Heat capacity data from the NIST-JANAF Thermochemical Tables.

cp_test.csv

@@ -0,0 +1,371 @@
+formula,T,Cp
+Ba1H2O2,900.0,134.892
+Ba1H2O2,800.0,130.834
+Ba1H2O2,700.0,126.775
+Ba1H2O2,681.15,126.022
+Ba1H2O2,600.0,122.71700000000001
+Ba1H2O2,500.0,118.65799999999999
+Ba1H2O2,400.0,112.633
+Ba1H2O2,300.0,101.79700000000001
+Ba1H2O2,298.0,101.62899999999999
+Ba1,298.0,28.096
+Ba1,1400.0,39.066
+Ba1,1300.0,39.066
+Ba1,1200.0,39.066
+Ba1,1100.0,39.066
+Ba1,1000.0,39.066
+Ba1,1000.0,39.066
+Ba1,900.0,39.066
+Ba1,800.0,39.066
+Ba1,768.13,48.103
+Ba1,768.13,39.066
+Ba1,700.0,42.363
+Ba1,600.0,33.941
+Ba1,582.53,54.4
+Ba1,582.53,32.468
+Ba1,500.0,43.744
+Ba1,450.0,38.031
+Ba1,400.0,33.229
+Ba1,350.0,29.898000000000003
+Ba1,300.0,28.142
+Cs2O4S1,1400.0,256.103
+Cs2O4S1,1300.0,240.622
+Cs2O4S1,1278.0,237.233
+Cs2O4S1,1200.0,225.141
+Cs2O4S1,1100.0,209.66
+Cs2O4S1,1000.0,194.179
+Cs2O4S1,940.0,184.891
+Cs2O4S1,900.0,178.699
+Cs2O4S1,800.0,163.218
+Cs2O4S1,700.0,147.737
+Cs2O4S1,600.0,132.256
+Cs2O4S1,500.0,120.081
+Cs2O4S1,400.0,112.131
+Cs2O4S1,300.0,108.78399999999999
+Cs2O4S1,298.0,108.7
+Br3Mo1,298.0,105.37
+Br3Mo1,1400.0,121.50299999999999
+Br3Mo1,1300.0,120.039
+Br3Mo1,1200.0,118.575
+Br3Mo1,1100.0,117.11
+Br3Mo1,1000.0,115.646
+Br3Mo1,900.0,114.181
+Br3Mo1,800.0,112.71700000000001
+Br3Mo1,700.0,111.25299999999999
+Br3Mo1,600.0,109.788
+Br3Mo1,500.0,108.324
+Br3Mo1,400.0,106.859
+Br3Mo1,300.0,105.395
+Br2Sr1,298.0,76.85300000000002
+Br2Sr1,1400.0,115.06
+Br2Sr1,1300.0,115.06
+Br2Sr1,1200.0,115.06
+Br2Sr1,1100.0,115.06
+Br2Sr1,1000.0,115.06
+Br2Sr1,930.0,115.06
+Br2Sr1,918.0,91.71700000000001
+Br2Sr1,918.0,115.06
+Br2Sr1,900.0,91.00200000000001
+Br2Sr1,800.0,87.571
+Br2Sr1,700.0,84.89299999999999
+Br2Sr1,600.0,82.676
+Br2Sr1,500.0,80.835
+Br2Sr1,300.0,76.902
+H3O4P1,900.0,288.361
+H3O4P1,800.0,258.069
+H3O4P1,700.0,227.77700000000002
+H3O4P1,600.0,197.485
+H3O4P1,500.0,167.19299999999996
+H3O4P1,400.0,136.9
+H3O4P1,315.5,111.303
+H3O4P1,300.0,106.60799999999999
+H3O4P1,298.0,106.064
+Fe2O12S3,1900.0,449.069
+Fe2O12S3,1800.0,445.55400000000003
+Fe2O12S3,1700.0,441.83
+Fe2O12S3,1600.0,438.065
+Fe2O12S3,1500.0,434.09
+Fe2O12S3,1400.0,429.906
+Fe2O12S3,1300.0,425.51300000000003
+Fe2O12S3,1200.0,420.659
+Fe2O12S3,1100.0,415.26199999999994
+Fe2O12S3,1000.0,409.23699999999997
+Fe2O12S3,900.0,402.041
+Fe2O12S3,800.0,393.254
+Fe2O12S3,700.0,380.702
+Fe2O12S3,600.0,363.29699999999997
+Fe2O12S3,500.0,339.281
+Fe2O12S3,400.0,307.022
+Fe2O12S3,300.0,265.851
+Fe2O12S3,298.0,264.722
+H1Na1,1400.0,63.021
+H1Na1,1300.0,62.425
+H1Na1,1200.0,61.64100000000001
+H1Na1,1100.0,60.668
+H1Na1,1000.0,59.413000000000004
+H1Na1,900.0,57.948
