Er5Bi3

Traditional Materials TRA

MP-ID: mp-31466 · Space group: Pnma (#62)

Materials Project API

Basic Information

Formula

Er5Bi3

MP-ID

mp-31466

Elements

Sites

Density

10.6678

g/cm³

Volume

911.06

Å³

Cell a

8.1615

Cell b

9.3780

Cell c

11.9034

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pnma

Point Group

mmm

Crystal System

Orthorhombic

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
18.93	4.6890	1.0	(0,2,0)
21.78	4.0807	1.9	(2,0,0)
23.04	3.8602	4.0	(2,0,1)
23.12	3.8475	10.0	(1,2,1)
23.78	3.7418	2.0	(2,1,0)
24.16	3.6832	3.1	(0,2,2)
24.95	3.5684	18.8	(1,0,3)
26.55	3.3572	1.6	(1,2,2)
26.73	3.3352	1.1	(1,1,3)
29.54	3.0235	6.6	(0,3,1)
29.98	2.9802	88.7	(2,2,1)
30.03	2.9758	10.2	(0,0,4)
31.45	2.8447	32.8	(2,0,3)
31.51	2.8397	77.3	(1,2,3)
31.56	2.8352	40.8	(1,3,1)
32.01	2.7958	75.9	(1,0,4)
32.75	2.7342	100.0	(2,2,2)
32.90	2.7223	13.2	(2,1,3)
33.44	2.6793	1.3	(1,1,4)
33.80	2.6521	36.9	(3,0,1)
34.21	2.6209	2.0	(1,3,2)
35.17	2.5520	24.3	(3,1,1)
35.74	2.5126	32.7	(0,2,4)
36.20	2.4816	15.2	(2,3,0)

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Energy Properties

Formation Energy/atom

-0.76383

eV/atom

Energy/atom

-43.90558

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-43.9056

eV/atom

Volume/atom

28.47

Å³

c/a Ratio

1.4585

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0003

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

Er · 0.625

Element Family

N/A

Solute Fraction

0.375

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.679

Family

Binary Alloy

Matrix Element

Er · 0.625

Related Tasks

Related computation task IDs (3)

aaacaldf aaadrvvd aaaemnlp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-31466

Reference Citation

The crystal structure and related material properties of Er5Bi3 were obtained from the Materials Project database (MP-ID: mp-31466, 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_Er5Bi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.16146397
_cell_length_b   9.37800973
_cell_length_c   11.90337508
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er5Bi3
_chemical_formula_sum   'Er20 Bi12'
_cell_volume   911.06395626
_cell_formula_units_Z   4
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
  Er  Er0  1  0.35458369  0.75000000  0.21559281  1.0
  Er  Er1  1  0.85458369  0.75000000  0.28440719  1.0
  Er  Er2  1  0.64541631  0.25000000  0.78440719  1.0
  Er  Er3  1  0.14541631  0.25000000  0.71559281  1.0
  Er  Er4  1  0.69295209  0.56522506  0.05903396  1.0
  Er  Er5  1  0.19295209  0.93477494  0.44096604  1.0
  Er  Er6  1  0.30704791  0.06522506  0.94096604  1.0
  Er  Er7  1  0.80704791  0.43477494  0.55903396  1.0
  Er  Er8  1  0.30704791  0.43477494  0.94096604  1.0
  Er  Er9  1  0.80704791  0.06522506  0.55903396  1.0
  Er  Er10  1  0.69295209  0.93477494  0.05903396  1.0
  Er  Er11  1  0.19295209  0.56522506  0.44096604  1.0
  Er  Er12  1  0.47661624  0.25000000  0.48858928  1.0
  Er  Er13  1  0.97661624  0.25000000  0.01141072  1.0
  Er  Er14  1  0.52338376  0.75000000  0.51141072  1.0
  Er  Er15  1  0.02338376  0.75000000  0.98858928  1.0
  Er  Er16  1  0.31448477  0.25000000  0.21740185  1.0
  Er  Er17  1  0.81448477  0.25000000  0.28259815  1.0
  Er  Er18  1  0.68551523  0.75000000  0.78259815  1.0
  Er  Er19  1  0.18551523  0.75000000  0.71740185  1.0
  Bi  Bi20  1  0.40586170  0.75000000  0.95783216  1.0
  Bi  Bi21  1  0.90586170  0.75000000  0.54216784  1.0
  Bi  Bi22  1  0.59413830  0.25000000  0.04216784  1.0
  Bi  Bi23  1  0.09413830  0.25000000  0.45783216  1.0
  Bi  Bi24  1  0.56567037  0.99586871  0.32566118  1.0
  Bi  Bi25  1  0.06567037  0.50413129  0.17433782  1.0
  Bi  Bi26  1  0.43432963  0.49586871  0.67433882  1.0
  Bi  Bi27  1  0.93432963  0.00413129  0.82566118  1.0
  Bi  Bi28  1  0.43432963  0.00413129  0.67433882  1.0
  Bi  Bi29  1  0.93432963  0.49586871  0.82566118  1.0
  Bi  Bi30  1  0.56567037  0.50413129  0.32566118  1.0
  Bi  Bi31  1  0.06567037  0.99586871  0.17433782  1.0

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