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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227399

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-1227399
  • 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: 40
  • Number of elements: 5
  • Element list: ['Ca', 'Mg', 'Fe', 'Si', 'O']
  • Chemical System: Ca-Fe-Mg-O-Si
  • Density: 3.3314508561249103
  • Atomic Density: 0.08635688470551822
  • Unit Cell Volume: 463.19410590599955
  • Molar Volume: 6.973550262420692
  • Full Formula: Ca4 Mg2 Fe2 Si8 O24
  • Reduced Formula: Ca2MgFe(SiO3)4
  • Formula Anonymous: ABC2D4E12
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -317.45004275
  • Final energy per atom: -7.936251068750001
  • 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.