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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198693

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-1198693
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 5
  • Element list: ['La', 'Nb', 'Cu', 'Cl', 'O']
  • Chemical System: Cl-Cu-La-Nb-O
  • Density: 4.821722989393857
  • Atomic Density: 0.06504324427104352
  • Unit Cell Volume: 737.9705692412552
  • Molar Volume: 9.258672176475345
  • Full Formula: La4 Nb8 Cu4 Cl4 O28
  • Reduced Formula: LaNb2CuClO7
  • Formula Anonymous: ABCD2E7
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -398.1317587
  • Final energy per atom: -8.294411639583332
  • 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.