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  1. Third-Parties
  2. MatprojStructure
  3. mp-1232368

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-1232368
  • 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: 32
  • Number of elements: 3
  • Element list: ['Na', 'Al', 'Te']
  • Chemical System: Al-Na-Te
  • Density: 4.056400371679293
  • Atomic Density: 0.032019018033263597
  • Unit Cell Volume: 999.4060394593039
  • Molar Volume: 18.808012018806384
  • Full Formula: Na8 Al8 Te16
  • Reduced Formula: NaAlTe2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -116.2814224
  • Final energy per atom: -3.63379445
  • 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.