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  1. Third-Parties
  2. MatprojStructure
  3. mp-758573

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-758573
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 45
  • Number of elements: 5
  • Element list: ['H', 'Ru', 'C', 'Cl', 'O']
  • Chemical System: C-Cl-H-O-Ru
  • Density: 2.0868580027855486
  • Atomic Density: 0.0682916877342473
  • Unit Cell Volume: 658.9381737806011
  • Molar Volume: 8.818263188098046
  • Full Formula: H16 Ru3 C6 Cl6 O14
  • Reduced Formula: H16Ru3C6(Cl3O7)2
  • Formula Anonymous: A3B6C6D14E16
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -269.48422814
  • Final energy per atom: -5.988538403111112
  • 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.