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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212565

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-1212565
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 6
  • Element list: ['Na', 'Ca', 'Zr', 'Si', 'H', 'O']
  • Chemical System: Ca-H-Na-O-Si-Zr
  • Density: 2.1230606040390945
  • Atomic Density: 0.05556826534900832
  • Unit Cell Volume: 1511.6541693792333
  • Molar Volume: 10.837374033860268
  • Full Formula: Na4 Ca2 Zr4 Si20 H2 O52
  • Reduced Formula: Na2CaZr2Si10HO26
  • Formula Anonymous: ABC2D2E10F26
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -676.23447197
  • Final energy per atom: -8.050410380595238
  • 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.