Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-607525

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-607525
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 33
  • Number of elements: 3
  • Element list: ['Ba', 'Cd', 'Bi']
  • Chemical System: Ba-Bi-Cd
  • Density: 7.124941878802686
  • Atomic Density: 0.02653762432028464
  • Unit Cell Volume: 1243.517490553052
  • Molar Volume: 22.692840501916514
  • Full Formula: Ba11 Cd8 Bi14
  • Reduced Formula: Ba11(Cd4Bi7)2
  • Formula Anonymous: A8B11C14
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -104.37508762
  • Final energy per atom: -3.162881443030303
  • 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.