Basic Information
Formula
La2Ho3Os2
MP-ID
mp-3293867
Elements
3
Sites
14
Density
10.0794
g/cm³
Volume
379.92
ų
Cell a
6.5577
Å
Cell b
7.2669
Å
Cell c
8.6801
Å
α Angle
96.73
°
β Angle
112.19
°
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 |
|---|---|---|---|
| 14.61 | 6.0648 | 29.4 | (1,0,-1) |
| 18.66 | 4.7549 | 5.8 | (1,1,-1) |
| 19.58 | 4.5346 | 98.1 | (1,-1,-1) |
| 22.30 | 3.9863 | 16.4 | (0,0,2) |
| 23.76 | 3.7452 | 19.8 | (1,1,-2) |
| 24.70 | 3.6043 | 1.3 | (0,2,0) |
| 25.81 | 3.4522 | 1.7 | (0,2,-1) |
| 28.19 | 3.1660 | 35.0 | (1,2,-1) |
| 28.44 | 3.1386 | 4.8 | (0,2,1) |
| 29.43 | 3.0350 | 12.5 | (1,2,0) |
| 29.46 | 3.0324 | 3.9 | (2,0,-2) |
| 29.94 | 2.9846 | 41.3 | (2,1,-1) |
| 29.94 | 2.9846 | 41.3 | (2,-1,-1) |
| 31.19 | 2.8679 | 100.0 | (1,0,-3) |
| 31.28 | 2.8594 | 40.0 | (0,2,-2) |
| 31.30 | 2.8580 | 51.4 | (1,2,-2) |
| 31.45 | 2.8445 | 22.3 | (2,1,-2) |
| 31.45 | 2.8445 | 22.3 | (2,-1,0) |
| 32.25 | 2.7754 | 43.7 | (1,1,-3) |
| 32.58 | 2.7483 | 39.7 | (2,-1,-2) |
| 32.58 | 2.7483 | 39.7 | (2,1,0) |
| 33.73 | 2.6575 | 16.3 | (0,0,3) |
| 34.60 | 2.5921 | 54.9 | (1,-2,-2) |
| 34.96 | 2.5664 | 86.1 | (1,-1,-3) |
Energy Properties
Formation Energy/atom
-0.30252
eV/atom
Energy/atom
-38.03167
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-38.0317
eV/atom
Volume/atom
27.14
ų
c/a Ratio
1.3237
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.1325
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000350
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ho · 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
Ho-rich Multi-Component
Matrix Element
Ho · 0.429
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293867
Reference Citation
The crystal structure and related material properties of La2Ho3Os2 were obtained from the Materials Project database (MP-ID: mp-3293867, 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_La2Ho3Os2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.55769852
_cell_length_b 7.26694435
_cell_length_c 8.68014313
_cell_angle_alpha 96.72510245
_cell_angle_beta 112.19385674
_cell_angle_gamma 89.99999578
_symmetry_Int_Tables_number 1
_chemical_formula_structural La2Ho3Os2
_chemical_formula_sum 'La4 Ho6 Os4'
_cell_volume 379.92496235
_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 0.97839115 0.90886419 0.19528796 1.0
La La1 1 0.78310119 0.59113581 0.80471204 1.0
La La2 1 0.02160885 0.09113581 0.80471204 1.0
La La3 1 0.21689881 0.40886419 0.19528796 1.0
Ho Ho4 1 0.63343623 0.81570592 0.42987198 1.0
Ho Ho5 1 0.20356325 0.68429408 0.57012802 1.0
Ho Ho6 1 0.36656377 0.18429408 0.57012802 1.0
Ho Ho7 1 0.79643675 0.31570592 0.42987198 1.0
Ho Ho8 1 0.43071799 0.75000000 0.00000000 1.0
Ho Ho9 1 0.56928201 0.25000000 1.00000000 1.0
Os Os10 1 0.82273309 0.57762777 0.22406415 1.0
Os Os11 1 0.59866894 0.92237223 0.77593585 1.0
Os Os12 1 0.17726691 0.42237223 0.77593585 1.0
Os Os13 1 0.40133106 0.07762777 0.22406415 1.0
