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  1. Third-Parties
  2. MatprojStructure
  3. mp-1105683

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-1105683
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 5
  • Element list: ['Li', 'B', 'C', 'O', 'F']
  • Chemical System: B-C-F-Li-O
  • Density: 1.955001120145764
  • Atomic Density: 0.08189101740056919
  • Unit Cell Volume: 244.2270304466994
  • Molar Volume: 7.353847773734146
  • Full Formula: Li2 B2 C4 O8 F4
  • Reduced Formula: LiBC2(O2F)2
  • Formula Anonymous: ABC2D2E4
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -146.67611746999998
  • Final energy per atom: -7.333805873499999
  • 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.