Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-532705

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-532705
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 79
  • Number of elements: 5
  • Element list: ['Ca', 'Mg', 'Fe', 'Si', 'O']
  • Chemical System: Ca-Fe-Mg-O-Si
  • Density: 3.2138631419168697
  • Atomic Density: 0.08632629750209933
  • Unit Cell Volume: 915.1324948006584
  • Molar Volume: 6.976021136379155
  • Full Formula: Ca8 Mg5 Fe2 Si16 O48
  • Reduced Formula: Ca8Mg5Fe2(SiO3)16
  • Formula Anonymous: A2B5C8D16E48
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -620.48246816
  • Final energy per atom: -7.85420845772152
  • 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.