Compound	TaCu₃S₄	TaCu₃Se₄	TaCu₃Te₄	TaTl₃S₄	TaTl₃Se₄
Total	123.18	−988.48	−2917.61	−1110.99	−2385.16
Core	8786.1	8785.9	8785.5	8785.8	8785.6
Sphere	108.1	−1000.78	−2917.79	−1116.99	−2387.06
interstitial	15.1	12.38	0.18	6.0	1.9
Ta-s	4.56	4.69	3.32	5.27	5.65
Ta-p	−2955.54	−2946.57	−2896.72	−2806.69	−2868.92
Ta-d	−5002.65	−6101.46	−8085.75	−6399.84	−7577.9
Ta-f	−723.59	−742.18	−732.34	−700.84	−729.18