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  1. Third-Parties
  2. MatprojStructure
  3. mp-707055

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-707055
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 192
  • Number of elements: 5
  • Element list: ['Na', 'Ge', 'H', 'S', 'O']
  • Chemical System: Ge-H-Na-O-S
  • Density: 1.9152644971826174
  • Atomic Density: 0.09021485449569872
  • Unit Cell Volume: 2128.2526150851822
  • Molar Volume: 6.675331677542222
  • Full Formula: Na16 Ge8 H96 S16 O56
  • Reduced Formula: Na2GeH12S2O7
  • Formula Anonymous: AB2C2D7E12
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -979.02544849
  • Final energy per atom: -5.099090877552084
  • 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.