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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217517

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-1217517
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 31
  • Number of elements: 4
  • Element list: ['Te', 'Mo', 'Cl', 'O']
  • Chemical System: Cl-Mo-O-Te
  • Density: 4.371740875410241
  • Atomic Density: 0.03183941382225043
  • Unit Cell Volume: 973.6360151937275
  • Molar Volume: 18.914106879039117
  • Full Formula: Te15 Mo2 Cl12 O2
  • Reduced Formula: Te15Mo2(Cl6O)2
  • Formula Anonymous: A2B2C12D15
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -122.89815756
  • Final energy per atom: -3.964456695483871
  • 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.