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  1. Third-Parties
  2. MatprojStructure
  3. mp-707201

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-707201
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 4
  • Element list: ['Cu', 'H', 'S', 'O']
  • Chemical System: Cu-H-O-S
  • Density: 3.0465976508664037
  • Atomic Density: 0.10144349196214815
  • Unit Cell Volume: 532.316060454121
  • Molar Volume: 5.9364486015988644
  • Full Formula: Cu8 H20 S2 O24
  • Reduced Formula: Cu4H10SO12
  • Formula Anonymous: AB4C10D12
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -291.40366362
  • Final energy per atom: -5.3963641411111105
  • 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.