Tb7Ho3(Bi2Ru)2

高熵材料 HEA

MP-ID: mp-3296159 · Space group: P-1 (#2)

Materials Project API

Basic Information

Formula

Tb7Ho3(Bi2Ru)2

MP-ID

mp-3296159

Elements

Sites

Density

9.7992

g/cm³

Volume

896.54

Å³

Cell a

8.0033

Cell b

8.9768

Cell c

12.4790

α Angle

89.95

β Angle

90.02

γ Angle

90.06

Space Group

P-1

Point Group

-1

Crystal System

Triclinic

Bravais Lattice

Stability

Yes

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
14.82	5.9767	1.5	(1,-1,0)
14.84	5.9709	1.3	(1,1,0)
18.02	4.9215	2.7	(1,0,-2)
18.03	4.9201	2.9	(1,0,2)
19.78	4.4884	5.7	(0,2,0)
22.22	4.0016	16.5	(2,0,0)
23.34	3.8108	2.8	(2,0,-1)
23.35	3.8102	2.7	(2,0,1)
23.81	3.7376	1.3	(1,-2,-1)
23.82	3.7358	1.4	(1,-2,1)
23.83	3.7345	1.4	(1,2,1)
23.83	3.7333	1.3	(1,2,-1)
24.11	3.6913	10.2	(1,0,-3)
24.12	3.6905	10.3	(1,0,3)
25.38	3.5093	1.7	(2,-1,-1)
25.39	3.5082	1.7	(2,-1,1)
25.40	3.5065	1.9	(2,1,1)
25.40	3.5063	1.9	(2,1,-1)
26.87	3.3184	7.1	(1,-2,-2)
26.89	3.3160	7.2	(1,2,2)
26.89	3.3158	7.1	(1,-2,2)
26.90	3.3143	7.1	(1,2,-2)
28.28	3.1554	1.8	(2,-1,-2)
28.30	3.1537	1.6	(2,-1,2)

Get direct link

Energy Properties

Formation Energy/atom

-0.74810

eV/atom

Energy/atom

-38.37855

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-38.3786

eV/atom

Volume/atom

28.02

Å³

c/a Ratio

1.5592

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.5142

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.001690

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tb · 0.438

Element Family

Lanthanide

Solute Fraction

0.563

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2820

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.6589

J/mol·K

Ω Parameter

4.8261

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

8.245%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4609

smaller = more stable mixing

VEC

8.250

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

3.313

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9248

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfnzj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296159

Reference Citation

The crystal structure and related material properties of Tb7Ho3(Bi2Ru)2 were obtained from the Materials Project database (MP-ID: mp-3296159, 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

Loading 3D structure…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Tb7Ho3(Bi2Ru)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.00324806
_cell_length_b   8.97683292
_cell_length_c   12.47899549
_cell_angle_alpha   89.95208144
_cell_angle_beta   90.01649177
_cell_angle_gamma   90.05579109
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb7Ho3(Bi2Ru)2
_chemical_formula_sum   'Tb14 Ho6 Bi8 Ru4'
_cell_volume   896.53793865
_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
  Tb  Tb0  1  0.84498788  0.75054536  0.79619071  1.0
  Tb  Tb1  1  0.15501212  0.24945464  0.20380929  1.0
  Tb  Tb2  1  0.34515572  0.25005755  0.70362019  1.0
  Tb  Tb3  1  0.65484428  0.74994245  0.29637981  1.0
  Tb  Tb4  1  0.37990607  0.74960905  0.68897482  1.0
  Tb  Tb5  1  0.62009393  0.25039095  0.31102518  1.0
  Tb  Tb6  1  0.87970452  0.24866599  0.81019299  1.0
  Tb  Tb7  1  0.12029548  0.75133401  0.18980701  1.0
  Tb  Tb8  1  0.94683897  0.75005367  0.50383063  1.0
  Tb  Tb9  1  0.05316103  0.24994633  0.49616937  1.0
  Tb  Tb10  1  0.44755845  0.24886568  0.99627660  1.0
  Tb  Tb11  1  0.55244155  0.75113432  0.00372340  1.0
  Tb  Tb12  1  0.82355731  0.46198557  0.06521016  1.0
  Tb  Tb13  1  0.17644269  0.53801443  0.93478984  1.0
  Ho  Ho14  1  0.67413341  0.03864641  0.56526959  1.0
  Ho  Ho15  1  0.32586659  0.96135359  0.43473041  1.0
  Ho  Ho16  1  0.17380639  0.96107047  0.93473083  1.0
  Ho  Ho17  1  0.32558155  0.53861730  0.43487901  1.0
  Ho  Ho18  1  0.82619361  0.03892953  0.06526917  1.0
  Ho  Ho19  1  0.67441845  0.46138270  0.56512099  1.0
  Bi  Bi20  1  0.57027452  0.49210092  0.82762307  1.0
  Bi  Bi21  1  0.42972548  0.50789908  0.17237693  1.0
  Bi  Bi22  1  0.06842250  0.50748790  0.67218187  1.0
  Bi  Bi23  1  0.43175433  0.99268687  0.17282379  1.0
  Bi  Bi24  1  0.93157750  0.49251210  0.32781813  1.0
  Bi  Bi25  1  0.56824567  0.00731313  0.82717621  1.0
  Bi  Bi26  1  0.93091912  0.00777393  0.32795689  1.0
  Bi  Bi27  1  0.06908088  0.99222607  0.67204311  1.0
  Ru  Ru28  1  0.56736297  0.74987414  0.50790536  1.0
  Ru  Ru29  1  0.43263703  0.25012586  0.49209464  1.0
  Ru  Ru30  1  0.06832327  0.24890983  0.99150254  1.0
  Ru  Ru31  1  0.93167673  0.75109017  0.00849746  1.0

Get direct link