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  1. Third-Parties
  2. MatprojStructure
  3. mp-1246983

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-1246983
  • 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: 18
  • Number of elements: 3
  • Element list: ['Bi', 'Te', 'N']
  • Chemical System: Bi-N-Te
  • Density: 7.925870557527133
  • Atomic Density: 0.034456109232127524
  • Unit Cell Volume: 522.4037304599807
  • Molar Volume: 17.477715546550574
  • Full Formula: Bi8 Te6 N4
  • Reduced Formula: Bi4Te3N2
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -82.90186133
  • Final energy per atom: -4.6056589627777775
  • 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.