SrCo2H2(SeO3)4

High-Entropy Materials HEA

MP-ID: mp-735600 · Space group: P2/c (#13)

Materials Project API

Basic Information

Formula

SrCo2H2(SeO3)4

MP-ID

mp-735600

Elements

Sites

Density

4.1690

g/cm³

Volume

1,139.70

Å³

Cell a

5.3803

Cell b

14.0532

Cell c

19.8426

α Angle

49.43

β Angle

90.00

γ Angle

90.00

Space Group

P2/c

Point Group

2/m

Crystal System

Monoclinic

Bravais Lattice

Monoclinic P

Stability

Packing Fraction

0.5240

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
12.63	7.0063	1.4	(0,2,2)
16.48	5.3803	7.6	(1,0,0)
16.61	5.3378	1.9	(0,2,0)
17.93	4.9474	21.8	(0,2,4)
20.28	4.3790	2.5	(1,0,2)
20.82	4.2672	2.3	(1,2,2)
21.38	4.1566	2.1	(1,2,1)
21.53	4.1281	13.4	(1,1,3)
21.91	4.0569	1.1	(1,2,3)
23.48	3.7893	5.9	(1,2,0)
23.61	3.7684	5.1	(0,0,4)
24.24	3.6722	9.6	(1,0,3)
24.44	3.6418	93.2	(1,2,4)
24.72	3.6016	1.1	(1,1,-2)
25.25	3.5271	4.7	(1,3,3)
25.43	3.5031	22.7	(0,4,4)
25.98	3.4293	2.2	(0,2,-2)
26.28	3.3914	1.4	(1,3,4)
27.24	3.2733	61.0	(0,4,2)
27.29	3.2674	2.4	(1,3,1)
27.72	3.2183	19.6	(0,2,6)
28.55	3.1265	6.7	(1,3,5)
28.91	3.0883	14.7	(0,4,6)
29.24	3.0545	22.0	(1,1,-3)

Get direct link

Energy Properties

Formation Energy/atom

-1.37903

eV/atom

Energy/atom

-5.95564

eV/atom

Energy above Hull

0.1608

eV/atom

Uncorrected Energy

-5.4071

eV/atom

Volume/atom

13.57

Å³

c/a Ratio

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.1660

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.001020

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.571

Element Family

Metalloid-Nonmetal

Solute Fraction

0.429

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2285

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.2137

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

50.444%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.7187

smaller = more stable mixing

VEC

4.095

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7633

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaaczpfr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-735600

Reference Citation

The crystal structure and related material properties of SrCo2H2(SeO3)4 were obtained from the Materials Project database (MP-ID: mp-735600, 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

