NdRh
传统材料 TRAMP-ID: mp-999335 · Space group: Cmcm (#63)
Basic Information
Formula
NdRh
MP-ID
mp-999335
Elements
2
Sites
4
Density
9.0123
g/cm³
Volume
91.08
ų
Cell a
3.9408
Å
Cell b
4.1983
Å
Cell c
5.8469
Å
α Angle
90.00
°
β Angle
70.31
°
γ Angle
90.00
°
Space Group
Cmcm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oC
Stability
Yes
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 |
|---|---|---|---|
| 16.10 | 5.5049 | 2.7 | (0,0,1) |
| 26.70 | 3.3383 | 6.9 | (0,1,1) |
| 32.20 | 2.7802 | 100.0 | (1,1,1) |
| 32.53 | 2.7525 | 31.5 | (0,0,2) |
| 33.36 | 2.6857 | 26.1 | (1,0,2) |
| 39.13 | 2.3019 | 23.1 | (0,1,2) |
| 39.85 | 2.2624 | 60.5 | (1,1,2) |
| 43.09 | 2.0991 | 25.4 | (0,2,0) |
| 46.07 | 1.9704 | 21.0 | (2,0,1) |
| 47.29 | 1.9222 | 1.8 | (1,0,3) |
| 52.35 | 1.7478 | 7.5 | (1,1,3) |
| 54.04 | 1.6969 | 2.1 | (2,1,2) |
| 54.58 | 1.6814 | 5.3 | (0,1,3) |
| 55.02 | 1.6691 | 14.0 | (0,2,2) |
| 55.57 | 1.6539 | 12.2 | (1,2,2) |
| 57.52 | 1.6022 | 12.3 | (2,0,3) |
| 62.00 | 1.4969 | 11.7 | (2,1,3) |
| 63.71 | 1.4608 | 6.8 | (1,0,4) |
| 63.71 | 1.4608 | 6.8 | (1,0,-3) |
| 64.91 | 1.4366 | 14.9 | (2,2,1) |
| 65.89 | 1.4177 | 1.3 | (1,2,3) |
| 72.14 | 1.3094 | 9.6 | (1,3,1) |
| 72.24 | 1.3078 | 6.9 | (0,1,4) |
| 74.13 | 1.2790 | 2.1 | (2,1,4) |
Energy Properties
Formation Energy/atom
-0.67771
eV/atom
Energy/atom
-6.74394
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-27.5051
eV/atom
Volume/atom
22.77
ų
c/a Ratio
1.4837
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
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Nd · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.624
Family
Binary Alloy
Matrix Element
Nd · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-999335
Reference Citation
The crystal structure and related material properties of NdRh were obtained from the Materials Project database (MP-ID: mp-999335, 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_NdRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94075678
_cell_length_b 4.19827781
_cell_length_c 5.84692258
_cell_angle_alpha 90.00000000
_cell_angle_beta 70.30615093
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NdRh
_chemical_formula_sum 'Nd2 Rh2'
_cell_volume 91.07550246
_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
Nd Nd0 1 0.14114615 0.75000000 0.71770870 1.0
Nd Nd1 1 0.85885385 0.25000000 0.28229130 1.0
Rh Rh2 1 0.41543216 0.75000000 0.16913568 1.0
Rh Rh3 1 0.58456784 0.25000000 0.83086432 1.0
