
193.63
ų
Cell a
6.5861
Å
Cell b
6.5861
Å
Cell c
5.1544
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-6m2
Point Group
-6m2
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 |
|---|---|---|---|
| 15.54 | 5.7037 | 14.5 | (1,-1,0,0) |
| 15.54 | 5.7037 | 28.9 | (1,0,-1,0) |
| 17.20 | 5.1544 | 12.1 | (0,0,0,1) |
| 23.26 | 3.8242 | 12.5 | (1,-1,0,1) |
| 23.26 | 3.8242 | 25.0 | (1,0,-1,1) |
| 27.08 | 3.2930 | 8.1 | (2,-1,-1,0) |
| 27.08 | 3.2930 | 4.1 | (1,1,-2,0) |
| 31.37 | 2.8519 | 14.0 | (2,-2,0,0) |
| 31.37 | 2.8519 | 28.0 | (2,0,-2,0) |
| 32.26 | 2.7751 | 10.2 | (2,-1,-1,1) |
| 32.26 | 2.7750 | 5.1 | (1,1,-2,1) |
| 34.81 | 2.5772 | 36.0 | (0,0,0,2) |
| 35.99 | 2.4954 | 50.0 | (2,-2,0,1) |
| 35.99 | 2.4954 | 100.0 | (2,0,-2,1) |
| 38.32 | 2.3486 | 3.0 | (1,-1,0,2) |
| 38.32 | 2.3486 | 6.0 | (1,0,-1,2) |
| 41.91 | 2.1558 | 2.7 | (3,-2,-1,0) |
| 41.91 | 2.1558 | 2.7 | (3,-1,-2,0) |
| 41.91 | 2.1558 | 2.7 | (2,1,-3,0) |
| 44.65 | 2.0296 | 4.1 | (2,-1,-1,2) |
| 44.65 | 2.0296 | 2.0 | (1,1,-2,2) |
| 45.61 | 1.9889 | 3.4 | (3,-2,-1,1) |
| 45.61 | 1.9889 | 1.7 | (3,-1,-2,1) |
| 45.61 | 1.9889 | 1.7 | (1,-3,2,1) |
Energy Properties
Formation Energy/atom
0.02871
eV/atom
Energy/atom
-2.21159
eV/atom
Energy above Hull
0.0575
eV/atom
Uncorrected Energy
-6.1758
eV/atom
Volume/atom
24.20
ų
c/a Ratio
0.7826
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0007
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mg · 0.875
Element Family
N/A
Solute Fraction
0.125
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.869
Family
Mg-based Alloy
Matrix Element
Mg · 0.875
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1016277
Reference Citation
The crystal structure and related material properties of YMg7 were obtained from the Materials Project database (MP-ID: mp-1016277, 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_YMg7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.58606412
_cell_length_b 6.58606360
_cell_length_c 5.15444305
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00011184
_symmetry_Int_Tables_number 1
_chemical_formula_structural YMg7
_chemical_formula_sum 'Y1 Mg7'
_cell_volume 193.62603964
_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
Y Y0 1 0.16666700 0.33333300 0.25000000 1.0
Mg Mg1 1 0.17508025 0.83753962 0.25000000 1.0
Mg Mg2 1 0.66246038 0.32491975 0.25000000 1.0
Mg Mg3 1 0.66246038 0.83753862 0.25000000 1.0
Mg Mg4 1 0.33637464 0.16362536 0.75000000 1.0
Mg Mg5 1 0.33637464 0.67275027 0.75000000 1.0
Mg Mg6 1 0.82724973 0.16362536 0.75000000 1.0
Mg Mg7 1 0.83333300 0.66666700 0.75000000 1.0