BibTeX

@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

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_SrCo2H2(SeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38026100
_cell_length_b   14.05317000
_cell_length_c   19.84257650
_cell_angle_alpha   49.43375535
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCo2H2(SeO3)4
_chemical_formula_sum   'Sr4 Co8 H8 Se16 O48'
_cell_volume   1139.70345420
_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
  Sr  Sr0  1  0.45915400  0.50000000  0.75000000  1.0
  Sr  Sr1  1  0.54084600  0.50000000  0.25000000  1.0
  Sr  Sr2  1  0.67148100  0.00000000  0.75000000  1.0
  Sr  Sr3  1  0.32851900  0.00000000  0.25000000  1.0
  Co  Co4  1  0.04705700  0.24768000  0.25485500  1.0
  Co  Co5  1  0.95294300  0.75232000  0.74514500  1.0
  Co  Co6  1  0.04705700  0.75232000  0.24514500  1.0
  Co  Co7  1  0.95294300  0.24768000  0.75485500  1.0
  Co  Co8  1  0.40556000  0.74975400  0.49658300  1.0
  Co  Co9  1  0.59444000  0.25024600  0.50341700  1.0
  Co  Co10  1  0.40556000  0.25024600  0.00341700  1.0
  Co  Co11  1  0.59444000  0.74975400  0.99658300  1.0
  H  H12  1  0.77603700  0.74833100  0.61803400  1.0
  H  H13  1  0.22396300  0.25166900  0.38196600  1.0
  H  H14  1  0.77603700  0.25166900  0.88196600  1.0
  H  H15  1  0.22396300  0.74833100  0.11803400  1.0
  H  H16  1  0.11520900  0.24319700  0.62932800  1.0
  H  H17  1  0.88479100  0.75680300  0.37067200  1.0
  H  H18  1  0.11520900  0.75680300  0.87067200  1.0
  H  H19  1  0.88479100  0.24319700  0.12932800  1.0
  Se  Se20  1  0.91879400  0.56629800  0.59189400  1.0
  Se  Se21  1  0.08120600  0.43370200  0.40810600  1.0
  Se  Se22  1  0.91879400  0.43370200  0.90810600  1.0
  Se  Se23  1  0.08120600  0.56629800  0.09189400  1.0
  Se  Se24  1  0.10484200  0.07517900  0.58972800  1.0
  Se  Se25  1  0.89515800  0.92482100  0.41027200  1.0
  Se  Se26  1  0.10484200  0.92482100  0.91027200  1.0
  Se  Se27  1  0.89515800  0.07517900  0.08972800  1.0
  Se  Se28  1  0.42554300  0.85329100  0.61535600  1.0
  Se  Se29  1  0.57445700  0.14670900  0.38464400  1.0
  Se  Se30  1  0.42554300  0.14670900  0.88464400  1.0
  Se  Se31  1  0.57445700  0.85329100  0.11535600  1.0
  Se  Se32  1  0.47937200  0.35277200  0.62151200  1.0
  Se  Se33  1  0.52062800  0.64722800  0.37848800  1.0
  Se  Se34  1  0.47937200  0.64722800  0.87848800  1.0
  Se  Se35  1  0.52062800  0.35277200  0.12151200  1.0
  O  O36  1  0.20522300  0.60246000  0.60920700  1.0
  O  O37  1  0.79477700  0.39754000  0.39079300  1.0
  O  O38  1  0.20522300  0.39754000  0.89079300  1.0
  O  O39  1  0.79477700  0.60246000  0.10920700  1.0
  O  O40  1  0.84245600  0.43033700  0.69789600  1.0
  O  O41  1  0.15754400  0.56966300  0.30210400  1.0
  O  O42  1  0.84245600  0.56966300  0.80210400  1.0
  O  O43  1  0.15754400  0.43033700  0.19789600  1.0
  O  O44  1  0.71769300  0.66788900  0.58865500  1.0
  O  O45  1  0.28230700  0.33211100  0.41134500  1.0
  O  O46  1  0.71769300  0.33211100  0.91134500  1.0
  O  O47  1  0.28230700  0.66788900  0.08865500  1.0
  O  O48  1  0.38258400  0.10995500  0.61440400  1.0
  O  O49  1  0.61741600  0.89004500  0.38559600  1.0
  O  O50  1  0.38258400  0.89004500  0.88559600  1.0
  O  O51  1  0.61741600  0.10995500  0.11440400  1.0
  O  O52  1  0.02063100  0.93543900  0.69246900  1.0
  O  O53  1  0.97936900  0.06456100  0.30753100  1.0
  O  O54  1  0.02063100  0.06456100  0.80753100  1.0
  O  O55  1  0.97936900  0.93543900  0.19246900  1.0
  O  O56  1  0.90988400  0.17476800  0.58896400  1.0
  O  O57  1  0.09011600  0.82523200  0.41103600  1.0
  O  O58  1  0.90988400  0.82523200  0.91103600  1.0
  O  O59  1  0.09011600  0.17476800  0.08896400  1.0
  O  O60  1  0.36281100  0.86985100  0.52463500  1.0
  O  O61  1  0.63718900  0.13014900  0.47536500  1.0
  O  O62  1  0.36281100  0.13014900  0.97536500  1.0
  O  O63  1  0.63718900  0.86985100  0.02463500  1.0
  O  O64  1  0.28681300  0.71523300  0.70267300  1.0
  O  O65  1  0.71318700  0.28476700  0.29732700  1.0
  O  O66  1  0.28681300  0.28476700  0.79732700  1.0
  O  O67  1  0.71318700  0.71523300  0.20267300  1.0
  O  O68  1  0.75922600  0.80558100  0.63301700  1.0
  O  O69  1  0.24077400  0.19441900  0.36698300  1.0
  O  O70  1  0.75922600  0.19441900  0.86698300  1.0
  O  O71  1  0.24077400  0.80558100  0.13301700  1.0
  O  O72  1  0.53899600  0.36938900  0.53086700  1.0
  O  O73  1  0.46100400  0.63061100  0.46913300  1.0
  O  O74  1  0.53899600  0.63061100  0.96913300  1.0
  O  O75  1  0.46100400  0.36938900  0.03086700  1.0
  O  O76  1  0.62413100  0.21700700  0.70812300  1.0
  O  O77  1  0.37586900  0.78299300  0.29187700  1.0
  O  O78  1  0.62413100  0.78299300  0.79187700  1.0
  O  O79  1  0.37586900  0.21700700  0.20812300  1.0
  O  O80  1  0.14497700  0.30113600  0.64153500  1.0
  O  O81  1  0.85502300  0.69886400  0.35846500  1.0
  O  O82  1  0.14497700  0.69886400  0.85846500  1.0
  O  O83  1  0.85502300  0.30113600  0.14153500  1.0

Get direct link