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  1. Third-Parties
  2. MatprojStructure
  3. mp-732207

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-732207
  • 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: 20
  • Number of elements: 3
  • Element list: ['Be', 'S', 'O']
  • Chemical System: Be-O-S
  • Density: 1.3960648441557937
  • Atomic Density: 0.0497260339332005
  • Unit Cell Volume: 402.20380388403817
  • Molar Volume: 12.110639605985563
  • Full Formula: Be2 S2 O16
  • Reduced Formula: BeSO8
  • Formula Anonymous: ABC8
  • Spacegroup Number: 120
  • Spacegroup Symbol: I-4c2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -107.66831908
  • Final energy per atom: -5.383415954
  • 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.