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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211685

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-1211685
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 5
  • Element list: ['K', 'Re', 'H', 'Cl', 'O']
  • Chemical System: Cl-H-K-O-Re
  • Density: 3.168502894700535
  • Atomic Density: 0.03814773707241744
  • Unit Cell Volume: 471.8497447392449
  • Molar Volume: 15.7863643354989
  • Full Formula: K4 Re2 H1 Cl10 O1
  • Reduced Formula: K4Re2HCl10O
  • Formula Anonymous: ABC2D4E10
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -83.72642589999998
  • Final energy per atom: -4.651468105555555
  • 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.