sid int64 0 10.4M | source_alex_id int64 1,000k 11.7M | formula stringlengths 1 21 | natoms int64 1 236 | energy_total_eV float64 -15,761.64 -0 | energy_linref_eV float64 -15,686.61 569 |
|---|---|---|---|---|---|
100 | 3,290,558 | Ag5Ga3 | 8 | -23.23513 | -1.7192 |
101 | 3,290,558 | Ag5Ga3 | 8 | -23.238165 | -1.722235 |
102 | 3,296,029 | Ag12Ga4 | 16 | -46.476246 | -5.393828 |
103 | 3,296,029 | Ag12Ga4 | 16 | -46.484107 | -5.40169 |
104 | 3,291,676 | Ag3Ga8 | 11 | -32.287917 | 1.07353 |
105 | 3,291,676 | Ag3Ga8 | 11 | -32.28689 | 1.074557 |
106 | 3,297,943 | Ga8Ir2 | 10 | -43.865267 | 0.455002 |
107 | 3,297,943 | Ga8Ir2 | 10 | -43.859259 | 0.461009 |
108 | 3,285,810 | Ag13Ga2 | 15 | -43.013751 | -6.204746 |
109 | 3,285,810 | Ag13Ga2 | 15 | -43.014069 | -6.205064 |
110 | 3,298,167 | Ga8Pd2 | 10 | -36.878137 | 0.59291 |
111 | 3,298,167 | Ga8Pd2 | 10 | -36.877067 | 0.59398 |
112 | 3,296,110 | Ag3Pd | 4 | -13.891267 | -1.378597 |
113 | 3,296,110 | Ag3Pd | 4 | -13.876421 | -1.363752 |
114 | 3,295,990 | Ga2Pb | 3 | -9.549392 | 0.598998 |
115 | 3,295,990 | Ga2Pb | 3 | -9.549189 | 0.599201 |
116 | 3,286,972 | Ga6Ir4 | 10 | -55.917493 | -0.263874 |
117 | 3,286,972 | Ga6Ir4 | 10 | -55.911548 | -0.257929 |
118 | 3,300,110 | AgGa8 | 9 | -26.704649 | 2.008856 |
119 | 3,300,110 | AgGa8 | 9 | -26.697089 | 2.016416 |
120 | 3,293,218 | Ag5Ga7 | 12 | -34.732659 | -0.021962 |
121 | 3,293,218 | Ag5Ga7 | 12 | -34.693468 | 0.017229 |
122 | 3,287,486 | Ag12Te8 | 20 | -59.991615 | -0.721381 |
123 | 3,287,486 | Ag12Te8 | 20 | -59.942368 | -0.672133 |
124 | 3,285,827 | Ag2La13 | 15 | -70.414352 | 1.179099 |
125 | 3,285,827 | Ag2La13 | 15 | -70.403093 | 1.190358 |
126 | 3,298,201 | Au2Ga8 | 10 | -31.155128 | 1.808651 |
127 | 3,298,201 | Au2Ga8 | 10 | -31.054827 | 1.908953 |
128 | 3,298,201 | Au2Ga8 | 10 | -30.944739 | 2.019041 |
129 | 3,298,201 | Au2Ga8 | 10 | -30.818324 | 2.145456 |
130 | 3,298,201 | Au2Ga8 | 10 | -30.708333 | 2.255446 |
131 | 3,298,201 | Au2Ga8 | 10 | -30.816941 | 2.146839 |
132 | 3,298,201 | Au2Ga8 | 10 | -30.708803 | 2.254977 |
133 | 3,298,201 | Au2Ga8 | 10 | -30.605888 | 2.357891 |
134 | 3,298,201 | Au2Ga8 | 10 | -30.470913 | 2.492866 |
135 | 3,288,872 | Ag2Pd5 | 7 | -31.340083 | 1.011642 |
136 | 3,288,872 | Ag2Pd5 | 7 | -31.3196 | 1.032125 |
137 | 3,297,300 | Ag8Ga2 | 10 | -27.399211 | -2.210061 |
138 | 3,297,300 | Ag8Ga2 | 10 | -27.394982 | -2.205832 |
139 | 3,295,268 | Ag2Sn4 | 6 | -20.14287 | 0.84607 |
140 | 3,295,268 | Ag2Sn4 | 6 | -20.243949 | 0.744991 |
141 | 3,295,268 | Ag2Sn4 | 6 | -20.051663 | 0.937277 |
142 | 3,295,268 | Ag2Sn4 | 6 | -19.30322 | 1.68572 |
143 | 3,292,435 | Hg4Pb5 | 9 | -19.497151 | -1.408291 |
144 | 3,292,435 | Hg4Pb5 | 9 | -19.469484 | -1.380623 |
145 | 3,300,614 | ClHg8 | 9 | -4.965767 | -0.973544 |
146 | 3,300,614 | ClHg8 | 9 | -4.971287 | -0.979064 |
147 | 3,287,177 | Hg4Pd6 | 10 | -32.632997 | 0.945371 |
148 | 3,287,177 | Hg4Pd6 | 10 | -32.622797 | 0.955571 |
