Bi2Pd5

Traditional Materials TRA

MP-ID: mp-30464 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

Bi2Pd5

MP-ID

mp-30464

Elements

Sites

Density

12.4373

g/cm³

Volume

253.69

Å³

Cell a

5.8691

Cell b

6.8021

Cell c

7.7287

α Angle

115.13

β Angle

112.28

γ Angle

90.00

Space Group

C2/m

Point Group

2/m

Crystal System

Monoclinic

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
24.29	3.6638	12.6	(1,1,0)
24.31	3.6615	12.6	(1,-1,-1)
24.58	3.6216	11.7	(1,-1,1)
24.59	3.6196	11.7	(1,1,-2)
24.97	3.5659	5.6	(0,1,-2)
26.21	3.4005	15.9	(0,2,-1)
28.08	3.1773	18.6	(0,0,2)
30.04	2.9750	8.9	(0,2,-2)
30.46	2.9345	19.0	(2,0,-1)
33.63	2.6650	5.1	(2,0,0)
33.65	2.6634	5.0	(2,0,-2)
33.95	2.6403	3.8	(2,1,-1)
33.97	2.6394	3.9	(2,-1,-1)
34.06	2.6322	21.0	(2,-1,0)
34.07	2.6315	21.2	(2,1,-2)
37.49	2.3988	1.2	(1,-2,2)
37.51	2.3980	1.2	(1,2,-3)
38.02	2.3664	54.4	(0,1,-3)
38.41	2.3437	100.0	(0,2,1)
39.17	2.3001	32.8	(0,2,-3)
39.77	2.2666	3.3	(2,-1,1)
39.79	2.2652	3.4	(2,1,-3)
40.28	2.2390	3.7	(0,3,-1)
40.55	2.2245	48.9	(0,3,-2)

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Energy Properties

Formation Energy/atom

-0.25099

eV/atom

Energy/atom

-33.36625

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-33.3662

eV/atom

Volume/atom

18.12

Å³

c/a Ratio

1.3169

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pd · 0.714

Element Family

N/A

Solute Fraction

0.286

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.722

Family

Binary Alloy

Matrix Element

Pd · 0.714

Related Tasks

Related computation task IDs (5)

aaadngrd aaadqzdl aaaekyvt aaaeudqf aaafspbb

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30464

Reference Citation

The crystal structure and related material properties of Bi2Pd5 were obtained from the Materials Project database (MP-ID: mp-30464, 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…

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Raw CIF Data

# generated using pymatgen
data_Bi2Pd5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86907876
_cell_length_b   6.80214419
_cell_length_c   7.72867934
_cell_angle_alpha   115.12698734
_cell_angle_beta   112.27544878
_cell_angle_gamma   89.99573514
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2Pd5
_chemical_formula_sum   'Bi4 Pd10'
_cell_volume   253.69051058
_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
  Bi  Bi0  1  0.60045947  0.90463485  0.20092240  1.0
  Bi  Bi1  1  0.39954053  0.09536515  0.79907760  1.0
  Bi  Bi2  1  0.87089458  0.64533302  0.74150907  1.0
  Bi  Bi3  1  0.12910542  0.35466698  0.25849093  1.0
  Pd  Pd4  1  0.52476873  0.23584933  0.54672123  1.0
  Pd  Pd5  1  0.97862801  0.76420356  0.45332057  1.0
  Pd  Pd6  1  0.47523127  0.76415067  0.45327877  1.0
  Pd  Pd7  1  0.02137199  0.23579644  0.54667943  1.0
  Pd  Pd8  1  0.74856127  0.50034766  0.00002403  1.0
  Pd  Pd9  1  0.25143873  0.49965234  -0.00002403  1.0
  Pd  Pd10  1  0.09648105  0.91135066  0.19269635  1.0
  Pd  Pd11  1  0.90351895  0.08864934  0.80730365  1.0
  Pd  Pd12  1  0.36703491  0.64190835  0.73399843  1.0
  Pd  Pd13  1  0.63296509  0.35809165  0.26600157  1.0

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