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  1. Third-Parties
  2. MatprojStructure
  3. mp-770759

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-770759
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 5
  • Element list: ['Li', 'Bi', 'C', 'S', 'O']
  • Chemical System: Bi-C-Li-O-S
  • Density: 3.5339023867307424
  • Atomic Density: 0.06293083382392964
  • Unit Cell Volume: 349.5901557820204
  • Molar Volume: 9.569459665589342
  • Full Formula: Li2 Bi2 C2 S2 O14
  • Reduced Formula: LiBiCSO7
  • Formula Anonymous: ABCDE7
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -149.54005028999998
  • Final energy per atom: -6.797275013181817
  • 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.