instruction stringclasses 1
value | input stringlengths 178 510 | id stringlengths 6 9 | peak_text stringlengths 13 336 | output stringlengths 63 821 |
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Below is a description of a material. | The chemical formula is: Li6Br3N.
The Raman spectrum shows main peaks at: 193.2cm-1(0.02), 303.0cm-1(0.04), 336.4cm-1(0.07), 570.4cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-569085 | 193.2cm-1(0.02), 303.0cm-1(0.04), 336.4cm-1(0.07), 570.4cm-1(1.0) | 6.16 6.30 10.77
90 124 90
Li 0.704 0.571 0.300
Li 0.772 0.164 0.030
Li 0.228 0.836 0.970
Li 0.772 0.336 0.530
Li 0.228 0.664 0.470
Li 0.085 0.239 0.924
Li 0.296 0.071 0.200
Li 0.085 0.261 0.424
Li 0.296 0.429 0.700
Li 0.704 0.929 0.800
Li 0.915 0.761 0.076
Li 0.915 0.739 0.576
Br 0.747 0.522 0.741
Br 0.253 0.478 0.259
... |
Below is a description of a material. | The chemical formula is: NdAsO4.
The Raman spectrum shows main peaks at: 312.6cm-1(0.04), 350.8cm-1(0.05), 388.9cm-1(0.08), 408.0cm-1(0.08), 451.0cm-1(0.03), 770.9cm-1(0.11), 799.5cm-1(0.43), 823.4cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-556843 | 312.6cm-1(0.04), 350.8cm-1(0.05), 388.9cm-1(0.08), 408.0cm-1(0.08), 451.0cm-1(0.03), 770.9cm-1(0.11), 799.5cm-1(0.43), 823.4cm-1(1.0) | 6.66 7.09 8.25
90 126 90
Nd 0.185 0.152 0.781
Nd 0.815 0.848 0.219
Nd 0.815 0.652 0.719
Nd 0.185 0.348 0.281
As 0.310 0.838 0.197
As 0.690 0.338 0.303
As 0.310 0.662 0.697
As 0.690 0.162 0.803
O 0.391 0.212 0.615
O 0.609 0.788 0.385
O 0.171 0.495 0.746
O 0.650 0.393 0.482
O 0.609 0.712 0.885
O 0.171 0.005 0.246
O 0.829... |
Below is a description of a material. | The chemical formula is: CaC2.
The Raman spectrum shows main peaks at: 88.2cm-1(0.21), 178.9cm-1(0.05), 250.5cm-1(0.82), 312.6cm-1(1.0), 346.0cm-1(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-1575 | 88.2cm-1(0.21), 178.9cm-1(0.05), 250.5cm-1(0.82), 312.6cm-1(1.0), 346.0cm-1(0.18) | 3.85 3.85 7.29
103 103 64
C 0.854 0.575 0.939
C 0.425 0.146 0.561
C 0.575 0.854 0.439
C 0.146 0.425 0.061
Ca 0.171 0.829 0.750
Ca 0.829 0.171 0.250 |
Below is a description of a material. | The chemical formula is: AlBiTeCl4.
The Raman spectrum shows main peaks at: 93.0cm-1(0.32), 140.7cm-1(0.69), 183.7cm-1(0.11), 331.7cm-1(1.0), 441.5cm-1(0.56), 460.6cm-1(0.44), 498.7cm-1(0.71).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-628665 | 93.0cm-1(0.32), 140.7cm-1(0.69), 183.7cm-1(0.11), 331.7cm-1(1.0), 441.5cm-1(0.56), 460.6cm-1(0.44), 498.7cm-1(0.71) | 10.37 10.37 10.37
108 108 112
Al 0.121 0.349 0.376
Al 0.255 0.879 0.228
Al 0.651 0.027 0.772
Al 0.973 0.745 0.624
Bi 0.437 0.542 0.226
Bi 0.789 0.563 0.105
Bi 0.458 0.684 0.895
Bi 0.316 0.211 0.774
Te 0.695 0.795 0.215
Te 0.205 0.420 0.900
Te 0.580 0.479 0.785
Te 0.521 0.305 0.100
Cl 0.035 0.797 0.458
Cl 0.339 0.577 0.... |
Below is a description of a material. | The chemical formula is: RbCuO2.
