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  1. Third-Parties
  2. MatprojStructure
  3. mp-1019523

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-1019523
  • 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: 66
  • Number of elements: 5
  • Element list: ['Ba', 'Na', 'Y', 'Si', 'O']
  • Chemical System: Ba-Na-O-Si-Y
  • Density: 3.972367020371576
  • Atomic Density: 0.0663281923251785
  • Unit Cell Volume: 995.0519935238168
  • Molar Volume: 9.079307831089444
  • Full Formula: Ba6 Na2 Y6 Si12 O40
  • Reduced Formula: Ba3NaY3(Si3O10)2
  • Formula Anonymous: AB3C3D6E20
  • Spacegroup Number: 40
  • Spacegroup Symbol: Ama2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -546.57194829
  • Final energy per atom: -8.281393155909091
  • 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.