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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225791

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-1225791
  • 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: 16
  • Number of elements: 4
  • Element list: ['Cu', 'P', 'Se', 'S']
  • Chemical System: Cu-P-S-Se
  • Density: 4.819283558374248
  • Atomic Density: 0.05233248649616628
  • Unit Cell Volume: 305.7374313978395
  • Molar Volume: 11.507461546741458
  • Full Formula: Cu6 P2 Se4 S4
  • Reduced Formula: Cu3P(SeS)2
  • Formula Anonymous: AB2C2D3
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -72.80813108000001
  • Final energy per atom: -4.550508192500001
  • 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.