Basic Information
Formula
HfMg14Cr
MP-ID
mp-1026504
Elements
3
Sites
16
Density
2.6914
g/cm³
Volume
352.15
ų
Cell a
6.3513
Å
Cell b
6.2732
Å
Cell c
10.1643
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
119.59
°
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 |
|---|---|---|---|
| 8.70 | 10.1643 | 93.3 | (0,0,1) |
| 16.05 | 5.5228 | 25.3 | (1,0,0) |
| 16.25 | 5.4548 | 20.4 | (1,-1,0) |
| 17.45 | 5.0821 | 19.8 | (0,0,2) |
| 18.28 | 4.8527 | 35.8 | (1,0,1) |
| 18.46 | 4.8064 | 30.5 | (1,-1,1) |
| 23.79 | 3.7397 | 18.0 | (1,0,2) |
| 23.93 | 3.7184 | 17.3 | (1,-1,2) |
| 26.30 | 3.3881 | 6.1 | (0,0,3) |
| 28.10 | 3.1753 | 5.8 | (2,-1,0) |
| 28.46 | 3.1366 | 6.2 | (1,-2,0) |
| 29.47 | 3.0309 | 10.7 | (2,-1,1) |
| 29.81 | 2.9971 | 10.8 | (1,-2,1) |
| 30.96 | 2.8880 | 9.7 | (1,0,3) |
| 31.07 | 2.8781 | 9.6 | (1,-1,3) |
| 32.42 | 2.7614 | 14.9 | (2,0,0) |
| 32.84 | 2.7274 | 30.4 | (2,-2,0) |
| 33.27 | 2.6929 | 7.6 | (2,-1,2) |
| 33.58 | 2.6692 | 8.0 | (1,-2,2) |
| 33.63 | 2.6648 | 7.7 | (2,0,1) |
| 34.03 | 2.6342 | 7.5 | (2,-2,1) |
| 34.03 | 2.6342 | 7.5 | (0,2,1) |
| 35.32 | 2.5411 | 38.2 | (0,0,4) |
| 37.05 | 2.4264 | 52.6 | (2,0,2) |
Energy Properties
Formation Energy/atom
0.13151
eV/atom
Energy/atom
-2.52079
eV/atom
Energy above Hull
0.1412
eV/atom
Uncorrected Energy
-2.5208
eV/atom
Volume/atom
22.01
ų
c/a Ratio
1.6003
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
3.9130
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.011110
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
B
Score
0.768
Family
Mg-based Alloy
Matrix Element
Mg · 0.875
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1026504
Reference Citation
The crystal structure and related material properties of HfMg14Cr were obtained from the Materials Project database (MP-ID: mp-1026504, 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_HfMg14Cr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.35133053
_cell_length_b 6.27316629
_cell_length_c 10.16426781
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.59372940
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfMg14Cr
_chemical_formula_sum 'Hf1 Mg14 Cr1'
_cell_volume 352.14511249
_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
Hf Hf0 1 0.16322027 0.83160964 0.12500000 1.0
Mg Mg1 1 0.16614729 0.33307315 0.62500000 1.0
Mg Mg2 1 0.16695416 0.83347658 0.62500000 1.0
Mg Mg3 1 0.66295838 0.33672550 0.12500000 1.0
Mg Mg4 1 0.66615874 0.33249383 0.62500000 1.0
Mg Mg5 1 0.66295838 0.82623189 0.12500000 1.0
Mg Mg6 1 0.66615874 0.83366390 0.62500000 1.0
Mg Mg7 1 0.32962134 0.16579085 0.36995727 1.0
Mg Mg8 1 0.32962134 0.16579085 0.88004273 1.0
Mg Mg9 1 0.32962134 0.66383148 0.36995727 1.0
Mg Mg10 1 0.32962134 0.66383148 0.88004273 1.0
Mg Mg11 1 0.83974533 0.16987316 0.36788207 1.0
Mg Mg12 1 0.83974533 0.16987316 0.88211793 1.0
Mg Mg13 1 0.83802650 0.66901375 0.37508210 1.0
Mg Mg14 1 0.83802650 0.66901375 0.87491790 1.0
Cr Cr15 1 0.17141502 0.33570701 0.12500000 1.0