+H1Na1,800.0,56.066
+H1Na1,700.0,53.723
+H1Na1,600.0,50.71
+H1Na1,500.0,47.153999999999996
+H1Na1,400.0,42.468
+H1Na1,300.0,36.535
+H1Na1,298.0,36.391999999999996
+Cu1O4S1,1900.0,168.908
+Cu1O4S1,1800.0,167.56900000000005
+Cu1O4S1,1700.0,166.14700000000005
+Cu1O4S1,1600.0,164.72400000000005
+Cu1O4S1,1500.0,163.218
+Cu1O4S1,1400.0,161.628
+Cu1O4S1,1300.0,159.954
+Cu1O4S1,1200.0,158.113
+Cu1O4S1,1100.0,156.063
+Cu1O4S1,1000.0,153.762
+Cu1O4S1,900.0,151.042
+Cu1O4S1,800.0,147.695
+Cu1O4S1,700.0,142.925
+Cu1O4S1,600.0,136.315
+Cu1O4S1,500.0,127.194
+Cu1O4S1,400.0,114.934
+Cu1O4S1,300.0,99.286
+Cu1O4S1,298.0,98.868
+B1H4Li1,298.0,82.539
+B1H4Li1,1900.0,121.50200000000001
+B1H4Li1,1800.0,121.007
+B1H4Li1,1700.0,120.477
+B1H4Li1,1600.0,119.913
+B1H4Li1,1500.0,119.316
+B1H4Li1,1400.0,118.684
+B1H4Li1,1300.0,118.01899999999999
+B1H4Li1,1200.0,117.319
+B1H4Li1,1100.0,116.39200000000001
+B1H4Li1,1000.0,115.353
+B1H4Li1,900.0,114.34899999999999
+B1H4Li1,800.0,113.052
+B1H4Li1,700.0,109.914
+B1H4Li1,600.0,105.14399999999999
+B1H4Li1,500.0,98.28200000000001
+B1H4Li1,400.0,91.00200000000001
+B1H4Li1,300.0,82.98899999999998
+I1Li1,2400.0,76.191
+I1Li1,2300.0,76.191
+I1Li1,2200.0,76.191
+I1Li1,2100.0,76.191
+I1Li1,2000.0,76.191
+I1Li1,1900.0,76.191
+I1Li1,1800.0,76.191
+I1Li1,1700.0,76.191
+I1Li1,1600.0,76.191
+I1Li1,1500.0,76.191
+I1Li1,1400.0,75.877
+I1Li1,1300.0,75.375
+I1Li1,1200.0,74.559
+I1Li1,1100.0,73.53399999999998
+I1Li1,1000.0,71.965
+I1Li1,900.0,69.517
+I1Li1,800.0,66.107
+I1Li1,700.0,62.258
+I1Li1,600.0,58.66
+I1Li1,500.0,55.948
+I1Li1,400.0,53.43
+I1Li1,300.0,50.187
+I1Li1,298.0,50.082
+Fe1S1,1800.0,99.67
+Fe1S1,1700.0,91.17399999999999
+Fe1S1,1600.0,83.65299999999998
+Fe1S1,1500.0,77.10600000000002
+Fe1S1,1463.0,74.93
+Fe1S1,1400.0,71.533
+Fe1S1,1300.0,66.935
+Fe1S1,1200.0,63.31100000000001
+Fe1S1,1100.0,60.662
+Fe1S1,1000.0,58.986000000000004
+Fe1S1,900.0,58.286
+Fe1S1,800.0,58.56
+Fe1S1,700.0,59.808
+Fe1S1,600.0,62.03
+Fe1S1,598.0,72.358
+Fe1S1,598.0,62.085
+Fe1S1,500.0,72.358
+Fe1S1,411.0,95.051
+Fe1S1,411.0,72.358
+Fe1S1,400.0,89.20299999999996
+Fe1S1,300.0,50.67100000000001
+Fe1S1,298.0,50.516999999999996
+I2Mg1,1400.0,93.76299999999999
+I2Mg1,1300.0,92.634
+I2Mg1,1200.0,91.462
+I2Mg1,1100.0,90.249
+I2Mg1,1000.0,88.994
+I2Mg1,907.0,87.86399999999998
+I2Mg1,900.0,87.655
+I2Mg1,800.0,86.274
+I2Mg1,700.0,84.726
+I2Mg1,600.0,83.01100000000002
+I2Mg1,500.0,80.919
+I2Mg1,400.0,78.408
+I2Mg1,300.0,74.977
+I2Mg1,298.0,74.81
+Mo1O3,1400.0,128.779
+Mo1O3,1300.0,123.68299999999999
+Mo1O3,1200.0,118.679
+Mo1O3,1100.0,113.792
+Mo1O3,1074.0,112.56200000000001
+Mo1O3,1000.0,109.039
+Mo1O3,900.0,104.441
+Mo1O3,800.0,100.031
