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  1. Third-Parties
  2. MatprojStructure
  3. mp-24051

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-24051
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Er', 'H', 'Cl']
  • Chemical System: Cl-Er-H
  • Density: 6.090895904235575
  • Atomic Density: 0.05401567343259087
  • Unit Cell Volume: 111.07887060757892
  • Molar Volume: 11.148876571011115
  • Full Formula: Er2 H2 Cl2
  • Reduced Formula: ErHCl
  • Formula Anonymous: ABC
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -29.28291778
  • Final energy per atom: -4.880486296666667
  • 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.