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  1. Third-Parties
  2. MatprojStructure
  3. mp-866806

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-866806
  • 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: 32
  • Number of elements: 6
  • Element list: ['Tb', 'Ag', 'H', 'C', 'S', 'O']
  • Chemical System: Ag-C-H-O-S-Tb
  • Density: 3.998598426859642
  • Atomic Density: 0.08216886858649654
  • Unit Cell Volume: 389.4418963103359
  • Molar Volume: 7.328980991944273
  • Full Formula: Tb2 Ag2 H4 C4 S2 O18
  • Reduced Formula: TbAgH2C2SO9
  • Formula Anonymous: ABCD2E2F9
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -224.3523123
  • Final energy per atom: -7.011009759375
  • 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.