+Mo1O3,700.0,95.814
+Mo1O3,600.0,91.77600000000001
+Mo1O3,500.0,87.751
+Mo1O3,400.0,83.094
+Mo1O3,300.0,75.107
+Mo1O3,298.0,74.881
+I3Zr1,298.0,103.818
+I3Zr1,1900.0,107.947
+I3Zr1,1800.0,107.905
+I3Zr1,1700.0,107.86399999999999
+I3Zr1,1600.0,107.822
+I3Zr1,1500.0,107.78
+I3Zr1,1400.0,107.738
+I3Zr1,1300.0,107.696
+I3Zr1,1200.0,107.61200000000001
+I3Zr1,1100.0,107.529
+I3Zr1,1000.0,107.445
+I3Zr1,900.0,107.32
+I3Zr1,800.0,107.11
+I3Zr1,700.0,106.90100000000001
+I3Zr1,600.0,106.69200000000001
+I3Zr1,500.0,106.274
+I3Zr1,400.0,105.855
+I3Zr1,300.0,103.897
+I4Si1,298.0,108.035
+I4Si1,400.0,116.943
+I4Si1,393.65,116.38799999999999
+I4Si1,300.0,108.198
+Br2Mo1,298.0,79.684
+Br2Mo1,1700.0,94.34899999999999
+Br2Mo1,1600.0,93.303
+Br2Mo1,1500.0,92.257
+Br2Mo1,1400.0,91.211
+Br2Mo1,1300.0,90.165
+Br2Mo1,1200.0,89.119
+Br2Mo1,1100.0,88.073
+Br2Mo1,1000.0,87.027
+Br2Mo1,900.0,85.98100000000002
+Br2Mo1,800.0,84.935
+Br2Mo1,700.0,83.889
+Br2Mo1,600.0,82.84299999999998
+Br2Mo1,500.0,81.797
+Br2Mo1,400.0,80.751
+Br2Mo1,300.0,79.705
+I1K1,298.0,52.777
+I1K1,1900.0,75.317
+I1K1,1800.0,75.291
+I1K1,1700.0,75.234
+I1K1,1600.0,75.145
+I1K1,1500.0,74.92699999999998
+I1K1,1400.0,74.601
+I1K1,1300.0,74.09
+I1K1,1200.0,73.13600000000002
+I1K1,1100.0,71.546
+I1K1,1000.0,69.036
+I1K1,954.0,67.594
+I1K1,900.0,65.793
+I1K1,800.0,62.638999999999996
+I1K1,700.0,59.777
+I1K1,600.0,57.3
+I1K1,500.0,55.363
+I1K1,400.0,53.931999999999995
+I1K1,300.0,52.806000000000004
+K2O3Si1,298.0,118.40700000000001
+K2O3Si1,2100.0,204.179
+K2O3Si1,2000.0,202.08700000000002
+K2O3Si1,1900.0,199.995
+K2O3Si1,1800.0,197.903
+K2O3Si1,1700.0,195.81099999999998
+K2O3Si1,1600.0,193.71900000000002
+K2O3Si1,1500.0,191.627
+K2O3Si1,1400.0,189.535
+K2O3Si1,1300.0,187.44299999999998
+K2O3Si1,1249.0,186.37599999999998
+K2O3Si1,1200.0,185.351
+K2O3Si1,1100.0,182.00400000000002
+K2O3Si1,1000.0,179.075
+K2O3Si1,900.0,175.31
+K2O3Si1,800.0,170.707
+K2O3Si1,700.0,164.85
+K2O3Si1,600.0,157.737
+K2O3Si1,500.0,148.114
+K2O3Si1,400.0,135.562
+K2O3Si1,300.0,118.758
+Li2O4S1,298.0,117.60799999999999
+Li2O4S1,1100.0,237.051
+Li2O4S1,1000.0,223.38400000000001
+Li2O4S1,900.0,209.702
+Li2O4S1,848.0,202.732
+Li2O4S1,800.0,196.062
+Li2O4S1,700.0,182.36
+Li2O4S1,600.0,168.46900000000005
+Li2O4S1,500.0,154.47299999999996
+Li2O4S1,400.0,139.244
+Li2O4S1,300.0,118.02600000000001
+N2O4,298.0,122.103
+N2O4,400.0,153.636
+N2O4,300.0,122.675
+O2Si1,298.0,26.581
+O2Si1,2900.0,76.015
+O2Si1,2800.0,75.852
+O2Si1,2700.0,75.684
+O2Si1,2600.0,75.509
+O2Si1,2500.0,75.333
+O2Si1,2400.0,75.145
+O2Si1,2300.0,74.952
+O2Si1,2200.0,74.751
+O2Si1,2100.0,74.542
+O2Si1,2000.0,74.316
+O2Si1,1900.0,74.074
