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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227557

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-1227557
  • 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: 18
  • Number of elements: 5
  • Element list: ['Bi', 'Te', 'Pb', 'Au', 'S']
  • Chemical System: Au-Bi-Pb-S-Te
  • Density: 7.827968319823281
  • Atomic Density: 0.03620849599591215
  • Unit Cell Volume: 497.12089676500665
  • Molar Volume: 16.63184452809055
  • Full Formula: Bi2 Te4 Pb4 Au2 S6
  • Reduced Formula: BiTe2Pb2AuS3
  • Formula Anonymous: ABC2D2E3
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -77.20519072
  • Final energy per atom: -4.289177262222222
  • 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.