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  1. Third-Parties
  2. MatprojStructure
  3. mp-865018

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-865018
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Cu', 'Bi', 'Pt', 'S']
  • Chemical System: Bi-Cu-Pt-S
  • Density: 7.639323041265895
  • Atomic Density: 0.04895846547214292
  • Unit Cell Volume: 490.2114428740798
  • Molar Volume: 12.300509629793364
  • Full Formula: Cu4 Bi4 Pt4 S12
  • Reduced Formula: CuBiPtS3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -120.72544563
  • Final energy per atom: -5.03022690125
  • 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.