Basic Information
Formula
RbMnSb
MP-ID
mp-3165
Elements
3
Sites
6
Density
4.4180
g/cm³
Volume
197.07
ų
Cell a
4.7629
Å
Cell b
4.7629
Å
Cell c
8.6873
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4/nmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tP
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 |
|---|---|---|---|
| 10.18 | 8.6873 | 34.7 | (0,0,1) |
| 20.45 | 4.3437 | 3.4 | (0,0,2) |
| 21.27 | 4.1764 | 7.4 | (1,0,1) |
| 26.47 | 3.3679 | 40.2 | (1,1,0) |
| 27.80 | 3.2094 | 100.0 | (1,0,2) |
| 28.42 | 3.1402 | 7.1 | (1,1,1) |
| 33.67 | 2.6616 | 47.6 | (1,1,2) |
| 36.31 | 2.4743 | 1.6 | (1,0,3) |
| 37.78 | 2.3814 | 47.4 | (2,0,0) |
| 39.23 | 2.2967 | 5.0 | (2,0,1) |
| 41.11 | 2.1957 | 8.9 | (1,1,3) |
| 43.33 | 2.0882 | 2.1 | (2,0,2) |
| 43.76 | 2.0688 | 2.3 | (2,1,1) |
| 45.92 | 1.9761 | 23.8 | (1,0,4) |
| 47.54 | 1.9125 | 44.7 | (2,1,2) |
| 49.97 | 1.8252 | 14.8 | (1,1,4) |
| 52.68 | 1.7375 | 1.8 | (0,0,5) |
| 53.40 | 1.7158 | 1.0 | (2,1,3) |
| 54.49 | 1.6839 | 15.8 | (2,2,0) |
| 55.59 | 1.6532 | 1.7 | (2,2,1) |
| 60.92 | 1.5207 | 20.2 | (2,1,4) |
| 61.57 | 1.5062 | 7.6 | (3,1,0) |
| 62.26 | 1.4912 | 9.9 | (3,0,2) |
| 62.59 | 1.4840 | 1.2 | (3,1,1) |
Energy Properties
Formation Energy/atom
-0.17323
eV/atom
Energy/atom
-4.93042
eV/atom
Energy above Hull
0.1702
eV/atom
Uncorrected Energy
-4.8664
eV/atom
Volume/atom
32.85
ų
c/a Ratio
1.8240
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
9.2540
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.046960
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Rb · 0.333
Element Family
N/A
Solute Fraction
0.667
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.316
Family
Rb-rich Multi-Component
Matrix Element
Rb · 0.333
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3165
Reference Citation
The crystal structure and related material properties of RbMnSb were obtained from the Materials Project database (MP-ID: mp-3165, 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_RbMnSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76288700
_cell_length_b 4.76288700
_cell_length_c 8.68731800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural RbMnSb
_chemical_formula_sum 'Rb2 Mn2 Sb2'
_cell_volume 197.07261306
_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
Rb Rb0 1 0.50000000 0.00000000 0.65649800 1.0
Rb Rb1 1 0.00000000 0.50000000 0.34350200 1.0
Mn Mn2 1 0.50000000 0.50000000 0.00000000 1.0
Mn Mn3 1 0.00000000 0.00000000 0.00000000 1.0
Sb Sb4 1 0.50000000 0.00000000 0.17366600 1.0
Sb Sb5 1 0.00000000 0.50000000 0.82633400 1.0