The Raman spectrum shows main peaks at: 131.2cm-1(0.04), 250.5cm-1(0.11), 503.5cm-1(0.3), 608.5cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-7467 | 131.2cm-1(0.04), 250.5cm-1(0.11), 503.5cm-1(0.3), 608.5cm-1(1.0) | 6.37 6.37 5.43
90 90 135
O 0.103 0.897 0.496
O 0.897 0.103 0.504
O 0.103 0.897 0.004
O 0.897 0.103 0.996
Cu 0.002 0.998 0.750
Cu 0.998 0.002 0.250
Rb 0.690 0.310 0.250
Rb 0.310 0.690 0.750 |
Below is a description of a material. | The chemical formula is: SbAsO3.
The Raman spectrum shows main peaks at: 169.3cm-1(0.06), 202.8cm-1(0.05), 255.3cm-1(0.06), 326.9cm-1(0.04), 393.7cm-1(1.0), 575.1cm-1(0.09), 594.2cm-1(0.09), 708.8cm-1(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-28109 | 169.3cm-1(0.06), 202.8cm-1(0.05), 255.3cm-1(0.06), 326.9cm-1(0.04), 393.7cm-1(1.0), 575.1cm-1(0.09), 594.2cm-1(0.09), 708.8cm-1(0.06) | 4.46 12.89 6.67
90 125 90
O 0.868 0.638 0.461
O 0.132 0.138 0.039
O 0.132 0.362 0.539
O 0.868 0.862 0.961
O 0.540 0.910 0.179
O 0.460 0.410 0.321
O 0.460 0.090 0.821
O 0.540 0.590 0.679
O 0.375 0.792 0.446
O 0.625 0.292 0.054
O 0.625 0.208 0.554
O 0.375 0.708 0.946
As 0.228 0.909 0.267
As 0.772 0.409 0.233
As 0.772 0.0... |
Below is a description of a material. | The chemical formula is: Na6CdCl8.
The Raman spectrum shows main peaks at: 121.6cm-1(0.06), 174.1cm-1(0.32), 212.3cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-28022 | 121.6cm-1(0.06), 174.1cm-1(0.32), 212.3cm-1(1.0) | 7.91 7.91 7.91
60 60 60
Na 0.500 0.500 0.000
Na 0.000 0.500 0.000
Na 0.500 0.000 0.000
Na 0.000 0.500 0.500
Na 0.500 0.000 0.500
Na 0.000 0.000 0.500
Cl 0.765 0.235 0.765
Cl 0.250 0.250 0.250
Cl 0.750 0.750 0.750
Cl 0.235 0.765 0.235
Cl 0.235 0.765 0.765
Cl 0.765 0.235 0.235
Cl 0.765 0.765 0.235
Cl 0.235 0.235 0.765
Cd... |
Below is a description of a material. | The chemical formula is: GaSe.
The Raman spectrum shows main peaks at: 126.4cm-1(1.0), 202.8cm-1(0.15), 303.0cm-1(0.62).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-568263 | 126.4cm-1(1.0), 202.8cm-1(0.15), 303.0cm-1(0.62) | 3.75 3.75 32.31
90 90 120
Ga 0.333 0.667 0.787
Ga 0.000 0.000 0.461
Ga 0.667 0.333 0.287
Ga 0.000 0.000 0.961
Ga 0.333 0.667 0.712
Ga 0.667 0.333 0.212
Ga 0.000 0.000 0.036
Ga 0.000 0.000 0.536
Se 0.000 0.000 0.323
Se 0.667 0.333 0.073
Se 0.667 0.333 0.925
Se 0.000 0.000 0.675
Se 0.000 0.000 0.823
Se 0.333 0.667 0.425
... |
Below is a description of a material. | The chemical formula is: Ba2Si5N8.
