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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200316

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-1200316
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 207
  • Number of elements: 7
  • Element list: ['Sn', 'Hg', 'B', 'H', 'C', 'N', 'Cl']
  • Chemical System: B-C-Cl-H-Hg-N-Sn
  • Density: 1.0811891857090015
  • Atomic Density: 0.07713504654154345
  • Unit Cell Volume: 2683.605044414069
  • Molar Volume: 7.8072692375398915
  • Full Formula: Sn4 Hg1 B44 H124 C24 N8 Cl2
  • Reduced Formula: Sn4HgB44H124C24(N4Cl)2
  • Formula Anonymous: AB2C4D8E24F44G124
  • Spacegroup Number: 121
  • Spacegroup Symbol: I-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -1058.6891647900002
  • Final energy per atom: -5.114440409613527
  • 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.