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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226330

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-1226330
  • 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: 28
  • Number of elements: 4
  • Element list: ['Cr', 'Ga', 'Cu', 'Se']
  • Chemical System: Cr-Cu-Ga-Se
  • Density: 5.380806570296805
  • Atomic Density: 0.04648006813351385
  • Unit Cell Volume: 602.4087555028983
  • Molar Volume: 12.956394002481707
  • Full Formula: Cr8 Ga3 Cu1 Se16
  • Reduced Formula: Cr8Ga3CuSe16
  • Formula Anonymous: AB3C8D16
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -168.64593797
  • Final energy per atom: -6.023069213214286
  • 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.