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  1. Third-Parties
  2. MatprojStructure
  3. mp-556986

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-556986
  • 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: 44
  • Number of elements: 4
  • Element list: ['Er', 'B', 'Cl', 'O']
  • Chemical System: B-Cl-Er-O
  • Density: 4.237267569824005
  • Atomic Density: 0.05535854735651557
  • Unit Cell Volume: 794.818543858003
  • Molar Volume: 10.878429885843472
  • Full Formula: Er8 B8 Cl8 O20
  • Reduced Formula: Er2B2Cl2O5
  • Formula Anonymous: A2B2C2D5
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -347.70925752
  • Final energy per atom: -7.902483125454546
  • 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.