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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227094

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-1227094
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Ca', 'U', 'Ti', 'O']
  • Chemical System: Ca-O-Ti-U
  • Density: 6.047238133648599
  • Atomic Density: 0.08245373468983494
  • Unit Cell Volume: 266.8162950138898
  • Molar Volume: 7.303660389251503
  • Full Formula: Ca2 U2 Ti4 O14
  • Reduced Formula: CaUTi2O7
  • Formula Anonymous: ABC2D7
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -205.67499769
  • Final energy per atom: -9.348863531363635
  • 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.