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  1. Third-Parties
  2. MatprojStructure
  3. mp-729027

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-729027
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 92
  • Number of elements: 6
  • Element list: ['Na', 'Mn', 'Al', 'H', 'S', 'O']
  • Chemical System: Al-H-Mn-Na-O-S
  • Density: 2.161810991510924
  • Atomic Density: 0.10433098335648004
  • Unit Cell Volume: 881.8089990166458
  • Molar Volume: 5.7721499081662415
  • Full Formula: Na1 Mn6 Al3 H42 S2 O38
  • Reduced Formula: NaMn6Al3H42(SO19)2
  • Formula Anonymous: AB2C3D6E38F42
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -557.85975133
  • Final energy per atom: -6.0636929492391305
  • 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.