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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226392

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-1226392
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['Cr', 'Cu', 'Se', 'S']
  • Chemical System: Cr-Cu-S-Se
  • Density: 4.959822731850372
  • Atomic Density: 0.053667245189461275
  • Unit Cell Volume: 260.86675309261454
  • Molar Volume: 11.221259333770645
  • Full Formula: Cr4 Cu2 Se4 S4
  • Reduced Formula: Cr2Cu(SeS)2
  • Formula Anonymous: AB2C2D2
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -88.94835084
  • Final energy per atom: -6.353453631428572
  • 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.