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  1. Third-Parties
  2. MatprojStructure
  3. mp-540866

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-540866
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 5
  • Element list: ['Na', 'Mg', 'C', 'S', 'O']
  • Chemical System: C-Mg-Na-O-S
  • Density: 2.4111897698825144
  • Atomic Density: 0.0805697440638719
  • Unit Cell Volume: 719.8732064237455
  • Molar Volume: 7.4744444455798815
  • Full Formula: Na12 Mg4 C8 S2 O32
  • Reduced Formula: Na6Mg2C4SO16
  • Formula Anonymous: AB2C4D6E16
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -392.15541622
  • Final energy per atom: -6.761300279655172
  • 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.