+O2Si1,1800.0,73.814
+O2Si1,1700.0,73.53399999999998
+O2Si1,1600.0,73.22
+O2Si1,1500.0,72.869
+O2Si1,1400.0,72.467
+O2Si1,1300.0,71.998
+O2Si1,1200.0,71.446
+O2Si1,1100.0,70.77199999999998
+O2Si1,1000.0,69.923
+O2Si1,900.0,68.82300000000001
+O2Si1,800.0,67.337
+O2Si1,700.0,65.229
+O2Si1,600.0,62.049
+O2Si1,500.0,56.856
+O2Si1,400.0,47.413000000000004
+O2Si1,300.0,27.154
+O4S1Zn1,298.0,99.035
+O4S1Zn1,1900.0,145.185
+O4S1Zn1,1800.0,145.185
+O4S1Zn1,1700.0,145.185
+O4S1Zn1,1600.0,145.185
+O4S1Zn1,1500.0,145.185
+O4S1Zn1,1400.0,145.185
+O4S1Zn1,1300.0,145.185
+O4S1Zn1,1200.0,145.185
+O4S1Zn1,1100.0,145.185
+O4S1Zn1,1013.0,142.13
+O4S1Zn1,1013.0,145.185
+O4S1Zn1,1000.0,142.005
+O4S1Zn1,900.0,140.875
+O4S1Zn1,800.0,139.704
+O4S1Zn1,700.0,138.57399999999998
+O4S1Zn1,600.0,137.444
+O4S1Zn1,540.0,136.817
+O4S1Zn1,540.0,136.817
+O4S1Zn1,500.0,131.21
+O4S1Zn1,400.0,116.022
+O4S1Zn1,300.0,99.37
+Rb1,500.0,49.699
+Rb1,450.0,45.082
+Rb1,400.0,40.465
+Rb1,350.0,35.848
+Rb1,312.65,32.400999999999996
+Rb1,300.0,31.188000000000002
+Rb1,298.0,31.061999999999998

cp_train.csv

@@ -0,0 +1,3215 @@
+formula,T,Cp
+B2O3,1400.0,134.306
+B2O3,1300.0,131.29399999999998
+B2O3,1200.0,128.072
+B2O3,1100.0,124.516
+B2O3,1000.0,120.625
+B2O3,900.0,116.19
+B2O3,800.0,111.169
+B2O3,723.0,106.69200000000001
+B2O3,700.0,105.228
+B2O3,600.0,98.115
+B2O3,500.0,89.287
+B2O3,400.0,77.94800000000002
+B2O3,300.0,62.927
+B2O3,298.0,62.588
+Be1I2,1400.0,89.34100000000002
+Be1I2,1300.0,89.115
+Be1I2,1200.0,88.78
+Be1I2,1100.0,88.337
+Be1I2,1000.0,87.789
+Be1I2,900.0,87.132
+Be1I2,800.0,86.366
+Be1I2,753.0,85.944
+Be1I2,600.0,84.19
+Be1I2,500.0,81.638
+Be1I2,400.0,76.868
+Be1I2,300.0,69.128
+Be1I2,298.0,68.961
+Be1F3Li1,1100.0,192.46400000000003
+Be1F3Li1,1000.0,179.912
+Be1F3Li1,900.0,167.36
+Be1F3Li1,800.0,154.808
+Be1F3Li1,700.0,142.256
+Be1F3Li1,650.0,135.98
+Be1F3Li1,600.0,129.704
+Be1F3Li1,500.0,117.152
+Be1F3Li1,400.0,104.6
+Be1F3Li1,300.0,92.04799999999999
+Be1F3Li1,298.0,91.816
+Al1Cl4K1,900.0,199.995
+Al1Cl4K1,800.0,196.648
+Al1Cl4K1,700.0,190.79
+Al1Cl4K1,600.0,183.176
+Al1Cl4K1,500.0,174.305
+Al1Cl4K1,400.0,165.477
+Al1Cl4K1,300.0,156.649
+Al1Cl4K1,298.0,156.482
+Al2Be1O4,2300.0,248.548
+Al2Be1O4,2200.0,233.09799999999998
+Al2Be1O4,2146.0,226.25
+Al2Be1O4,2100.0,220.19
+Al2Be1O4,2000.0,209.49
+Al2Be1O4,1900.0,201.57
+Al2Be1O4,1800.0,195.79
+Al2Be1O4,1700.0,191.56
+Al2Be1O4,1600.0,188.41
+Al2Be1O4,1500.0,185.91
+Al2Be1O4,1400.0,183.75
+Al2Be1O4,1300.0,181.67
+Al2Be1O4,1200.0,179.48
+Al2Be1O4,1100.0,177.03
+Al2Be1O4,1000.0,174.2
+Al2Be1O4,900.0,170.87
+Al2Be1O4,800.0,166.83
+Al2Be1O4,700.0,161.75
+Al2Be1O4,600.0,154.97
+Al2Be1O4,500.0,145.25
+Al2Be1O4,400.0,130.28
