Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1236120

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-1236120
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 5
  • Element list: ['Rb', 'Li', 'Pu', 'Cl', 'O']
  • Chemical System: Cl-Li-O-Pu-Rb
  • Density: 3.5072464141719393
  • Atomic Density: 0.03545673719714013
  • Unit Cell Volume: 282.03384717549756
  • Molar Volume: 16.984475267751748
  • Full Formula: Rb2 Li1 Pu1 Cl4 O2
  • Reduced Formula: Rb2LiPu(Cl2O)2
  • Formula Anonymous: ABC2D2E4
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -59.77887091
  • Final energy per atom: -5.977887091
  • 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.