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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219757

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-1219757
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 3
  • Element list: ['Rb', 'Mo', 'Cl']
  • Chemical System: Cl-Mo-Rb
  • Density: 2.9599867120144863
  • Atomic Density: 0.03166123695939294
  • Unit Cell Volume: 821.1934370519463
  • Molar Volume: 19.020547958134692
  • Full Formula: Rb6 Mo4 Cl16
  • Reduced Formula: Rb3(MoCl4)2
  • Formula Anonymous: A2B3C8
  • Spacegroup Number: 40
  • Spacegroup Symbol: Ama2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -121.35975246
  • Final energy per atom: -4.667682786923077
  • 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.