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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204914

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-1204914
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 162
  • Number of elements: 6
  • Element list: ['V', 'Sb', 'H', 'C', 'Cl', 'O']
  • Chemical System: C-Cl-H-O-Sb-V
  • Density: 1.8159093368224875
  • Atomic Density: 0.07416007216838409
  • Unit Cell Volume: 2184.4638936188067
  • Molar Volume: 8.120462378092666
  • Full Formula: V12 Sb2 H70 C24 Cl16 O38
  • Reduced Formula: V6SbH35C12Cl8O19
  • Formula Anonymous: AB6C8D12E19F35
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -943.57427801
  • Final energy per atom: -5.824532580308642
  • 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.