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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202119

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-1202119
  • 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: 160
  • Number of elements: 5
  • Element list: ['Yb', 'Cr', 'Mo', 'H', 'O']
  • Chemical System: Cr-H-Mo-O-Yb
  • Density: 2.6193584441880495
  • Atomic Density: 0.08745659977646349
  • Unit Cell Volume: 1829.4788547571632
  • Molar Volume: 6.885861987994519
  • Full Formula: Yb2 Cr2 Mo12 H68 O76
  • Reduced Formula: YbCrMo6(H17O19)2
  • Formula Anonymous: ABC6D34E38
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -1003.98049998
  • Final energy per atom: -6.274878124875
  • 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.