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iabd_dataset

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Split (3)

train · 3.21k rows

formula stringclasses 171 values	T float64 0 4.4k	Cp float64 19.7 341
C1K1N1	1,100	66.59
C1K1N1	1,000	66.551
C1K1N1	900	66.511
C1K1N1	895	66.509
C1K1N1	800	66.471
C1K1N1	700	66.431
C1K1N1	600	66.392
C1K1N1	500	66.354
C1K1N1	400	66.316
C1K1N1	300	66.383
C1K1N1	298	66.391
Be1H2O2	298	65.701
Be1H2O2	900	110.399
Be1H2O2	800	107.495
Be1H2O2	700	103.956
Be1H2O2	600	99.387
Be1H2O2	500	92.994
Be1H2O2	400	82.902
Be1H2O2	300	66.053
Cs1	900	37.656
Cs1	800	37.635
Cs1	700	37.614
Cs1	600	37.53
Cs1	500	37.196
Cs1	450	36.777
Cs1	400	36.066
Cs1	350	34.84
Cs1	301.55	32.501
Cs1	300	32.355
Cs1	298	32.195
Al1H4Li1	298	86.4
Al1H4Li1	1,900	123.763
Al1H4Li1	1,800	123.247
Al1H4Li1	1,700	122.717
Al1H4Li1	1,600	122.173
Al1H4Li1	1,500	121.615
Al1H4Li1	1,400	121.043
Al1H4Li1	1,300	120.416
Al1H4Li1	1,200	119.746
Al1H4Li1	1,100	118.847
Al1H4Li1	1,000	117.78
Al1H4Li1	900	116.2
Al1H4Li1	800	114.223
Al1H4Li1	700	111.294
Al1H4Li1	600	106.901
Al1H4Li1	500	101.253
Al1H4Li1	400	93.722
Al1H4Li1	300	86.944
C1Be2	3,400	92.939
C1Be2	3,300	92.864
C1Be2	3,200	92.786
C1Be2	3,100	92.705
C1Be2	3,000	92.621
C1Be2	2,900	92.534
C1Be2	2,800	92.443
C1Be2	2,700	92.35
C1Be2	2,600	92.253
C1Be2	2,500	92.153
C1Be2	2,400	92.048
C1Be2	2,400	92.048
C1Be2	2,300	91.964
C1Be2	2,200	91.885
C1Be2	2,100	91.797
C1Be2	2,000	91.722
C1Be2	1,900	91.621
C1Be2	1,800	91.349
C1Be2	1,700	90.843
C1Be2	1,600	90.023
C1Be2	1,500	88.881
C1Be2	1,400	87.278
C1Be2	1,300	85.011
C1Be2	1,200	81.797
C1Be2	1,100	77.525
C1Be2	1,000	73.249
C1Be2	900	68.977
C1Be2	800	64.706
C1Be2	700	60.434
C1Be2	600	51.89
C1Be2	500	49.752
C1Be2	400	47.614
C1Be2	300	43.329
C1Be2	298	43.25
Cr1	2,700	68.467
Cr1	2,600	66.111
Cr1	2,500	63.764
Cr1	2,400	61.425
Cr1	2,300	59.099
Cr1	2,200	56.785
Cr1	2,130	55.174
Cr1	2,100	54.488
Cr1	2,000	52.204
Cr1	1,900	49.944
Cr1	1,800	47.706
Cr1	1,700	45.501
Cr1	1,600	43.329
Cr1	1,500	41.2
Cr1	1,400	39.125
Cr1	1,300	37.116
Cr1	1,200	35.187
Cr1	1,100	33.472