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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221526

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-1221526
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 5
  • Element list: ['Na', 'Ca', 'Mn', 'Si', 'O']
  • Chemical System: Ca-Mn-Na-O-Si
  • Density: 3.3097671879727817
  • Atomic Density: 0.08453189172245643
  • Unit Cell Volume: 354.8956422092032
  • Molar Volume: 7.124105041648064
  • Full Formula: Na2 Ca1 Mn3 Si6 O18
  • Reduced Formula: Na2CaMn3(SiO3)6
  • Formula Anonymous: AB2C3D6E18
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -239.41380953
  • Final energy per atom: -7.980460317666667
  • 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.