Basic Information
Formula
La2Y3Rh2
MP-ID
mp-3295747
Elements
3
Sites
14
Density
6.3198
g/cm³
Volume
394.31
ų
Cell a
6.6114
Å
Cell b
7.1579
Å
Cell c
9.0093
Å
α Angle
95.75
°
β Angle
111.53
°
γ Angle
90.00
°
Space Group
C2/c
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mC
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 |
|---|---|---|---|
| 10.62 | 8.3321 | 15.3 | (0,0,1) |
| 18.70 | 4.7453 | 5.0 | (1,1,-1) |
| 19.46 | 4.5623 | 80.1 | (1,1,0) |
| 21.33 | 4.1661 | 52.2 | (0,0,2) |
| 23.47 | 3.7910 | 4.8 | (1,1,-2) |
| 25.27 | 3.5249 | 13.6 | (1,-1,-2) |
| 26.15 | 3.4075 | 1.4 | (0,2,-1) |
| 28.32 | 3.1519 | 21.9 | (0,2,1) |
| 28.48 | 3.1337 | 22.4 | (1,2,-1) |
| 29.06 | 3.0727 | 2.2 | (2,0,-2) |
| 29.06 | 3.0727 | 2.2 | (2,0,0) |
| 29.50 | 3.0275 | 15.4 | (1,2,0) |
| 29.50 | 3.0275 | 15.4 | (1,-2,-1) |
| 29.80 | 2.9980 | 94.8 | (2,1,-1) |
| 30.03 | 2.9761 | 74.9 | (1,0,-3) |
| 30.03 | 2.9761 | 74.9 | (1,0,2) |
| 31.25 | 2.8627 | 49.4 | (2,1,-2) |
| 31.25 | 2.8627 | 49.4 | (2,-1,0) |
| 31.25 | 2.8622 | 59.6 | (0,2,-2) |
| 31.42 | 2.8470 | 85.0 | (1,2,-2) |
| 31.45 | 2.8448 | 24.6 | (1,1,-3) |
| 31.45 | 2.8448 | 24.6 | (1,-1,2) |
| 32.19 | 2.7810 | 100.0 | (2,1,0) |
| 32.23 | 2.7774 | 34.4 | (0,0,3) |
Energy Properties
Formation Energy/atom
-0.58764
eV/atom
Energy/atom
-24.68804
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-24.6880
eV/atom
Volume/atom
28.16
ų
c/a Ratio
1.3627
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.6382
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.001620
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Y · 0.429
Element Family
N/A
Solute Fraction
0.571
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.470
Family
Y-rich Multi-Component
Matrix Element
Y · 0.429
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3295747
Reference Citation
The crystal structure and related material properties of La2Y3Rh2 were obtained from the Materials Project database (MP-ID: mp-3295747, 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_La2Y3Rh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.61140459
_cell_length_b 7.15787634
_cell_length_c 9.00929953
_cell_angle_alpha 95.75189061
_cell_angle_beta 111.52586660
_cell_angle_gamma 89.99999209
_symmetry_Int_Tables_number 1
_chemical_formula_structural La2Y3Rh2
_chemical_formula_sum 'La4 Y6 Rh4'
_cell_volume 394.30695016
_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
La La0 1 0.98024229 0.90921190 0.19544121 1.0
La La1 1 0.78480008 0.59078810 0.80455879 1.0
La La2 1 0.01975771 0.09078810 0.80455879 1.0
La La3 1 0.21519992 0.40921190 0.19544121 1.0
Y Y4 1 0.64089638 0.81792639 0.42897355 1.0
Y Y5 1 0.21192283 0.68207361 0.57102645 1.0
Y Y6 1 0.35910362 0.18207361 0.57102645 1.0
Y Y7 1 0.78807717 0.31792639 0.42897355 1.0
Y Y8 1 0.42976928 0.75000000 1.00000000 1.0
Y Y9 1 0.57023072 0.25000000 0.00000000 1.0
Rh Rh10 1 0.82099997 0.57957315 0.22456079 1.0
Rh Rh11 1 0.59644018 0.92042685 0.77543921 1.0
Rh Rh12 1 0.17900003 0.42042685 0.77543921 1.0
Rh Rh13 1 0.40355982 0.07957315 0.22456079 1.0