The Raman spectrum shows main peaks at: 83.4cm-1(0.14), 131.2cm-1(0.1), 159.8cm-1(0.14), 226.6cm-1(0.12), 274.4cm-1(0.31), 312.6cm-1(0.11), 369.8cm-1(0.56), 388.9cm-1(0.15), 451.0cm-1(0.36), 484.4cm-1(0.25), 522.6cm-1(0.08), 541.7cm-1(0.13), 575.1cm-1(0.23), 613.3cm-1(0.72), 684.9cm-1... | mp-9711 | 83.4cm-1(0.14), 131.2cm-1(0.1), 159.8cm-1(0.14), 226.6cm-1(0.12), 274.4cm-1(0.31), 312.6cm-1(0.11), 369.8cm-1(0.56), 388.9cm-1(0.15), 451.0cm-1(0.36), 484.4cm-1(0.25), 522.6cm-1(0.08), 541.7cm-1(0.13), 575.1cm-1(0.23), 613.3cm-1(0.72), 684.9cm-1(1.0), 727.9cm-1(0.21), 766.1cm-1(0.57), 842.5cm-1(0.48), 918.8cm-1(0.4), 9... | 5.78 6.98 9.39
90 90 90
N 0.500 0.080 0.230
N 0.000 0.920 0.730
N 0.500 0.326 0.664
N 0.000 0.674 0.164
N 0.500 0.924 0.736
N 0.000 0.076 0.236
N 0.747 0.054 0.493
N 0.753 0.946 0.993
N 0.253 0.054 0.493
N 0.247 0.946 0.993
N 0.740 0.594 0.831
N 0.760 0.406 0.331
N 0.260 0.594 0.831
N 0.240 0.406 0.331
N 0.000 0.698 0.... |
Below is a description of a material. | The chemical formula is: TiO2.
The Raman spectrum shows main peaks at: 145.5cm-1(0.26), 231.4cm-1(0.17), 283.9cm-1(0.12), 303.0cm-1(0.23), 355.5cm-1(0.16), 403.3cm-1(0.09), 451.0cm-1(0.23), 494.0cm-1(0.13), 541.7cm-1(0.52), 560.8cm-1(0.2), 603.8cm-1(0.18), 632.4cm-1(1.0), 794.7cm-1(0.04).
Generate atomic structure desc... | mp-1840 | 145.5cm-1(0.26), 231.4cm-1(0.17), 283.9cm-1(0.12), 303.0cm-1(0.23), 355.5cm-1(0.16), 403.3cm-1(0.09), 451.0cm-1(0.23), 494.0cm-1(0.13), 541.7cm-1(0.52), 560.8cm-1(0.2), 603.8cm-1(0.18), 632.4cm-1(1.0), 794.7cm-1(0.04) | 5.13 9.18 5.45
90 90 90
O 0.465 0.270 0.391
O 0.965 0.230 0.609
O 0.035 0.730 0.891
O 0.535 0.770 0.109
O 0.535 0.730 0.609
O 0.035 0.770 0.391
O 0.965 0.270 0.109
O 0.465 0.230 0.891
O 0.815 0.010 0.851
O 0.315 0.490 0.149
O 0.685 0.990 0.351
O 0.185 0.510 0.649
O 0.185 0.990 0.149
O 0.685 0.510 0.851
O 0.315 0.010 0.... |
Below is a description of a material. | The chemical formula is: BaYCuTe3.
The Raman spectrum shows main peaks at: 54.8cm-1(0.25), 140.7cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-10336 | 54.8cm-1(0.25), 140.7cm-1(1.0) | 7.63 7.63 11.25
90 90 146
Cu 0.533 0.467 0.750
Cu 0.467 0.533 0.250
Y 0.000 0.000 0.500
Y 0.000 0.000 0.000
Te 0.638 0.362 0.939
Te 0.070 0.930 0.250
Te 0.362 0.638 0.439
Te 0.362 0.638 0.061
Te 0.638 0.362 0.561
Te 0.930 0.070 0.750
Ba 0.750 0.250 0.250
Ba 0.250 0.750 0.750 |
Below is a description of a material. | The chemical formula is: CsICl2.
The Raman spectrum shows main peaks at: 88.2cm-1(0.3), 264.8cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-22990 | 88.2cm-1(0.3), 264.8cm-1(1.0) | 5.46 5.46 5.46
69 69 69
Cl 0.706 0.706 0.706
Cl 0.294 0.294 0.294
I 0.500 0.500 0.500
Cs 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Tl4HgBr6.