149 | 3,298,923 | Au10Hg2 | 12 | -32.971915 | 0.066226 |
150 | 3,298,923 | Au10Hg2 | 12 | -32.94057 | 0.097571 |
151 | 3,286,962 | Ag4Ga6 | 10 | -29.119576 | -0.031542 |
152 | 3,286,962 | Ag4Ga6 | 10 | -29.120781 | -0.032747 |
153 | 3,288,254 | F10Hg4 | 14 | -37.095701 | 14.463137 |
154 | 3,288,254 | F10Hg4 | 14 | -36.833358 | 14.725479 |
155 | 3,288,254 | F10Hg4 | 14 | -36.666296 | 14.892542 |
156 | 3,288,254 | F10Hg4 | 14 | -36.206987 | 15.35185 |
157 | 3,300,147 | GaHg8 | 9 | -5.112531 | -1.146182 |
158 | 3,300,147 | GaHg8 | 9 | -5.116736 | -1.150387 |
159 | 3,294,208 | Ga4Pd4 | 8 | -37.182892 | -1.825098 |
160 | 3,294,208 | Ga4Pd4 | 8 | -37.184285 | -1.826491 |
161 | 3,289,695 | Ga8Ir6 | 14 | -78.716206 | 1.46553 |
162 | 3,289,695 | Ga8Ir6 | 14 | -78.715809 | 1.465928 |
163 | 3,285,527 | Hg2Pb13 | 15 | -48.695154 | -2.365157 |
164 | 3,285,527 | Hg2Pb13 | 15 | -48.567401 | -2.237404 |
165 | 3,294,098 | Ga2Pb2 | 4 | -13.264336 | 0.435061 |
166 | 3,294,098 | Ga2Pb2 | 4 | -13.358419 | 0.340978 |
167 | 3,294,098 | Ga2Pb2 | 4 | -13.301441 | 0.397955 |
168 | 3,294,098 | Ga2Pb2 | 4 | -13.25759 | 0.441806 |
169 | 3,294,098 | Ga2Pb2 | 4 | -13.183428 | 0.515969 |
170 | 3,294,098 | Ga2Pb2 | 4 | -13.114719 | 0.584677 |
171 | 3,294,098 | Ga2Pb2 | 4 | -13.018269 | 0.681127 |
172 | 3,294,098 | Ga2Pb2 | 4 | -12.833165 | 0.866232 |
173 | 3,294,098 | Ga2Pb2 | 4 | -7.86772 | 5.831676 |
174 | 3,294,098 | Ga2Pb2 | 4 | -12.541972 | 1.157424 |
175 | 3,294,098 | Ga2Pb2 | 4 | -12.533282 | 1.166114 |
176 | 3,294,098 | Ga2Pb2 | 4 | -8.973413 | 4.725983 |
177 | 3,294,098 | Ga2Pb2 | 4 | -7.274631 | 6.424765 |
178 | 3,294,098 | Ga2Pb2 | 4 | -5.956852 | 7.742545 |
179 | 3,292,057 | Ag5Ga4 | 9 | -26.223718 | -1.409096 |
180 | 3,292,057 | Ag5Ga4 | 9 | -26.226432 | -1.41181 |
181 | 3,292,886 | Ag6Ga5 | 11 | -31.756762 | -1.319477 |
182 | 3,292,886 | Ag6Ga5 | 11 | -31.760478 | -1.323194 |
183 | 3,292,436 | Hg5Pb4 | 9 | -15.43972 | -0.818409 |
184 | 3,292,436 | Hg5Pb4 | 9 | -15.441254 | -0.819942 |
185 | 3,293,221 | Ag7Au5 | 12 | -36.459644 | -3.756235 |
186 | 3,293,221 | Ag7Au5 | 12 | -36.43317 | -3.72976 |
187 | 3,299,374 | Ga12Sn2 | 14 | -43.798608 | 3.956192 |
188 | 3,299,374 | Ga12Sn2 | 14 | -43.798584 | 3.956217 |
189 | 3,295,956 | Os4W2 | 6 | -69.866183 | -4.71125 |
190 | 3,295,956 | Os4W2 | 6 | -69.86378 | -4.708847 |
191 | 3,298,187 | F8Ga2 | 10 | -38.010398 | 9.566993 |
192 | 3,298,187 | F8Ga2 | 10 | -37.903952 | 9.673439 |
193 | 3,298,187 | F8Ga2 | 10 | -37.699178 | 9.878212 |
194 | 3,298,187 | F8Ga2 | 10 | -37.52729 | 10.050101 |
195 | 3,298,187 | F8Ga2 | 10 | -37.121964 | 10.455427 |
196 | 3,293,015 | Hg5Pb6 | 11 | -23.123778 | -1.400454 |
197 | 3,293,015 | Hg5Pb6 | 11 | -23.101498 | -1.378174 |
198 | 3,296,837 | Ga6Pd2 | 8 | -31.334333 | -0.460669 |
199 | 3,296,837 | Ga6Pd2 | 8 | -31.415355 | -0.54169 |
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