Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1222044

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-1222044
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 5
  • Element list: ['Mn', 'Bi', 'W', 'Cl', 'O']
  • Chemical System: Bi-Cl-Mn-O-W
  • Density: 8.429493282155963
  • Atomic Density: 0.062327999772070056
  • Unit Cell Volume: 673.8544499036004
  • Molar Volume: 9.662015116837738
  • Full Formula: Mn1 Bi12 W2 Cl3 O24
  • Reduced Formula: MnBi12W2(ClO8)3
  • Formula Anonymous: AB2C3D12E24
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -281.19664797
  • Final energy per atom: -6.695158285000001
  • 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.