Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-677813

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-677813
  • 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: 14
  • Number of elements: 4
  • Element list: ['Rb', 'Cu', 'Si', 'O']
  • Chemical System: Cu-O-Rb-Si
  • Density: 3.5269786285982003
  • Atomic Density: 0.05184235695692049
  • Unit Cell Volume: 270.0494503294593
  • Molar Volume: 11.616255728890232
  • Full Formula: Rb4 Cu1 Si2 O7
  • Reduced Formula: Rb4CuSi2O7
  • Formula Anonymous: AB2C4D7
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -61.76984315999999
  • Final energy per atom: -4.412131654285714
  • 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.