Ag(H7O4)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-777775 · Space group: P2_1/c (#14)

Materials Project API

Basic Information

Formula

Ag(H7O4)2

MP-ID

mp-777775

Elements

Sites

Density

2.0608

g/cm³

Volume

805.67

Å³

Cell a

16.7770

Cell b

6.8346

Cell c

7.0364

α Angle

86.94

β Angle

90.00

γ Angle

90.00

Space Group

P2_1/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
10.55	8.3885	100.0	(2,0,0)
12.60	7.0264	85.9	(0,0,1)
13.66	6.4809	8.0	(1,0,1)
16.46	5.3864	74.5	(2,0,1)
20.30	4.3756	6.4	(3,0,1)
20.53	4.3256	1.8	(3,1,0)
21.18	4.1943	13.6	(4,0,0)
24.72	3.6014	41.0	(4,0,1)
25.35	3.5132	6.2	(0,0,2)
25.91	3.4386	11.4	(1,0,2)
26.11	3.4125	4.1	(0,2,0)
26.66	3.3440	4.3	(1,2,0)
27.53	3.2405	13.8	(2,0,2)
27.69	3.2217	4.0	(4,1,1)
28.23	3.1609	4.1	(2,2,0)
28.46	3.1360	14.5	(0,2,1)
29.50	3.0279	2.4	(5,0,1)
29.67	3.0112	1.7	(5,1,0)
29.70	3.0084	2.9	(1,1,-2)
29.71	3.0072	15.2	(0,2,-1)
29.94	2.9847	3.8	(2,1,2)
30.19	2.9600	9.3	(1,2,-1)
30.43	2.9375	13.3	(2,2,1)
31.13	2.8730	1.6	(2,1,-2)

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Energy Properties

Formation Energy/atom

-1.13766

eV/atom

Energy/atom

-5.04892

eV/atom

Energy above Hull

0.0695

eV/atom

Uncorrected Energy

-6.0411

eV/atom

Volume/atom

8.76

Å³

c/a Ratio

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

1.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.001240

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

H · 0.609

Element Family

Alkali-AlkEarth

Solute Fraction

0.391

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8058

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.6996

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

64.273%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.6016

smaller = more stable mixing

VEC

2.478

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7335

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.508

Family

H-rich Multi-Component

Matrix Element

H · 0.609

Related Tasks

Related computation task IDs (2)

aaadorxp aaagjccc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-777775

Reference Citation

The crystal structure and related material properties of Ag(H7O4)2 were obtained from the Materials Project database (MP-ID: mp-777775, 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…

