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  1. Third-Parties
  2. MatprojStructure
  3. mp-775689

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-775689
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 108
  • Number of elements: 5
  • Element list: ['Na', 'Bi', 'C', 'S', 'O']
  • Chemical System: Bi-C-Na-O-S
  • Density: 3.6083636448978176
  • Atomic Density: 0.06934981748105729
  • Unit Cell Volume: 1557.322051056586
  • Molar Volume: 8.683715370476543
  • Full Formula: Na16 Bi8 C16 S4 O64
  • Reduced Formula: Na4Bi2C4SO16
  • Formula Anonymous: AB2C4D4E16
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -740.0589595299999
  • Final energy per atom: -6.852397773425925
  • 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.