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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197527

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-1197527
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 236
  • Number of elements: 4
  • Element list: ['Na', 'Th', 'Be', 'F']
  • Chemical System: Be-F-Na-Th
  • Density: 6.391942135552322
  • Atomic Density: 0.06980924474845768
  • Unit Cell Volume: 3380.6410719722626
  • Molar Volume: 8.626566268836548
  • Full Formula: Na12 Th40 Be4 F180
  • Reduced Formula: Na3Th10BeF45
  • Formula Anonymous: AB3C10D45
  • Spacegroup Number: 138
  • Spacegroup Symbol: P4_2/ncm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -1686.07455801
  • Final energy per atom: -7.144383720381356
  • 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.