Basic Information
Formula
RbMg14Cr
MP-ID
mp-1026619
Elements
3
Sites
16
Density
2.0281
g/cm³
Volume
391.14
ų
Cell a
6.4945
Å
Cell b
6.4945
Å
Cell c
10.7083
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-6m2
Point Group
-6m2
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
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 |
|---|---|---|---|
| 15.76 | 5.6244 | 15.3 | (1,0,-1,0) |
| 16.56 | 5.3541 | 5.7 | (0,0,0,2) |
| 17.81 | 4.9793 | 2.4 | (1,0,-1,1) |
| 22.93 | 3.8780 | 15.3 | (1,0,-1,2) |
| 24.95 | 3.5694 | 1.9 | (0,0,0,3) |
| 27.47 | 3.2472 | 4.5 | (2,-1,-1,0) |
| 28.73 | 3.1075 | 1.7 | (2,-1,-1,1) |
| 29.64 | 3.0137 | 2.4 | (1,0,-1,3) |
| 31.82 | 2.8122 | 26.2 | (2,0,-2,0) |
| 32.24 | 2.7765 | 5.6 | (2,-1,-1,2) |
| 32.93 | 2.7200 | 1.4 | (2,0,-2,1) |
| 33.47 | 2.6771 | 25.3 | (0,0,0,4) |
| 36.08 | 2.4897 | 100.0 | (2,0,-2,2) |
| 37.20 | 2.4172 | 3.4 | (1,0,-1,4) |
| 42.53 | 2.1258 | 3.0 | (3,-1,-2,0) |
| 43.83 | 2.0656 | 2.8 | (2,-1,-1,4) |
| 45.93 | 1.9758 | 3.7 | (3,-1,-2,2) |
| 46.86 | 1.9390 | 16.5 | (2,0,-2,4) |
| 49.93 | 1.8264 | 1.1 | (3,-1,-2,3) |
| 53.80 | 1.7038 | 2.0 | (2,0,-2,5) |
| 53.90 | 1.7011 | 1.6 | (1,0,-1,6) |
| 55.17 | 1.6648 | 1.6 | (3,-1,-2,4) |
| 56.69 | 1.6236 | 5.7 | (4,-2,-2,0) |
| 56.69 | 1.6236 | 11.4 | (2,2,-4,0) |
Energy Properties
Formation Energy/atom
0.24727
eV/atom
Energy/atom
-1.84399
eV/atom
Energy above Hull
0.2473
eV/atom
Uncorrected Energy
-1.8440
eV/atom
Volume/atom
24.45
ų
c/a Ratio
1.6488
Electronic Properties
Metallic
Non-metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1026619
Reference Citation
The crystal structure and related material properties of RbMg14Cr were obtained from the Materials Project database (MP-ID: mp-1026619, 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_RbMg14Cr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.49446806
_cell_length_b 6.49446752
_cell_length_c 10.70824821
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000275
_symmetry_Int_Tables_number 1
_chemical_formula_structural RbMg14Cr
_chemical_formula_sum 'Rb1 Mg14 Cr1'
_cell_volume 391.14355924
_cell_formula_units_Z 1
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 0.16666700 0.33333300 0.12500000 1.0
Mg Mg1 1 0.17277089 0.83638495 0.12500000 1.0
Mg Mg2 1 0.16242190 0.83121045 0.62500000 1.0
Mg Mg3 1 0.66361505 0.32722911 0.12500000 1.0
Mg Mg4 1 0.66878955 0.33757810 0.62500000 1.0
Mg Mg5 1 0.66361505 0.83638495 0.12500000 1.0
Mg Mg6 1 0.66878955 0.83121045 0.62500000 1.0
Mg Mg7 1 0.33612188 0.16387812 0.39694058 1.0
Mg Mg8 1 0.33612188 0.16387812 0.85305942 1.0
Mg Mg9 1 0.33612188 0.67224476 0.39694058 1.0
Mg Mg10 1 0.33612188 0.67224476 0.85305942 1.0
Mg Mg11 1 0.82775524 0.16387812 0.39694058 1.0
Mg Mg12 1 0.82775524 0.16387812 0.85305942 1.0
Mg Mg13 1 0.83333300 0.66666700 0.36925511 1.0
Mg Mg14 1 0.83333300 0.66666700 0.88074489 1.0
Cr Cr15 1 0.16666700 0.33333300 0.62500000 1.0
