Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-849992

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-849992
  • 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: 69
  • Number of elements: 3
  • Element list: ['La', 'Cu', 'O']
  • Chemical System: Cu-La-O
  • Density: 6.957907145269674
  • Atomic Density: 0.07246124499274302
  • Unit Cell Volume: 952.233155901618
  • Molar Volume: 8.310843624896476
  • Full Formula: La20 Cu9 O40
  • Reduced Formula: La20Cu9O40
  • Formula Anonymous: A9B20C40
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -541.6471727200001
  • Final energy per atom: -7.8499590249275375
  • 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.