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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200340

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-1200340
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 144
  • Number of elements: 6
  • Element list: ['Mo', 'H', 'C', 'N', 'Cl', 'O']
  • Chemical System: C-Cl-H-Mo-N-O
  • Density: 1.485206425651182
  • Atomic Density: 0.09315990623976186
  • Unit Cell Volume: 1545.729335851767
  • Molar Volume: 6.4643053037226785
  • Full Formula: Mo4 H80 C28 N4 Cl4 O24
  • Reduced Formula: MoH20C7NClO6
  • Formula Anonymous: ABCD6E7F20
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -805.5073640100001
  • Final energy per atom: -5.593801138958334
  • 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.