+Al2Be1O4,300.0,105.94
+Al2Be1O4,298.0,105.38
+B2H4O4,1400.0,258.99
+B2H4O4,1300.0,253.801
+B2H4O4,1200.0,247.442
+B2H4O4,1100.0,239.99400000000003
+B2H4O4,1000.0,231.333
+B2H4O4,900.0,221.459
+B2H4O4,800.0,210.41299999999998
+B2H4O4,700.0,197.025
+B2H4O4,600.0,181.71099999999998
+B2H4O4,500.0,163.762
+B2H4O4,400.0,143.135
+B2H4O4,300.0,116.775
+B2H4O4,298.0,116.19
+Be1F2,1200.0,87.529
+Be1F2,1100.0,84.182
+Be1F2,1000.0,80.835
+Be1F2,900.0,77.488
+Be1F2,825.0,74.977
+Be1F2,800.0,74.14
+Be1F2,700.0,70.793
+Be1F2,600.0,67.446
+Be1F2,500.0,76.048
+Be1F2,500.0,76.048
+Be1F2,500.0,64.09899999999999
+Be1F2,400.0,62.522
+Be1F2,300.0,52.028
+Be1F2,298.0,51.818999999999996
+B1H4Na1,1900.0,133.679
+B1H4Na1,1800.0,133.553
+B1H4Na1,1700.0,133.511
+B1H4Na1,1600.0,133.428
+B1H4Na1,1500.0,133.30200000000002
+B1H4Na1,1400.0,133.135
+B1H4Na1,1300.0,132.675
+B1H4Na1,1200.0,131.754
+B1H4Na1,1100.0,130.039
+B1H4Na1,1000.0,127.445
+B1H4Na1,900.0,124.265
+B1H4Na1,800.0,120.24799999999999
+B1H4Na1,700.0,115.26899999999999
+B1H4Na1,600.0,108.617
+B1H4Na1,500.0,101.79700000000001
+B1H4Na1,400.0,94.55799999999999
+B1H4Na1,300.0,86.64200000000002
+B1H4Na1,298.0,86.48299999999998
+Al1Cl6Na3,298.0,244.136
+Al1Cl6Na3,1900.0,334.825
+Al1Cl6Na3,1800.0,332.21
+Al1Cl6Na3,1700.0,329.385
+Al1Cl6Na3,1600.0,326.3520000000001
+Al1Cl6Na3,1500.0,322.796
+Al1Cl6Na3,1400.0,318.82099999999997
+Al1Cl6Na3,1300.0,314.741
+Al1Cl6Na3,1200.0,310.453
+Al1Cl6Na3,1100.0,305.72
+Al1Cl6Na3,1000.0,300.62
+Al1Cl6Na3,900.0,294.972
+Al1Cl6Na3,800.0,288.69599999999997
+Al1Cl6Na3,700.0,281.165
+Al1Cl6Na3,600.0,273.006
+Al1Cl6Na3,500.0,264.01
+Al1Cl6Na3,400.0,254.387
+Al1Cl6Na3,300.0,244.513
+Al1Br3,298.0,100.57799999999999
+Al1Br3,1400.0,124.934
+Al1Br3,1300.0,124.851
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+Al1Br3,1100.0,124.68299999999999
+Al1Br3,1000.0,124.6
+Al1Br3,900.0,124.516
+Al1Br3,800.0,124.432
+Al1Br3,700.0,124.348
+Al1Br3,600.0,124.265
+Al1Br3,500.0,123.846
+Al1Br3,400.0,117.78
+Al1Br3,370.6,113.07799999999999
+Al1Br3,300.0,100.816
+Br3Zr1,1900.0,106.566
+Br3Zr1,1800.0,106.525
+Br3Zr1,1700.0,106.48299999999999
+Br3Zr1,1600.0,106.441
+Br3Zr1,1500.0,106.399
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+Br3Zr1,1300.0,106.315
+Br3Zr1,1200.0,106.23200000000001
+Br3Zr1,1100.0,106.148
+Br3Zr1,1000.0,106.064
+Br3Zr1,900.0,105.855
+Br3Zr1,800.0,105.43700000000001
+Br3Zr1,700.0,105.01799999999999
+Br3Zr1,600.0,104.6
+Br3Zr1,500.0,103.76299999999999
+Br3Zr1,400.0,102.508
+Br3Zr1,300.0,99.56200000000001
+Br3Zr1,298.0,99.48299999999999
+Be2O4Si1,2900.0,194.58900000000003
+Be2O4Si1,2800.0,193.702
+Be2O4Si1,2700.0,192.815
+Be2O4Si1,2600.0,191.928
