Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-556206

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-556206
  • 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: 68
  • Number of elements: 4
  • Element list: ['Rb', 'Y', 'B', 'O']
  • Chemical System: B-O-Rb-Y
  • Density: 3.837690540031044
  • Atomic Density: 0.06434022952658881
  • Unit Cell Volume: 1056.8815265400751
  • Molar Volume: 9.359837234511778
  • Full Formula: Rb12 Y8 B12 O36
  • Reduced Formula: Rb3Y2(BO3)3
  • Formula Anonymous: A2B3C3D9
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -527.35747198
  • Final energy per atom: -7.7552569408823535
  • 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.