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  1. Third-Parties
  2. MatprojStructure
  3. mp-555524

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-555524
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 5
  • Element list: ['Na', 'Mg', 'C', 'S', 'N']
  • Chemical System: C-Mg-N-Na-S
  • Density: 1.6540984709999145
  • Atomic Density: 0.04929612460948217
  • Unit Cell Volume: 933.1362326025896
  • Molar Volume: 12.216255958671512
  • Full Formula: Na8 Mg2 C12 S12 N12
  • Reduced Formula: Na4MgC6(SN)6
  • Formula Anonymous: AB4C6D6E6
  • Spacegroup Number: 163
  • Spacegroup Symbol: P-31c
  • Crystal System: trigonal
  • Pointgroup: -31m

Thermodynamics:

  • Final energy: -299.89985888
  • Final energy per atom: -6.519562149565218
  • 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.