Ho2Er18Bi7Sb5
高熵材料 HEAMP-ID: mp-3295498 · Space group: P1 (#1)
Basic Information
Formula
Ho2Er18Bi7Sb5
MP-ID
mp-3295498
Elements
4
Sites
32
Density
10.0760
g/cm³
Volume
891.94
ų
Cell a
8.0897
Å
Cell b
9.2878
Å
Cell c
11.8712
Å
α Angle
90.06
°
β Angle
89.97
°
γ Angle
89.87
°
Space Group
P1
Point Group
1
Crystal System
Triclinic
Bravais Lattice
aP
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 |
|---|---|---|---|
| 12.11 | 7.3114 | 1.0 | (0,1,1) |
| 13.24 | 6.6869 | 6.8 | (1,0,1) |
| 13.25 | 6.6832 | 9.1 | (1,0,-1) |
| 16.32 | 5.4301 | 1.0 | (1,1,1) |
| 21.98 | 4.0448 | 2.5 | (2,0,0) |
| 23.23 | 3.8294 | 2.0 | (2,0,1) |
| 23.24 | 3.8280 | 3.2 | (2,0,-1) |
| 23.30 | 3.8180 | 2.0 | (1,2,-1) |
| 23.31 | 3.8167 | 1.1 | (1,2,1) |
| 23.35 | 3.8092 | 1.8 | (1,-2,-1) |
| 25.05 | 3.5554 | 14.2 | (1,0,3) |
| 25.06 | 3.5538 | 15.1 | (1,0,-3) |
| 26.72 | 3.3358 | 3.7 | (1,2,-2) |
| 26.74 | 3.3341 | 2.1 | (1,2,2) |
| 26.75 | 3.3322 | 2.2 | (1,-2,2) |
| 26.78 | 3.3287 | 3.9 | (1,-2,-2) |
| 28.36 | 3.1467 | 1.1 | (2,1,-2) |
| 29.82 | 2.9965 | 5.5 | (0,3,-1) |
| 29.83 | 2.9950 | 7.4 | (0,3,1) |
| 30.11 | 2.9678 | 21.4 | (0,0,4) |
| 30.22 | 2.9574 | 63.2 | (2,2,-1) |
| 30.22 | 2.9571 | 60.2 | (2,2,1) |
| 30.28 | 2.9518 | 60.9 | (2,-2,1) |
| 30.30 | 2.9502 | 63.8 | (2,-2,-1) |
Energy Properties
Formation Energy/atom
-0.88500
eV/atom
Energy/atom
-38.83712
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-38.8371
eV/atom
Volume/atom
27.87
ų
c/a Ratio
1.4675
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0143
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000020
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Er · 0.563
Element Family
Lanthanide
Solute Fraction
0.438
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.1194
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.3070
J/mol·K
Ω Parameter
94.1020
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
6.729%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3843
smaller = more stable mixing
VEC
9.313
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-0.137
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8075
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3295498
Reference Citation
The crystal structure and related material properties of Ho2Er18Bi7Sb5 were obtained from the Materials Project database (MP-ID: mp-3295498, 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_Ho2Er18Bi7Sb5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.08965304
_cell_length_b 9.28777339
_cell_length_c 11.87120282
_cell_angle_alpha 90.05692235
_cell_angle_beta 89.96626855
_cell_angle_gamma 89.86927322
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho2Er18Bi7Sb5
_chemical_formula_sum 'Ho2 Er18 Bi7 Sb5'
_cell_volume 891.93829540
_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
Ho Ho0 1 0.67991992 0.75034153 0.78392777 1.0
Ho Ho1 1 0.18052292 0.75013577 0.71619441 1.0
Er Er2 1 0.35745477 0.75432214 0.21442928 1.0
Er Er3 1 0.84993955 0.75410309 0.28733146 1.0
Er Er4 1 0.64643840 0.24979711 0.78653924 1.0
Er Er5 1 0.14652794 0.24944210 0.71278607 1.0
Er Er6 1 0.69098152 0.56369193 0.05974957 1.0
Er Er7 1 0.19158115 0.93806560 0.44048907 1.0
Er Er8 1 0.31022013 0.06287222 0.94140053 1.0
Er Er9 1 0.80861306 0.43656397 0.55845054 1.0
Er Er10 1 0.30949903 0.43670613 0.94107271 1.0
Er Er11 1 0.80893035 0.06202960 0.55656154 1.0
Er Er12 1 0.68826891 0.93790883 0.06141913 1.0
Er Er13 1 0.19186311 0.56312627 0.43999746 1.0
Er Er14 1 0.47343486 0.24754847 0.48709065 1.0
Er Er15 1 0.97349646 0.25001899 0.01213391 1.0
Er Er16 1 0.52742162 0.75216471 0.50934644 1.0
Er Er17 1 0.02650652 0.75014229 0.98941159 1.0
Er Er18 1 0.32158729 0.24623246 0.21668530 1.0
Er Er19 1 0.81636101 0.24520496 0.28436411 1.0
Bi Bi20 1 0.06588308 0.50369536 0.17533597 1.0
Bi Bi21 1 0.43434674 0.49599958 0.67271780 1.0
Bi Bi22 1 0.93381809 0.00397470 0.82612841 1.0
Bi Bi23 1 0.43421660 0.00399281 0.67406389 1.0
Bi Bi24 1 0.93409096 0.49596052 0.82608051 1.0
Bi Bi25 1 0.56613177 0.50302736 0.32556595 1.0
Bi Bi26 1 0.06616192 0.99637521 0.17409047 1.0
Sb Sb27 1 0.40705406 0.74933837 0.96087152 1.0
Sb Sb28 1 0.90850747 0.74902322 0.53909581 1.0
Sb Sb29 1 0.59294046 0.25102620 0.03943544 1.0
Sb Sb30 1 0.09200960 0.25074273 0.45980064 1.0
Sb Sb31 1 0.56526373 0.99642480 0.32743179 1.0
