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  1. Third-Parties
  2. MatprojStructure
  3. mp-1235591

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-1235591
  • 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: 6
  • Number of elements: 4
  • Element list: ['Li', 'Yb', 'Nb', 'O']
  • Chemical System: Li-Nb-O-Yb
  • Density: 7.022735126093319
  • Atomic Density: 0.07907846678086095
  • Unit Cell Volume: 75.87400520329963
  • Molar Volume: 7.615398989320713
  • Full Formula: Li1 Yb1 Nb1 O3
  • Reduced Formula: LiYbNbO3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -41.32617468
  • Final energy per atom: -6.8876957800000005
  • 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.