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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198280

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-1198280
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 392
  • Number of elements: 5
  • Element list: ['Li', 'H', 'Pt', 'C', 'O']
  • Chemical System: C-H-Li-O-Pt
  • Density: 1.3825669206516862
  • Atomic Density: 0.09775422948699064
  • Unit Cell Volume: 4010.0566702555643
  • Molar Volume: 6.160491256085693
  • Full Formula: Li16 H256 Pt8 C96 O16
  • Reduced Formula: Li2H32Pt(C6O)2
  • Formula Anonymous: AB2C2D12E32
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -2012.48226058
  • Final energy per atom: -5.133883317806123
  • 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.