Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-773918

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-773918
  • 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: 99
  • Number of elements: 3
  • Element list: ['Zn', 'Bi', 'O']
  • Chemical System: Bi-O-Zn
  • Density: 8.837312124344054
  • Atomic Density: 0.0587593697656981
  • Unit Cell Volume: 1684.837676012535
  • Molar Volume: 10.24881782090784
  • Full Formula: Zn1 Bi38 O60
  • Reduced Formula: Zn(Bi19O30)2
  • Formula Anonymous: AB38C60
  • Spacegroup Number: 143
  • Spacegroup Symbol: P3
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -604.30845043
  • Final energy per atom: -6.1041257619191915
  • 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.