Yb4Sb4IrPt3
MP-ID: mp-3293575 · Space group: Pm (#6)
Basic Information
Formula
Yb4Sb4IrPt3
MP-ID
mp-3293575
Elements
4
Sites
12
Density
12.5456
g/cm³
Volume
258.99
ų
Cell a
4.5468
Å
Cell b
7.2395
Å
Cell c
7.8680
Å
α Angle
90.05
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
mP
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 |
|---|---|---|---|
| 16.63 | 5.3296 | 2.9 | (0,1,-1) |
| 16.65 | 5.3253 | 3.4 | (0,1,1) |
| 24.59 | 3.6197 | 5.6 | (0,2,0) |
| 25.76 | 3.4591 | 7.4 | (1,1,-1) |
| 25.76 | 3.4579 | 7.7 | (1,1,1) |
| 25.76 | 3.4578 | 3.5 | (0,1,-2) |
| 25.78 | 3.4554 | 2.4 | (0,1,2) |
| 27.11 | 3.2895 | 1.0 | (0,2,-1) |
| 32.53 | 2.7523 | 42.1 | (1,1,-2) |
| 32.55 | 2.7511 | 38.0 | (1,1,2) |
| 33.63 | 2.6651 | 77.5 | (1,2,-1) |
| 33.63 | 2.6648 | 26.6 | (0,2,-2) |
| 33.64 | 2.6640 | 79.7 | (1,2,1) |
| 33.66 | 2.6626 | 28.3 | (0,2,2) |
| 36.43 | 2.4665 | 6.7 | (0,1,-3) |
| 36.45 | 2.4652 | 6.6 | (0,1,3) |
| 39.03 | 2.3076 | 25.5 | (0,3,-1) |
| 39.05 | 2.3066 | 22.8 | (0,3,1) |
| 39.64 | 2.2734 | 71.0 | (2,0,0) |
| 39.67 | 2.2718 | 100.0 | (1,0,3) |
| 44.00 | 2.0578 | 1.3 | (1,3,-1) |
| 44.00 | 2.0578 | 2.3 | (0,3,-2) |
| 44.02 | 2.0570 | 1.3 | (1,3,1) |
| 44.04 | 2.0562 | 1.7 | (0,3,2) |
Energy Properties
Formation Energy/atom
-1.09864
eV/atom
Energy/atom
-39.07908
eV/atom
Energy above Hull
0.1864
eV/atom
Uncorrected Energy
-39.0791
eV/atom
Volume/atom
21.58
ų
c/a Ratio
1.7305
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-3293575
Reference Citation
The crystal structure and related material properties of Yb4Sb4IrPt3 were obtained from the Materials Project database (MP-ID: mp-3293575, 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_Yb4Sb4IrPt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.54676894
_cell_length_b 7.23948702
_cell_length_c 7.86800299
_cell_angle_alpha 90.04724399
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Yb4Sb4IrPt3
_chemical_formula_sum 'Yb4 Sb4 Ir1 Pt3'
_cell_volume 258.98525968
_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
Yb Yb0 1 0.25000000 0.00992630 0.30488866 1.0
Yb Yb1 1 0.25000000 0.51493736 0.19951584 1.0
Yb Yb2 1 0.75000000 0.99076721 0.69851432 1.0
Yb Yb3 1 0.75000000 0.48636164 0.80033477 1.0
Sb Sb4 1 0.25000000 0.68498677 0.58799574 1.0
Sb Sb5 1 0.25000000 0.18793598 0.91749847 1.0
Sb Sb6 1 0.75000000 0.31023482 0.40510054 1.0
Sb Sb7 1 0.75000000 0.82092586 0.08685810 1.0
Ir Ir8 1 0.75000000 0.19698421 0.08731140 1.0
Pt Pt9 1 0.25000000 0.29753637 0.59024503 1.0
Pt Pt10 1 0.25000000 0.79447272 0.91101313 1.0
Pt Pt11 1 0.75000000 0.70492975 0.41072300 1.0
