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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200713

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-1200713
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 104
  • Number of elements: 4
  • Element list: ['Zr', 'Hg', 'P', 'Cl']
  • Chemical System: Cl-Hg-P-Zr
  • Density: 5.177212848669309
  • Atomic Density: 0.03469402302870019
  • Unit Cell Volume: 2997.634489201996
  • Molar Volume: 17.35786234712031
  • Full Formula: Zr8 Hg32 P16 Cl48
  • Reduced Formula: ZrHg4(PCl3)2
  • Formula Anonymous: AB2C4D6
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -376.61070239
  • Final energy per atom: -3.6212567537499996
  • 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.