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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195058

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-1195058
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 66
  • Number of elements: 5
  • Element list: ['Ba', 'Na', 'Sm', 'Si', 'O']
  • Chemical System: Ba-Na-O-Si-Sm
  • Density: 4.483280143954408
  • Atomic Density: 0.06481859579992444
  • Unit Cell Volume: 1018.226315851121
  • Molar Volume: 9.290760908472226
  • Full Formula: Ba6 Na2 Sm6 Si12 O40
  • Reduced Formula: Ba3NaSm3(Si3O10)2
  • Formula Anonymous: AB3C3D6E20
  • Spacegroup Number: 40
  • Spacegroup Symbol: Ama2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -535.2956375
  • Final energy per atom: -8.110539962121212
  • 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.