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  1. Third-Parties
  2. MatprojStructure
  3. mp-866298

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-866298
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 5
  • Element list: ['Ba', 'Na', 'Sc', 'Si', 'O']
  • Chemical System: Ba-Na-O-Sc-Si
  • Density: 3.7427303256925257
  • Atomic Density: 0.07242699281364035
  • Unit Cell Volume: 331.3681690713524
  • Molar Volume: 8.314773989713178
  • Full Formula: Ba2 Na2 Sc2 Si4 O14
  • Reduced Formula: BaNaScSi2O7
  • Formula Anonymous: ABCD2E7
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -190.28857202
  • Final energy per atom: -7.9286905008333335
  • 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.