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  1. Third-Parties
  2. MatprojStructure
  3. mp-555342

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-555342
  • 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: 32
  • Number of elements: 4
  • Element list: ['Na', 'Ca', 'Si', 'O']
  • Chemical System: Ca-Na-O-Si
  • Density: 2.758938874281041
  • Atomic Density: 0.0746139382420683
  • Unit Cell Volume: 428.87429284570305
  • Molar Volume: 8.071066749569638
  • Full Formula: Na8 Ca4 Si4 O16
  • Reduced Formula: Na2CaSiO4
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -209.04663963
  • Final energy per atom: -6.5327074884375
  • 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.