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  1. Third-Parties
  2. MatprojStructure
  3. mp-686765

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-686765
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 5
  • Element list: ['Y', 'Ti', 'Cd', 'O', 'F']
  • Chemical System: Cd-F-O-Ti-Y
  • Density: 5.115235582750785
  • Atomic Density: 0.08223636220508107
  • Unit Cell Volume: 267.5215611451342
  • Molar Volume: 7.322965897958841
  • Full Formula: Y2 Ti4 Cd2 O12 F2
  • Reduced Formula: YTi2CdO6F
  • Formula Anonymous: ABCD2E6
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -179.63232476999997
  • Final energy per atom: -8.165105671363635
  • 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.