Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-558800

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-558800
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 4
  • Element list: ['Ca', 'Mn', 'Si', 'O']
  • Chemical System: Ca-Mn-O-Si
  • Density: 3.473854945880463
  • Atomic Density: 0.08168717923457432
  • Unit Cell Volume: 612.091156390884
  • Molar Volume: 7.372198203474152
  • Full Formula: Ca2 Mn8 Si10 O30
  • Reduced Formula: CaMn4(SiO3)5
  • Formula Anonymous: AB4C5D15
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -426.35720398
  • Final energy per atom: -8.5271440796
  • 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.