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  1. Third-Parties
  2. MatprojStructure
  3. mp-560214

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-560214
  • 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: 44
  • Number of elements: 4
  • Element list: ['Mo', 'P', 'Cl', 'O']
  • Chemical System: Cl-Mo-O-P
  • Density: 2.097926664701054
  • Atomic Density: 0.03258194570087289
  • Unit Cell Volume: 1350.4411432010095
  • Molar Volume: 18.483060573754084
  • Full Formula: Mo4 P4 Cl32 O4
  • Reduced Formula: MoPCl8O
  • Formula Anonymous: ABCD8
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -203.75125068
  • Final energy per atom: -4.630710242727273
  • 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.