SrPd

传统材料 TRA

MP-ID: mp-999143 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

SrPd

MP-ID

mp-999143

Elements

Sites

Density

5.9111

g/cm³

Volume

109.02

Å³

Cell a

4.2523

Cell b

4.5218

Cell c

6.0552

α Angle

90.00

β Angle

69.44

γ Angle

90.00

Space Group

Cmcm

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
15.63	5.6697	26.0	(0,0,1)
22.33	3.9816	14.0	(1,0,1)
29.90	2.9883	100.0	(1,1,1)
31.56	2.8348	18.1	(0,0,2)
31.67	2.8251	34.6	(1,0,2)
37.44	2.4019	39.1	(0,1,2)
37.54	2.3959	91.2	(1,1,2)
39.87	2.2609	33.6	(0,2,0)
42.52	2.1262	27.9	(2,0,1)
43.07	2.1001	3.9	(0,2,1)
45.32	2.0011	1.6	(1,0,3)
45.57	1.9908	3.3	(2,0,2)
46.17	1.9661	3.9	(1,2,1)
48.15	1.8899	1.3	(0,0,3)
51.72	1.7676	8.8	(0,2,2)
51.79	1.7652	16.9	(1,2,2)
52.48	1.7437	12.2	(0,1,3)
53.90	1.7009	7.8	(2,0,3)
57.93	1.5920	21.5	(2,1,3)
59.70	1.5489	20.1	(2,2,1)
61.23	1.5138	18.4	(1,0,4)
61.92	1.4985	1.2	(1,2,3)
62.12	1.4941	2.5	(2,2,2)
64.24	1.4500	1.0	(0,2,3)

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Energy Properties

Formation Energy/atom

-0.60511

eV/atom

Energy/atom

-4.04127

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-19.6349

eV/atom

Volume/atom

27.25

Å³

c/a Ratio

1.4240

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

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sr · 0.500

Element Family

N/A

Solute Fraction

0.500

Interstitial Fraction

0.000

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.624

Family

Binary Alloy

Matrix Element

Sr · 0.500

Related Tasks

Related computation task IDs (5)

aaadmjfg aaadsozt aaaelkri aaaeuhuk aaafohco

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-999143

Reference Citation

The crystal structure and related material properties of SrPd were obtained from the Materials Project database (MP-ID: mp-999143, 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_SrPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25232893
_cell_length_b   4.52183715
_cell_length_c   6.05523753
_cell_angle_alpha   90.00000000
_cell_angle_beta   69.44366547
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrPd
_chemical_formula_sum   'Sr2 Pd2'
_cell_volume   109.01862173
_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
  Sr  Sr0  1  0.13931345  0.75000000  0.72137309  1.0
  Sr  Sr1  1  0.86068655  0.25000000  0.27862691  1.0
  Pd  Pd2  1  0.42940829  0.75000000  0.14118343  1.0
  Pd  Pd3  1  0.57059171  0.25000000  0.85881657  1.0

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