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  1. Third-Parties
  2. MatprojStructure
  3. mp-1182077

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-1182077
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 2
  • Element list: ['Bi', 'Se']
  • Chemical System: Bi-Se
  • Density: 9.026739570164443
  • Atomic Density: 0.03281828592051969
  • Unit Cell Volume: 365.64980965373877
  • Molar Volume: 18.34995518835018
  • Full Formula: Bi8 Se4
  • Reduced Formula: Bi2Se
  • Formula Anonymous: AB2
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -47.83186706
  • Final energy per atom: -3.985988921666667
  • 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.