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  1. Third-Parties
  2. MatprojStructure
  3. mp-30450

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-30450
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Mn', 'Cu', 'Bi']
  • Chemical System: Bi-Cu-Mn
  • Density: 9.507253496114458
  • Atomic Density: 0.050186015040896675
  • Unit Cell Volume: 438.36913494869356
  • Molar Volume: 11.999639252274857
  • Full Formula: Mn6 Cu8 Bi8
  • Reduced Formula: Mn3(CuBi)4
  • Formula Anonymous: A3B4C4
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -115.14208292
  • Final energy per atom: -5.2337310418181815
  • 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.