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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195048

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-1195048
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 6
  • Element list: ['Na', 'Ca', 'Mn', 'Si', 'H', 'O']
  • Chemical System: Ca-H-Mn-Na-O-Si
  • Density: 3.3447305663529026
  • Atomic Density: 0.08595047158692178
  • Unit Cell Volume: 604.9995891809897
  • Molar Volume: 7.006524395750178
  • Full Formula: Na2 Ca2 Mn6 Si10 H2 O30
  • Reduced Formula: NaCaMn3Si5HO15
  • Formula Anonymous: ABCD3E5F15
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -419.56012364
  • Final energy per atom: -8.068463916153846
  • 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.