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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201403

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-1201403
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 6
  • Element list: ['Zn', 'H', 'Ru', 'N', 'Cl', 'O']
  • Chemical System: Cl-H-N-O-Ru-Zn
  • Density: 2.174850740117499
  • Atomic Density: 0.0804221449405439
  • Unit Cell Volume: 646.5880764364542
  • Molar Volume: 7.488162326996091
  • Full Formula: Zn2 H26 Ru2 N10 Cl8 O4
  • Reduced Formula: ZnH13RuN5(Cl2O)2
  • Formula Anonymous: ABC2D4E5F13
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -271.1235197
  • Final energy per atom: -5.213913840384615
  • 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.