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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227621

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-1227621
  • 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: 23
  • Number of elements: 3
  • Element list: ['Ca', 'Bi', 'O']
  • Chemical System: Bi-Ca-O
  • Density: 6.947861030599686
  • Atomic Density: 0.0593238123035867
  • Unit Cell Volume: 387.70266284133305
  • Molar Volume: 10.15130438546665
  • Full Formula: Ca4 Bi6 O13
  • Reduced Formula: Ca4Bi6O13
  • Formula Anonymous: A4B6C13
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -147.17311124000005
  • Final energy per atom: -6.398830923478263
  • 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.