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  1. Third-Parties
  2. MatprojStructure
  3. mp-23012

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-23012
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Bi', 'Pd', 'S']
  • Chemical System: Bi-Pd-S
  • Density: 8.804629964463052
  • Atomic Density: 0.04631667517250082
  • Unit Cell Volume: 302.26694700901356
  • Molar Volume: 13.002100728455291
  • Full Formula: Bi4 Pd6 S4
  • Reduced Formula: Bi2Pd3S2
  • Formula Anonymous: A2B2C3
  • Spacegroup Number: 199
  • Spacegroup Symbol: I2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -70.30044315
  • Final energy per atom: -5.021460225
  • 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.