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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227548

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-1227548
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 5
  • Element list: ['Ca', 'La', 'Cu', 'Ag', 'O']
  • Chemical System: Ag-Ca-Cu-La-O
  • Density: 6.166866375052227
  • Atomic Density: 0.07774447491294377
  • Unit Cell Volume: 282.9783084217242
  • Molar Volume: 7.746069115192348
  • Full Formula: Ca2 La3 Cu4 Ag1 O12
  • Reduced Formula: Ca2La3Cu4AgO12
  • Formula Anonymous: AB2C3D4E12
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -147.30772836
  • Final energy per atom: -6.695805834545454
  • 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.