Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-19251

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-19251
  • 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: 14
  • Number of elements: 4
  • Element list: ['Rb', 'Li', 'Cr', 'O']
  • Chemical System: Cr-Li-O-Rb
  • Density: 2.83332777323116
  • Atomic Density: 0.057311640085211724
  • Unit Cell Volume: 244.27847430617254
  • Molar Volume: 10.507709692212961
  • Full Formula: Rb2 Li2 Cr2 O8
  • Reduced Formula: RbLiCrO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6

Thermodynamics:

  • Final energy: -93.93443714
  • Final energy per atom: -6.709602652857143
  • 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.