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  1. Third-Parties
  2. MatprojStructure
  3. mp-861968

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-861968
  • 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: 6
  • Number of elements: 2
  • Element list: ['Er', 'Cl']
  • Chemical System: Cl-Er
  • Density: 4.9167481585326716
  • Atomic Density: 0.037296852395255695
  • Unit Cell Volume: 160.871484178199
  • Molar Volume: 16.146512033187125
  • Full Formula: Er2 Cl4
  • Reduced Formula: ErCl2
  • Formula Anonymous: AB2
  • Spacegroup Number: 136
  • Spacegroup Symbol: P4_2/mnm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -29.98376837
  • Final energy per atom: -4.997294728333333
  • 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.