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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225890

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-1225890
  • Created at: Sept. 4, 2022, 2:42 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', 'Sb', 'As', 'S']
  • Chemical System: As-Cu-S-Sb
  • Density: 4.454159910351259
  • Atomic Density: 0.052411246314564106
  • Unit Cell Volume: 457.91698705189634
  • Molar Volume: 11.490168968423404
  • Full Formula: Cu9 Sb1 As2 S12
  • Reduced Formula: Cu9Sb(AsS6)2
  • Formula Anonymous: AB2C9D12
  • Spacegroup Number: 121
  • Spacegroup Symbol: I-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -110.92919852
  • Final energy per atom: -4.622049938333333
  • 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.