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  1. Third-Parties
  2. MatprojStructure
  3. mp-1019509

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-1019509
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 3
  • Element list: ['B', 'S', 'O']
  • Chemical System: B-O-S
  • Density: 2.568795527668781
  • Atomic Density: 0.08753358149201602
  • Unit Cell Volume: 148.51443044388324
  • Molar Volume: 6.879806192494571
  • Full Formula: B2 S2 O9
  • Reduced Formula: B2S2O9
  • Formula Anonymous: A2B2C9
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -93.31970945
  • Final energy per atom: -7.178439188461539
  • 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.