Basic Information
Formula
SrMg6Cd
MP-ID
mp-1016338
Elements
3
Sites
16
Density
2.7580
g/cm³
Volume
416.47
ų
Cell a
5.2469
Å
Cell b
6.6828
Å
Cell c
11.8773
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Amm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oC
Stability
No
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 |
|---|---|---|---|
| 14.92 | 5.9386 | 42.2 | (0,0,2) |
| 15.21 | 5.8242 | 4.3 | (0,1,1) |
| 16.90 | 5.2469 | 34.1 | (1,0,0) |
| 22.61 | 3.9321 | 36.8 | (1,0,2) |
| 22.81 | 3.8983 | 1.4 | (1,1,1) |
| 26.68 | 3.3414 | 11.8 | (0,2,0) |
| 30.10 | 2.9693 | 18.9 | (0,0,4) |
| 30.70 | 2.9121 | 34.5 | (0,2,2) |
| 31.31 | 2.8570 | 1.2 | (1,1,3) |
| 31.75 | 2.8184 | 14.8 | (1,2,0) |
| 34.18 | 2.6235 | 34.2 | (2,0,0) |
| 34.71 | 2.5842 | 50.7 | (1,0,4) |
| 35.25 | 2.5462 | 100.0 | (1,2,2) |
| 37.48 | 2.3997 | 9.0 | (2,0,2) |
| 40.65 | 2.2196 | 8.4 | (0,2,4) |
| 43.88 | 2.0635 | 6.1 | (2,2,0) |
| 44.31 | 2.0442 | 10.4 | (1,2,4) |
| 45.84 | 1.9795 | 2.5 | (0,0,6) |
| 46.17 | 1.9660 | 11.3 | (2,0,4) |
| 46.60 | 1.9492 | 21.1 | (2,2,2) |
| 49.19 | 1.8521 | 4.4 | (1,0,6) |
| 52.31 | 1.7490 | 1.8 | (3,0,0) |
| 53.83 | 1.7031 | 17.3 | (0,2,6) |
| 54.12 | 1.6945 | 7.1 | (2,2,4) |
Energy Properties
Formation Energy/atom
0.04602
eV/atom
Energy/atom
-1.50838
eV/atom
Energy above Hull
0.1221
eV/atom
Uncorrected Energy
-1.5084
eV/atom
Volume/atom
26.03
ų
c/a Ratio
2.2637
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0076
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000020
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mg · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.667
Family
Mg-based Alloy
Matrix Element
Mg · 0.750
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1016338
Reference Citation
The crystal structure and related material properties of SrMg6Cd were obtained from the Materials Project database (MP-ID: mp-1016338, 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
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_SrMg6Cd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24693300
_cell_length_b 6.68283500
_cell_length_c 11.87726500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrMg6Cd
_chemical_formula_sum 'Sr2 Mg12 Cd2'
_cell_volume 416.46902234
_cell_formula_units_Z 2
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 0.50000000 0.00000000 0.16873300 1.0
Sr Sr1 1 0.50000000 0.50000000 0.66873300 1.0
Mg Mg2 1 0.50000000 0.24369900 0.41892200 1.0
Mg Mg3 1 0.50000000 0.75630100 0.41892200 1.0
Mg Mg4 1 0.00000000 0.73643400 0.07933500 1.0
Mg Mg5 1 0.00000000 0.26356600 0.07933500 1.0
Mg Mg6 1 0.00000000 0.00000000 0.34188900 1.0
Mg Mg7 1 0.00000000 0.50000000 0.33225100 1.0
Mg Mg8 1 0.50000000 0.74369900 0.91892200 1.0
Mg Mg9 1 0.50000000 0.25630100 0.91892200 1.0
Mg Mg10 1 0.00000000 0.23643400 0.57933500 1.0
Mg Mg11 1 0.00000000 0.76356600 0.57933500 1.0
Mg Mg12 1 0.00000000 0.50000000 0.84188900 1.0
Mg Mg13 1 0.00000000 0.00000000 0.83225100 1.0
Cd Cd14 1 0.50000000 0.50000000 0.16061000 1.0
Cd Cd15 1 0.50000000 0.00000000 0.66061000 1.0
