Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1235276

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-1235276
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 19
  • Number of elements: 5
  • Element list: ['Rb', 'Ba', 'Li', 'Sb', 'O']
  • Chemical System: Ba-Li-O-Rb-Sb
  • Density: 4.718779039829687
  • Atomic Density: 0.026479267783893787
  • Unit Cell Volume: 717.5424998555621
  • Molar Volume: 22.742852291644606
  • Full Formula: Rb2 Ba8 Li1 Sb6 O2
  • Reduced Formula: Rb2Ba8Li(Sb3O)2
  • Formula Anonymous: AB2C2D6E8
  • Spacegroup Number: 42
  • Spacegroup Symbol: Fmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -78.88104992
  • Final energy per atom: -4.151634206315789
  • 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.