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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173190

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-1173190
  • 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: 32
  • Number of elements: 3
  • Element list: ['Sr', 'Th', 'Cl']
  • Chemical System: Cl-Sr-Th
  • Density: 3.4008812977909675
  • Atomic Density: 0.0363981200907467
  • Unit Cell Volume: 879.1662844184963
  • Molar Volume: 16.545197238169937
  • Full Formula: Sr9 Th1 Cl22
  • Reduced Formula: Sr9ThCl22
  • Formula Anonymous: AB9C22
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -151.12544335
  • Final energy per atom: -4.7226701046875
  • 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.