Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1275109

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-1275109
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 19
  • Number of elements: 4
  • Element list: ['Ca', 'Mn', 'W', 'O']
  • Chemical System: Ca-Mn-O-W
  • Density: 5.548444191327461
  • Atomic Density: 0.08038370224553504
  • Unit Cell Volume: 236.36632139639187
  • Molar Volume: 7.4917434651182715
  • Full Formula: Ca3 Mn2 W2 O12
  • Reduced Formula: Ca3Mn2(WO6)2
  • Formula Anonymous: A2B2C3D12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -158.83636908999998
  • Final energy per atom: -8.359808899473682
  • 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.