Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1214620

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-1214620
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['Ba', 'Na', 'Ga', 'Sb']
  • Chemical System: Ba-Ga-Na-Sb
  • Density: 5.210885704517697
  • Atomic Density: 0.027812171644918848
  • Unit Cell Volume: 2013.506917581207
  • Molar Volume: 21.652896569478123
  • Full Formula: Ba20 Na4 Ga8 Sb24
  • Reduced Formula: Ba5Na(GaSb3)2
  • Formula Anonymous: AB2C5D6
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -215.75087532
  • Final energy per atom: -3.852694202142857
  • 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.