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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173785

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1173785
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 35
  • Number of elements: 5
  • Element list: ['Na', 'Cu', 'H', 'S', 'O']
  • Chemical System: Cu-H-Na-O-S
  • Density: 3.298201391678758
  • Atomic Density: 0.09226584560561278
  • Unit Cell Volume: 379.3386357678475
  • Molar Volume: 6.526944743715281
  • Full Formula: Na2 Cu4 H5 S4 O20
  • Reduced Formula: Na2Cu4H5(SO5)4
  • Formula Anonymous: A2B4C4D5E20
  • Spacegroup Number: 10
  • Spacegroup Symbol: P12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -205.98764118
  • Final energy per atom: -5.885361176571428
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.