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  1. Third-Parties
  2. MatprojStructure
  3. mp-1191250

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-1191250
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Yb', 'H', 'Cl', 'O']
  • Chemical System: Cl-H-O-Yb
  • Density: 5.276047106468223
  • Atomic Density: 0.07861136193919083
  • Unit Cell Volume: 305.29937922415087
  • Molar Volume: 7.660649315118567
  • Full Formula: Yb4 H8 Cl4 O8
  • Reduced Formula: YbH2ClO2
  • Formula Anonymous: ABC2D2
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -126.24785375000002
  • Final energy per atom: -5.260327239583334
  • 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.