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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205881

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-1205881
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 11
  • Number of elements: 4
  • Element list: ['La', 'Nb', 'H', 'O']
  • Chemical System: H-La-Nb-O
  • Density: 4.387436115155852
  • Atomic Density: 0.06639816058836981
  • Unit Cell Volume: 165.66723991337105
  • Molar Volume: 9.069740346172825
  • Full Formula: La1 Nb2 H1 O7
  • Reduced Formula: LaNb2HO7
  • Formula Anonymous: ABC2D7
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -90.81821724
  • Final energy per atom: -8.256201567272727
  • 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.