+Be2O4Si1,2500.0,191.041
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+Be2O4Si1,2300.0,189.267
+Be2O4Si1,2200.0,188.38
+Be2O4Si1,2100.0,187.493
+Be2O4Si1,2000.0,186.606
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+Be2O4Si1,1700.0,183.803
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+Be2O4Si1,1500.0,181.887
+Be2O4Si1,1400.0,180.916
+Be2O4Si1,1300.0,179.636
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+Be2O4Si1,1100.0,176.356
+Be2O4Si1,1000.0,174.054
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+Be2O4Si1,800.0,166.021
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+Be2O4Si1,600.0,149.16
+Be2O4Si1,500.0,136.942
+Be2O4Si1,400.0,120.75
+Be2O4Si1,300.0,96.098
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+Br2Hg2,1400.0,125.14299999999999
+Br2Hg2,1300.0,124.209
+Br2Hg2,1200.0,123.47
+Br2Hg2,1100.0,122.539
+Br2Hg2,1000.0,121.545
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+B1H3O3,1300.0,177.653
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+B2Be3O6,2800.0,330.829
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+B2Be3O6,2600.0,327.105
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+B2Be3O6,2200.0,319.658
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+B2Be3O6,1500.0,304.553
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+Al1Cl1O1,2800.0,83.052
+Al1Cl1O1,2700.0,83.052
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+C1Mg1O3,800.0,122.256
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+Br1H4N1,1300.0,168.127
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+Br1H4N1,1100.0,154.102
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+Br1H4N1,411.0,92.844
+Br1H4N1,411.0,72.867
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+Ca1I2,500.0,81.17
+Ca1I2,400.0,79.161
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+Br4Mo1,700.0,140.844
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+Ba1Br2,1300.0,98.675
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+Ba1Br2,600.0,83.542
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+Be1O4S1,298.0,85.697
+Be1O4S1,2200.0,200.832
+Be1O4S1,2100.0,200.832
+Be1O4S1,2000.0,200.832
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+Cr1,1500.0,41.2
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+Cr1,900.0,30.500999999999998
+Cr1,800.0,29.434
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+S1,368.3,24.246
+S1,350.0,23.87
+S1,300.0,22.744
+S1,298.0,22.698
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+Sr1,1200.0,36.428000000000004
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+Ti1,1600.0,55.22
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+V1,2600.0,52.028
