Datasets:

foundry-ml
/

wolverton_oxides_v1-1

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Split (1)

train · 4.91k rows

formula stringlengths 4 6	atom a stringclasses 73 values	atom b stringclasses 73 values	lowest distortion stringclasses 4 values	mu_b stringclasses 863 values	vpa float64 6.74 25.2	gap pbe float64 0 6.22	a float64 3.23 6.89	b float64 3.23 7.37	c float64 3.23 13.2	alpha float64 49.4 90	beta float64 30 109	gamma float64 49.4 90	e_form float64 -3.84 1.88	e_hull float64 -0.57 3.93	e_form oxygen float64 -21.79 6.96
ZrTbO3	Zr	Tb	cubic	0.2	15.572	0	4.27	4.27	4.27	90	90	90	-1.963	1.462	-5.312
ZrTcO3	Zr	Tc	cubic	0.131	11.751	0	3.888	3.888	3.888	90	90	90	-1.448	1.242	-0.429
ZrTeO3	Zr	Te	cubic	0.382	14.822	0	4.2	4.2	4.2	90	90	90	-0.83	1.742	-2.209
ZrThO3	Zr	Th	cubic	0.398	18.669	0	4.536	4.536	4.536	90	90	90	-2.21	1.441	0.652
ZrTiO3	Zr	Ti	cubic	0.178	11.325	0	3.84	3.84	3.84	90	90	90	-2.535	0.742	2.821
ZrTlO3	Zr	Tl	orthorhombic	0.001	14.796	0	6.066	6.094	8.007	90	90	90	-2.139	0.386	-2.018
ZrTmO3	Zr	Tm	cubic	0.2	14.496	0	4.169	4.169	4.169	90	90	90	-2.315	1.295	-3.645
ZrUO3	Zr	U	orthorhombic	0.644	14.514	0	6.103	6.358	7.481	90	90	90	-3.052	0.348	-1.56
ZrVO3	Zr	V	cubic	0.543	11.093	0	3.814	3.814	3.814	90	90	90	-2.208	0.876	2.395
ZrWO3	Zr	W	cubic	0.339	12.2	0	3.936	3.936	3.936	90	90	90	-1.637	1.196	0.191
ZrYO3	Zr	Y	cubic	0.2	15.277	0	4.243	4.243	4.243	90	90	90	-2.126	1.422	-4.92
ZrYbO3	Zr	Yb	orthorhombic	0	13.136	4.007	5.558	5.726	8.254	90	90	90	-3.455	0.205	-6.177
ZrZnO3	Zr	Zn	cubic	0.001	10.804	0	3.78	3.78	3.78	90	90	90	-1.63	1.21	-0.762
Zr2O3	Zr	Zr	cubic	0.382	13.915	0	4.113	4.113	4.113	90	90	90	-2.382	0.906	3.218

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