SmGe

Traditional Materials TRA

MP-ID: mp-972521 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

SmGe

MP-ID

mp-972521

Elements

Sites

Density

7.6705

g/cm³

Volume

96.55

Å³

Cell a

5.8914

Cell b

5.8914

Cell c

4.0158

α Angle

90.00

β Angle

90.00

γ Angle

43.85

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
16.22	5.4654	1.0	(1,1,0)
21.78	4.0811	5.0	(1,0,0)
27.56	3.2361	20.4	(1,1,1)
31.25	2.8624	100.0	(1,0,1)
31.89	2.8061	35.1	(2,1,0)
32.77	2.7327	30.0	(2,2,0)
39.16	2.3002	53.8	(2,1,1)
39.90	2.2592	15.1	(2,2,1)
41.03	2.1996	26.2	(1,-1,0)
45.16	2.0079	19.9	(0,0,2)
50.15	1.8192	8.0	(2,0,1)
50.67	1.8016	1.1	(1,0,2)
51.96	1.7598	10.5	(3,2,1)
53.48	1.7135	14.9	(3,1,0)
55.38	1.6591	7.7	(3,3,1)
56.34	1.6329	14.0	(2,1,2)
56.91	1.6181	12.4	(2,2,2)
58.57	1.5760	9.7	(3,1,1)
62.65	1.4829	14.9	(1,-1,2)
63.18	1.4716	13.1	(4,3,0)
67.83	1.3817	1.8	(4,3,1)
68.68	1.3666	10.3	(2,-1,1)
69.04	1.3604	3.8	(3,0,0)
71.19	1.3245	7.3	(4,2,1)

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Energy Properties

Formation Energy/atom

-0.86538

eV/atom

Energy/atom

-5.53618

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-22.7701

eV/atom

Volume/atom

24.14

Å³

c/a Ratio

0.6816

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

Sm · 0.500

Element Family

N/A

Solute Fraction

0.500

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.624

Family

Binary Alloy

Matrix Element

Sm · 0.500

Related Tasks

Related computation task IDs (5)

aaadmjld aaadsufe aaaehbui aaaeuifx aaafikcw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-972521

Reference Citation

The crystal structure and related material properties of SmGe were obtained from the Materials Project database (MP-ID: mp-972521, 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_SmGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89140799
_cell_length_b   5.89140799
_cell_length_c   4.01576738
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   43.84530679
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmGe
_chemical_formula_sum   'Sm2 Ge2'
_cell_volume   96.55183172
_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
  Sm  Sm0  1  0.13852668  0.13852668  0.25000100  1.0
  Sm  Sm1  1  0.86147332  0.86147332  0.75000000  1.0
  Ge  Ge2  1  0.41777287  0.41777287  0.25000100  1.0
  Ge  Ge3  1  0.58222713  0.58222713  0.75000000  1.0

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