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Raw CIF Data

# generated using pymatgen
data_Ag(H7O4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.77699365
_cell_length_b   6.83462806
_cell_length_c   7.03638503
_cell_angle_alpha   86.94188035
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag(H7O4)2
_chemical_formula_sum   'Ag4 H56 O32'
_cell_volume   805.67468169
_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
  Ag  Ag0  1  0.25219526  0.03168418  0.45418271  1.0
  Ag  Ag1  1  0.24780474  0.53168418  0.45418271  1.0
  Ag  Ag2  1  0.75219526  0.46831582  0.54581729  1.0
  Ag  Ag3  1  0.74780474  0.96831582  0.54581729  1.0
  H  H4  1  0.10485844  0.18715423  0.95006019  1.0
  H  H5  1  0.39514156  0.68715423  0.95006019  1.0
  H  H6  1  0.89117117  0.31586625  0.09525745  1.0
  H  H7  1  0.87118361  0.09170855  0.10967420  1.0
  H  H8  1  0.60882883  0.81586625  0.09525745  1.0
  H  H9  1  0.62881639  0.59170855  0.10967420  1.0
  H  H10  1  0.27944256  0.29576259  0.16036078  1.0
  H  H11  1  0.22055744  0.79576259  0.16036078  1.0
  H  H12  1  0.05648682  0.36264826  0.17154063  1.0
  H  H13  1  0.44351318  0.86264826  0.17154063  1.0
  H  H14  1  0.55800406  0.11670567  0.20398656  1.0
  H  H15  1  0.15094051  0.29566014  0.19811073  1.0
  H  H16  1  0.94199594  0.61670567  0.20398656  1.0
  H  H17  1  0.65920053  0.29502903  0.24277554  1.0
  H  H18  1  0.34905949  0.79566014  0.19811073  1.0
  H  H19  1  0.84079947  0.79502903  0.24277554  1.0
  H  H20  1  0.77938649  0.23281049  0.25644335  1.0
  H  H21  1  0.72061351  0.73281049  0.25644335  1.0
  H  H22  1  0.45121727  0.08649142  0.35073058  1.0
  H  H23  1  0.08310373  0.09812775  0.35075554  1.0
  H  H24  1  0.94249708  0.43705617  0.35161150  1.0
  H  H25  1  0.04878273  0.58649142  0.35073058  1.0
  H  H26  1  0.41689627  0.59812775  0.35075554  1.0
  H  H27  1  0.55750292  0.93705617  0.35161150  1.0
  H  H28  1  0.57549425  0.44016833  0.42363429  1.0
  H  H29  1  0.92450575  0.94016833  0.42363429  1.0
  H  H30  1  0.41028652  0.27081750  0.43777445  1.0
  H  H31  1  0.08971348  0.77081750  0.43777445  1.0
  H  H32  1  0.91028652  0.22918250  0.56222555  1.0
  H  H33  1  0.58971348  0.72918250  0.56222555  1.0
  H  H34  1  0.07549425  0.05983167  0.57636571  1.0
  H  H35  1  0.42450575  0.55983167  0.57636571  1.0
  H  H36  1  0.44249708  0.06294383  0.64838850  1.0
  H  H37  1  0.58310373  0.40187225  0.64924446  1.0
  H  H38  1  0.95121727  0.41350858  0.64926942  1.0
  H  H39  1  0.05750292  0.56294383  0.64838850  1.0
  H  H40  1  0.91689627  0.90187225  0.64924446  1.0
  H  H41  1  0.54878273  0.91350858  0.64926942  1.0
  H  H42  1  0.27938649  0.26718951  0.74355665  1.0
  H  H43  1  0.22061351  0.76718951  0.74355665  1.0
  H  H44  1  0.15920053  0.20497097  0.75722446  1.0
  H  H45  1  0.65094051  0.20433986  0.80188927  1.0
  H  H46  1  0.34079947  0.70497097  0.75722446  1.0
  H  H47  1  0.05800406  0.38329433  0.79601344  1.0
  H  H48  1  0.84905949  0.70433986  0.80188927  1.0
  H  H49  1  0.44199594  0.88329433  0.79601344  1.0
  H  H50  1  0.55648682  0.13735174  0.82845937  1.0
  H  H51  1  0.94351318  0.63735174  0.82845937  1.0
  H  H52  1  0.77944256  0.20423741  0.83963922  1.0
  H  H53  1  0.72055744  0.70423741  0.83963922  1.0
  H  H54  1  0.37118361  0.40829145  0.89032580  1.0
  H  H55  1  0.39117117  0.18413375  0.90474255  1.0
  H  H56  1  0.12881639  0.90829145  0.89032580  1.0
  H  H57  1  0.10882883  0.68413375  0.90474255  1.0
  H  H58  1  0.60485844  0.31284577  0.04993981  1.0
  H  H59  1  0.89514156  0.81284577  0.04993981  1.0
  O  O60  1  0.84990988  0.22078997  0.06669459  1.0
  O  O61  1  0.65009012  0.72078997  0.06669459  1.0
  O  O62  1  0.09496404  0.25601663  0.16276701  1.0
  O  O63  1  0.60706393  0.34466598  0.18688734  1.0
  O  O64  1  0.40503596  0.75601663  0.16276701  1.0
  O  O65  1  0.89293607  0.84466598  0.18688734  1.0
  O  O66  1  0.53603785  0.98335858  0.22286610  1.0
  O  O67  1  0.96396215  0.48335858  0.22286610  1.0
  O  O68  1  0.24111142  0.29372829  0.26533092  1.0
  O  O69  1  0.25888858  0.79372829  0.26533092  1.0
  O  O70  1  0.73888782  0.23077191  0.35820458  1.0
  O  O71  1  0.76111218  0.73077191  0.35820458  1.0
  O  O72  1  0.41115366  0.12463877  0.44236369  1.0
  O  O73  1  0.08884634  0.62463877  0.44236369  1.0
  O  O74  1  0.41015343  0.50096221  0.45848654  1.0
  O  O75  1  0.08984657  0.00096221  0.45848654  1.0
  O  O76  1  0.91015343  0.99903779  0.54151346  1.0
  O  O77  1  0.58984657  0.49903779  0.54151346  1.0
  O  O78  1  0.91115366  0.37536123  0.55763631  1.0
  O  O79  1  0.58884634  0.87536123  0.55763631  1.0
  O  O80  1  0.23888782  0.26922809  0.64179542  1.0
  O  O81  1  0.26111218  0.76922809  0.64179542  1.0
  O  O82  1  0.74111142  0.20627171  0.73466908  1.0
  O  O83  1  0.75888858  0.70627171  0.73466908  1.0
  O  O84  1  0.03603785  0.51664142  0.77713390  1.0
  O  O85  1  0.46396215  0.01664142  0.77713390  1.0
  O  O86  1  0.10706393  0.15533402  0.81311266  1.0
  O  O87  1  0.59496404  0.24398337  0.83723299  1.0
  O  O88  1  0.39293607  0.65533402  0.81311266  1.0
  O  O89  1  0.90503596  0.74398337  0.83723299  1.0
  O  O90  1  0.34990988  0.27921003  0.93330541  1.0
  O  O91  1  0.15009012  0.77921003  0.93330541  1.0

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