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+Zn1,900.0,32.716
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+Zn1,700.0,29.9
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+Zr1,1600.0,37.762
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+Zr1,400.0,25.935
+Zr1,350.0,25.605999999999998
+Zr1,298.0,25.201999999999998

cp_val.csv

@@ -0,0 +1,981 @@
+formula,T,Cp
+B2Mg1,1900.0,92.242
+B2Mg1,1800.0,90.249
+B2Mg1,1700.0,88.162
+B2Mg1,1600.0,85.98100000000002
+B2Mg1,1500.0,83.64299999999999
+B2Mg1,1400.0,81.17
+B2Mg1,1300.0,78.795
+B2Mg1,1200.0,76.442
+B2Mg1,1100.0,74.078
+B2Mg1,1000.0,71.714
+B2Mg1,900.0,69.16199999999999
+B2Mg1,800.0,66.52600000000001
+B2Mg1,700.0,64.015
+B2Mg1,600.0,61.379
+B2Mg1,500.0,58.409
+B2Mg1,400.0,54.391999999999996
+B2Mg1,300.0,47.865
+B2Mg1,298.0,47.823
+Br2Ca1,1400.0,103.387
+Br2Ca1,1300.0,99.412
+Br2Ca1,1200.0,95.56299999999999
+Br2Ca1,1100.0,91.92200000000001
+Br2Ca1,1015.0,89.036
+Br2Ca1,1000.0,88.617
+Br2Ca1,900.0,85.85600000000002
+Br2Ca1,800.0,83.471
+Br2Ca1,700.0,81.63
+Br2Ca1,600.0,80.5
+Br2Ca1,500.0,79.454
+Br2Ca1,400.0,77.99
+Br2Ca1,300.0,75.124
+Br2Ca1,298.0,75.04
+Al1N1,2900.0,51.845
+Al1N1,2800.0,51.806999999999995
+Al1N1,2700.0,51.765
+Al1N1,2600.0,51.718
+Al1N1,2500.0,51.666000000000004
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+Al1N1,2300.0,51.543
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+Al1N1,2100.0,51.385
+Al1N1,2000.0,51.29
+Al1N1,1900.0,51.18
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+Br2Ti1,1400.0,91.32
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+B1Ti1,3900.0,55.94
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+B1Ti1,3100.0,54.869
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+B1Ti1,2100.0,53.53
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+B1Ti1,300.0,29.916
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+Br2Pb1,900.0,101.62100000000001
+Br2Pb1,800.0,97.34100000000001
+Br2Pb1,700.0,93.061
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+B1,300.0,11.405
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+C0.98Nb1,2900.0,62.174
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+Cl1H4N1O4,1400.0,347.066
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+Ba1I2,298.0,77.488
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+Br1Na1,298.0,51.4
+Br1Na1,1900.0,72.645
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+Br1Na1,1700.0,69.925
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+Fe1O1,1900.0,65.79
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+F2H1K1,1900.0,100.249
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