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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216114

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-1216114
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 23
  • Number of elements: 4
  • Element list: ['Y', 'Ti', 'Nb', 'O']
  • Chemical System: Nb-O-Ti-Y
  • Density: 5.31448048676495
  • Atomic Density: 0.08391897334790047
  • Unit Cell Volume: 274.07389631245326
  • Molar Volume: 7.1761373140662545
  • Full Formula: Y4 Ti2 Nb2 O15
  • Reduced Formula: Y4Ti2Nb2O15
  • Formula Anonymous: A2B2C4D15
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -218.50576872
  • Final energy per atom: -9.500250813913043
  • 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.