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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203085

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-1203085
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 256
  • Number of elements: 4
  • Element list: ['Na', 'Y', 'Si', 'O']
  • Chemical System: Na-O-Si-Y
  • Density: 2.856808429546861
  • Atomic Density: 0.07128902381007206
  • Unit Cell Volume: 3591.0156475425197
  • Molar Volume: 8.447500664399845
  • Full Formula: Na48 Y16 Si48 O144
  • Reduced Formula: Na3Y(SiO3)3
  • Formula Anonymous: AB3C3D9
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -1935.06790365
  • Final energy per atom: -7.558858998632813
  • 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.