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  1. Third-Parties
  2. MatprojStructure
  3. mp-1026661

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-1026661
  • 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: 16
  • Number of elements: 3
  • Element list: ['Na', 'Mg', 'Mo']
  • Chemical System: Mg-Mo-Na
  • Density: 2.1553217339349917
  • Atomic Density: 0.0452252870760128
  • Unit Cell Volume: 353.7843767162353
  • Molar Volume: 13.315870720462721
  • Full Formula: Na1 Mg14 Mo1
  • Reduced Formula: NaMg14Mo
  • Formula Anonymous: ABC14
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2

Thermodynamics:

  • Final energy: -32.33747458
  • Final energy per atom: -2.02109216125
  • 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.