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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200201

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-1200201
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 4
  • Element list: ['Hg', 'P', 'Pb', 'Cl']
  • Chemical System: Cl-Hg-P-Pb
  • Density: 6.5015002339460946
  • Atomic Density: 0.03809190956068052
  • Unit Cell Volume: 1785.1559762756394
  • Molar Volume: 15.809500834834004
  • Full Formula: Hg24 P16 Pb4 Cl24
  • Reduced Formula: Hg6P4PbCl6
  • Formula Anonymous: AB4C6D6
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -199.98592993
  • Final energy per atom: -2.9409695577941175
  • 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.