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  1. Third-Parties
  2. MatprojStructure
  3. mp-677732

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-677732
  • 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: ['Nd', 'Ti', 'Cd', 'O', 'F']
  • Chemical System: Cd-F-Nd-O-Ti
  • Density: 5.661074934422035
  • Atomic Density: 0.08023626267646812
  • Unit Cell Volume: 274.1902385048676
  • Molar Volume: 7.505510051337657
  • Full Formula: Nd2 Ti4 Cd2 O12 F2
  • Reduced Formula: NdTi2CdO6F
  • Formula Anonymous: ABCD2E6
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -175.81242958
  • Final energy per atom: -7.991474071818183
  • 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.