Basic Information
Formula
NdMgPt
MP-ID
mp-11091
Elements
3
Sites
9
Density
8.9237
g/cm³
Volume
202.99
ų
Cell a
7.5340
Å
Cell b
7.5340
Å
Cell c
4.1296
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 |
|---|---|---|---|
| 13.57 | 6.5246 | 5.3 | (1,0,-1,0) |
| 21.52 | 4.1296 | 3.3 | (0,0,0,1) |
| 23.62 | 3.7670 | 55.3 | (2,-1,-1,0) |
| 25.53 | 3.4894 | 30.0 | (1,0,-1,1) |
| 27.34 | 3.2623 | 12.9 | (2,0,-2,0) |
| 32.16 | 2.7830 | 61.6 | (2,-1,-1,1) |
| 35.05 | 2.5599 | 100.0 | (2,0,-2,1) |
| 36.43 | 2.4661 | 13.3 | (3,-1,-2,0) |
| 41.52 | 2.1749 | 12.8 | (3,-3,0,0) |
| 41.52 | 2.1749 | 25.5 | (3,0,-3,0) |
| 42.71 | 2.1173 | 38.3 | (3,-1,-2,1) |
| 43.85 | 2.0648 | 22.5 | (0,0,0,2) |
| 48.32 | 1.8835 | 16.6 | (4,-2,-2,0) |
| 50.40 | 1.8106 | 15.0 | (2,-1,-1,2) |
| 50.43 | 1.8096 | 10.6 | (4,-1,-3,0) |
| 52.45 | 1.7447 | 4.3 | (2,0,-2,2) |
| 53.47 | 1.7137 | 1.9 | (4,-2,-2,1) |
| 55.44 | 1.6575 | 2.8 | (3,-4,1,1) |
| 55.44 | 1.6575 | 14.1 | (4,-1,-3,1) |
| 58.28 | 1.5831 | 6.7 | (3,-1,-2,2) |
| 61.08 | 1.5171 | 1.2 | (4,-4,0,1) |
| 61.08 | 1.5171 | 2.4 | (4,0,-4,1) |
| 61.97 | 1.4974 | 23.7 | (3,0,-3,2) |
| 65.57 | 1.4238 | 10.4 | (5,-1,-4,0) |
Energy Properties
Formation Energy/atom
-0.88517
eV/atom
Energy/atom
-5.04176
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-29.3198
eV/atom
Volume/atom
22.55
ų
c/a Ratio
0.5481
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
77.781
GPa
GVRH
26.504
GPa
Young's Modulus E
71.402
GPa
Poisson Ratio ν
0.347
Pugh Ratio K/G
2.935
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
0.220
Lame λ
60.112
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Nd · 0.333
Element Family
N/A
Solute Fraction
0.667
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.430
Family
Nd-rich Multi-Component
Matrix Element
Nd · 0.333
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-11091
Reference Citation
The crystal structure and related material properties of NdMgPt were obtained from the Materials Project database (MP-ID: mp-11091, 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_NdMgPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.53398066
_cell_length_b 7.53398096
_cell_length_c 4.12956699
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000326
_symmetry_Int_Tables_number 1
_chemical_formula_structural NdMgPt
_chemical_formula_sum 'Nd3 Mg3 Pt3'
_cell_volume 202.99444438
_cell_formula_units_Z 3
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
Nd Nd0 1 0.41273177 0.41273177 0.00000000 1.0
Nd Nd1 1 0.58726823 0.00000000 0.00000000 1.0
Nd Nd2 1 0.00000000 0.58726823 0.00000000 1.0
Mg Mg3 1 0.00000000 0.23851179 0.50000000 1.0
Mg Mg4 1 0.76148821 0.76148821 0.50000000 1.0
Mg Mg5 1 0.23851179 0.00000000 0.50000000 1.0
Pt Pt6 1 0.66666700 0.33333300 0.50000000 1.0
Pt Pt7 1 -0.00000000 -0.00000000 0.00000000 1.0
Pt Pt8 1 0.33333300 0.66666700 0.50000000 1.0
