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kjappelbaum
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chemnlp-mp-shear-modulus

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train · 6.18k rows

Unnamed: 0 int64 0 4.33k	formula stringlengths 2 14	shear_modulus float64 0 425	split stringclasses 3 values
0	Cs2ZrCl6	4	test
1	Mo2C	149.616855	test
2	YMgCu4	42.598374	test
3	GaNi3	77.377966	test
4	ZnPt3	68.360751	test
5	SnPd	35.977404	test
6	KZnN	9.103234	test
7	NiAs2	54.348694	test
8	ErCu2	26	test
9	BiO2	23.674533	test
10	InAgS2	15.732942	test
11	LiAlO2	52.475457	test
12	Hf2Ge	93.135201	test
13	CaIn2Cu	30.983222	test
14	Co(BW)2	207.6374	test
15	PtI2	3.692776	test
16	P2O5	21.562378	test
17	NbZn16	32.524837	test
18	Li2PdO2	43.574629	test
19	Zr3Au	52	test
20	NbPbS2	26.236806	test
21	KCuSe	21.58667	test
22	AlCrO3	72	test
23	NbP	109.209943	test
24	Rb2NbF6	10.933957	test
25	Bi2S3	3.214899	test
26	InTe	11.667704	test
27	MnAlRu2	127.440138	test
28	CaAl2SiO6	69.973145	test
29	Al2CuO4	44.383044	test
30	Na3(CuO2)2	16.522411	test
31	Zr(MoO4)2	14.070543	test
32	Fe(SiP)4	90.52759	test
33	Mn3O4	47.484825	test
34	CuWO4	46.093044	test
35	ZrCu	30.605359	test
36	TaAlOs2	143.389525	test
37	VAg(PSe3)2	4.348623	test
38	ScAlPd2	41.063962	test
39	Hf2CS	123.171081	test
40	Ti3Ag	25	test
41	GaCo	66.72254	test
42	Bi2AuO5	50.385971	test
43	Te2Mo3W(Se2S)2	12.125984	test
44	CeBe13	118.097322	test
45	Sr2MgH6	36.149352	test
46	HfMgRh2	71.244768	test
47	Li2FeBr4	12.778555	test
48	Ba(BiPd)2	19.583753	test
49	Mg3Ag	22.86243	test
50	Ba(FeP)2	55.58729	test
51	NiPt	90.789004	test
52	Sr2FeSO3	152.346641	test
53	NaAgO	21.190291	test
54	ZrI2	7.529296	test
55	CoTeO4	24.816348	test
56	Ca3BiP	12	test
57	TaCu3Te4	19.885728	test
58	BaCO3	22.170936	test
59	HfPt	31.363089	test
60	MnV2O6	24.994861	test
61	TlCoO3	123	test
62	Li(NiS)2	20	test
63	Sc2Si2Ru	68.854531	test
64	Ce2C3	70.490607	test
65	LaAs	39.879621	test
66	TiNiGe	83.362375	test
67	TiVO3	74.464494	test
68	Zr(SiNi)2	81.719128	test
69	SrS	32.448331	test
70	Li7VN4	72.213241	test
71	SrCuP	46.393729	test
72	Ta4FeP	101.230337	test
73	Ti2MnRu	79.827905	test
74	Be17Ru3	117.026848	test
75	Sr(AlSi)2	38.347013	test
76	Sr2CoO3	47.366379	test
77	Sc2CdTc	29.055774	test
78	CoSe	10.14286	test
79	ScNi	45.540504	test
80	AlCuS2	35.18701	test
81	SrCuF4	26	test
82	YPPt	49.224912	test
83	GaNi2	53.942674	test
84	Ca(CuSi)2	53.653518	test
85	V3Os	106.951362	test
86	YMnO3	64	test
87	Mg2FeH6	60.887107	test
88	BaSO4	18.525042	test
89	Li2FeO2	46.013924	test
90	KPt2Se3	13	test
91	Sr3Sb2	23	test
92	PbICl	3.6629	test
93	BPt3	52.243996	test
94	Mg3Cu	26.465864	test
95	Tl3SbSe3	6.212092	test
96	GdScO3	79.978925	test
97	ScPt3	90.320035	test
98	Li2AlPt	38	test
99	YAl2Ni	57.197006	test

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