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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200735

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-1200735
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 7
  • Element list: ['K', 'Hg', 'H', 'Pt', 'C', 'N', 'O']
  • Chemical System: C-H-Hg-K-N-O-Pt
  • Density: 2.7292714391704997
  • Atomic Density: 0.054292827414454986
  • Unit Cell Volume: 810.420125371577
  • Molar Volume: 11.091963794828372
  • Full Formula: K4 Hg2 H8 Pt2 C12 N12 O4
  • Reduced Formula: K2HgH4PtC6(N3O)2
  • Formula Anonymous: ABC2D2E4F6G6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -291.4072424
  • Final energy per atom: -6.622891872727272
  • 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.