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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225648

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-1225648
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Er', 'Cr', 'Se']
  • Chemical System: Cr-Er-Se
  • Density: 7.167042912002958
  • Atomic Density: 0.04066185996219291
  • Unit Cell Volume: 295.1168493314745
  • Molar Volume: 14.810293394348761
  • Full Formula: Er4 Cr1 Se7
  • Reduced Formula: Er4CrSe7
  • Formula Anonymous: AB4C7
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -74.23162086
  • Final energy per atom: -6.185968405000001
  • 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.