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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194589

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-1194589
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 5
  • Element list: ['Ge', 'H', 'C', 'S', 'O']
  • Chemical System: C-Ge-H-O-S
  • Density: 2.046185574937891
  • Atomic Density: 0.07970047664784849
  • Unit Cell Volume: 853.1943955674657
  • Molar Volume: 7.555965802574115
  • Full Formula: Ge4 H24 C8 S8 O24
  • Reduced Formula: GeH6C2(SO3)2
  • Formula Anonymous: AB2C2D6E6
  • Spacegroup Number: 92
  • Spacegroup Symbol: P4_12_12
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -393.07047071
  • Final energy per atom: -5.78044809867647
  • 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.