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  1. Third-Parties
  2. MatprojStructure
  3. mp-849764

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-849764
  • 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: 184
  • Number of elements: 5
  • Element list: ['H', 'Pt', 'Br', 'N', 'O']
  • Chemical System: Br-H-N-O-Pt
  • Density: 3.2450143087104166
  • Atomic Density: 0.09210625834290882
  • Unit Cell Volume: 1997.6927009126084
  • Molar Volume: 6.538253608761038
  • Full Formula: H112 Pt8 Br20 N36 O8
  • Reduced Formula: H28Pt2Br5N9O2
  • Formula Anonymous: A2B2C5D9E28
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -915.51852294
  • Final energy per atom: -4.975644146413043
  • 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.