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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202946

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-1202946
  • 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: 60
  • Number of elements: 4
  • Element list: ['Yb', 'P', 'H', 'O']
  • Chemical System: H-O-P-Yb
  • Density: 3.0121753890576564
  • Atomic Density: 0.07122825368778167
  • Unit Cell Volume: 842.3623617532584
  • Molar Volume: 8.454707855673604
  • Full Formula: Yb4 P8 H12 O36
  • Reduced Formula: YbP2(HO3)3
  • Formula Anonymous: AB2C3D9
  • Spacegroup Number: 34
  • Spacegroup Symbol: Pnn2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -387.90367275000006
  • Final energy per atom: -6.465061212500001
  • 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.