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  1. Third-Parties
  2. MatprojStructure
  3. mp-569905

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-569905
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['Na', 'La', 'Os', 'I']
  • Chemical System: I-La-Na-Os
  • Density: 4.87951670373645
  • Atomic Density: 0.022872204866427576
  • Unit Cell Volume: 874.423787159957
  • Molar Volume: 26.32951565084771
  • Full Formula: Na1 La6 Os1 I12
  • Reduced Formula: NaLa6OsI12
  • Formula Anonymous: ABC6D12
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -92.37978757
  • Final energy per atom: -4.6189893785
  • 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.