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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212097

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-1212097
  • 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: 46
  • Number of elements: 4
  • Element list: ['K', 'Gd', 'Nb', 'O']
  • Chemical System: Gd-K-Nb-O
  • Density: 4.84018274007491
  • Atomic Density: 0.0713225291696499
  • Unit Cell Volume: 644.9574985006915
  • Molar Volume: 8.44353226127968
  • Full Formula: K4 Gd2 Nb10 O30
  • Reduced Formula: K2GdNb5O15
  • Formula Anonymous: AB2C5D15
  • Spacegroup Number: 127
  • Spacegroup Symbol: P4/mbm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -423.3196433400001
  • Final energy per atom: -9.202600942173914
  • 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.