Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-26425

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-26425
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 4
  • Element list: ['Li', 'Cr', 'P', 'O']
  • Chemical System: Cr-Li-O-P
  • Density: 2.745500999449599
  • Atomic Density: 0.08024998440920807
  • Unit Cell Volume: 647.9752037688047
  • Molar Volume: 7.504226704010432
  • Full Formula: Li6 Cr4 P10 O32
  • Reduced Formula: Li3Cr2P5O16
  • Formula Anonymous: A2B3C5D16
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -398.02830474
  • Final energy per atom: -7.654390475769231
  • 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.