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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215056

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-1215056
  • 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: 108
  • Number of elements: 4
  • Element list: ['Ba', 'Mn', 'S', 'O']
  • Chemical System: Ba-Mn-O-S
  • Density: 3.3265098634804877
  • Atomic Density: 0.07296467203673875
  • Unit Cell Volume: 1480.168374437707
  • Molar Volume: 8.253502129040978
  • Full Formula: Ba3 Mn15 S18 O72
  • Reduced Formula: BaMn5(SO4)6
  • Formula Anonymous: AB5C6D24
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -806.9732098200001
  • Final energy per atom: -7.471974165000001
  • 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.