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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200281

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-1200281
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 128
  • Number of elements: 4
  • Element list: ['H', 'C', 'Se', 'N']
  • Chemical System: C-H-N-Se
  • Density: 1.61330545271254
  • Atomic Density: 0.09359670930631395
  • Unit Cell Volume: 1367.5694471383006
  • Molar Volume: 6.4341372732361135
  • Full Formula: H72 C24 Se8 N24
  • Reduced Formula: H9C3SeN3
  • Formula Anonymous: AB3C3D9
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -700.43384501
  • Final energy per atom: -5.472139414140625
  • 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.