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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219125

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-1219125
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 29
  • Number of elements: 4
  • Element list: ['Sm', 'Ti', 'Se', 'O']
  • Chemical System: O-Se-Sm-Ti
  • Density: 6.2847947906584976
  • Atomic Density: 0.047981968813439205
  • Unit Cell Volume: 604.3937069934785
  • Molar Volume: 12.55084130335491
  • Full Formula: Sm7 Ti4 Se12 O6
  • Reduced Formula: Sm7Ti4(Se2O)6
  • Formula Anonymous: A4B6C7D12
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -208.96220128
  • Final energy per atom: -7.205593147586207
  • 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.