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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222197

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-1222197
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 4
  • Element list: ['Mg', 'Ta', 'Ni', 'O']
  • Chemical System: Mg-Ni-O-Ta
  • Density: 6.759397524444595
  • Atomic Density: 0.09087696368330964
  • Unit Cell Volume: 330.11666305825054
  • Molar Volume: 6.626696707194257
  • Full Formula: Mg4 Ta4 Ni4 O18
  • Reduced Formula: Mg2Ta2Ni2O9
  • Formula Anonymous: A2B2C2D9
  • Spacegroup Number: 165
  • Spacegroup Symbol: P-3c1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -247.88725549
  • Final energy per atom: -8.262908516333333
  • 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.