Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-542143

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-542143
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 4
  • Element list: ['Rb', 'Zn', 'B', 'O']
  • Chemical System: B-O-Rb-Zn
  • Density: 3.814189446118246
  • Atomic Density: 0.07458634907897811
  • Unit Cell Volume: 455.84748978660997
  • Molar Volume: 8.074052201728316
  • Full Formula: Rb2 Zn8 B6 O18
  • Reduced Formula: RbZn4(BO3)3
  • Formula Anonymous: AB3C4D9
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -220.31213198
  • Final energy per atom: -6.479768587647059
  • 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.