Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-17971

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-17971
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 33
  • Number of elements: 4
  • Element list: ['Rb', 'Li', 'Pr', 'O']
  • Chemical System: Li-O-Pr-Rb
  • Density: 3.531526279166436
  • Atomic Density: 0.07671665596259708
  • Unit Cell Volume: 430.15430724833766
  • Molar Volume: 7.849847838696295
  • Full Formula: Rb2 Li14 Pr3 O14
  • Reduced Formula: Rb2Li14Pr3O14
  • Formula Anonymous: A2B3C14D14
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -186.7549918
  • Final energy per atom: -5.6592421757575755
  • 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.