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  1. Third-Parties
  2. MatprojStructure
  3. mp-757220

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-757220
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 4
  • Element list: ['Lu', 'H', 'Cl', 'O']
  • Chemical System: Cl-H-Lu-O
  • Density: 2.9203822551940966
  • Atomic Density: 0.08337188202390079
  • Unit Cell Volume: 599.7225777590837
  • Molar Volume: 7.223227560430496
  • Full Formula: Lu2 H12 Cl6 O30
  • Reduced Formula: LuH6(ClO5)3
  • Formula Anonymous: AB3C6D15
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -264.38560839
  • Final energy per atom: -5.2877121678000005
  • 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.