The Raman spectrum shows main peaks at: 69.1cm-1(0.08), 93.0cm-1(0.08), 145.5cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-27293 | 69.1cm-1(0.08), 93.0cm-1(0.08), 145.5cm-1(1.0) | 8.67 8.67 8.80
90 90 90
Br 0.358 0.182 0.500
Br 0.642 0.818 0.500
Br 0.182 0.642 0.500
Br 0.818 0.358 0.500
Br 0.682 0.858 0.000
Br 0.142 0.682 0.000
Br 0.858 0.318 0.000
Br 0.318 0.142 0.000
Br 0.500 0.500 0.793
Br 0.000 0.000 0.707
Br 0.000 0.000 0.293
Br 0.500 0.500 0.207
Hg 0.000 0.000 0.000
Hg 0.500 0.500 0.500
Tl... |
Below is a description of a material. | The chemical formula is: K2Dy4Cu4Se9.
The Raman spectrum shows main peaks at: 73.9cm-1(0.34), 107.3cm-1(0.2), 121.6cm-1(0.13), 159.8cm-1(0.29), 193.2cm-1(1.0), 221.9cm-1(0.27).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-977368 | 73.9cm-1(0.34), 107.3cm-1(0.2), 121.6cm-1(0.13), 159.8cm-1(0.29), 193.2cm-1(1.0), 221.9cm-1(0.27) | 7.32 7.32 16.18
108 108 32
K 0.033 0.033 0.271
K 0.967 0.967 0.729
Dy 0.231 0.231 0.103
Dy 0.345 0.345 0.444
Dy 0.655 0.655 0.556
Dy 0.769 0.769 0.897
Cu 0.423 0.423 0.028
Cu 0.758 0.758 0.269
Cu 0.242 0.242 0.731
Cu 0.577 0.577 0.972
Se 0.866 0.866 0.079
Se 0.605 0.605 0.130
Se 0.356 0.356 0.276
Se 0.699 0.699 0.395
S... |
Below is a description of a material. | The chemical formula is: K2PAu.
The Raman spectrum shows main peaks at: 102.5cm-1(0.09), 150.3cm-1(0.07), 164.6cm-1(0.1), 264.8cm-1(0.16), 322.1cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-9687 | 102.5cm-1(0.09), 150.3cm-1(0.07), 164.6cm-1(0.1), 264.8cm-1(0.16), 322.1cm-1(1.0) | 6.10 6.10 6.19
90 90 73
P 0.748 0.252 0.750
P 0.252 0.748 0.250
K 0.681 0.973 0.250
K 0.319 0.027 0.750
K 0.973 0.681 0.750
K 0.027 0.319 0.250
Au 0.500 0.500 0.000
Au 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: RbBiO2.
The Raman spectrum shows main peaks at: 121.6cm-1(0.04), 202.8cm-1(0.02), 474.9cm-1(0.3), 513.1cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-29521 | 121.6cm-1(0.04), 202.8cm-1(0.02), 474.9cm-1(0.3), 513.1cm-1(1.0) | 5.85 5.85 6.00
112 112 92
O 0.753 0.877 0.787
O 0.123 0.247 0.713
O 0.877 0.753 0.287
O 0.247 0.123 0.213
Rb 0.365 0.635 0.250
Rb 0.635 0.365 0.750
Bi 0.097 0.903 0.750
Bi 0.903 0.097 0.250 |
Below is a description of a material. | The chemical formula is: TbLiO2.
The Raman spectrum shows main peaks at: 150.3cm-1(0.05), 283.9cm-1(0.26), 312.6cm-1(0.07), 355.5cm-1(0.24), 374.6cm-1(0.68), 388.9cm-1(0.74), 494.0cm-1(1.0), 670.6cm-1(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-7137 | 150.3cm-1(0.05), 283.9cm-1(0.26), 312.6cm-1(0.07), 355.5cm-1(0.24), 374.6cm-1(0.68), 388.9cm-1(0.74), 494.0cm-1(1.0), 670.6cm-1(0.05) | 11.16 3.37 5.27
90 90 90
Li 0.067 0.250 0.097
Li 0.933 0.750 0.903
Li 0.433 0.750 0.597
Li 0.567 0.250 0.403
O 0.205 0.250 0.308
O 0.795 0.750 0.692
O 0.295 0.750 0.808
O 0.705 0.250 0.192
O 0.526 0.250 0.758
O 0.474 0.750 0.242
O 0.974 0.750 0.258
O 0.026 0.250 0.742
Tb 0.860 0.250 0.452
Tb 0.140 0.750 0.548
Tb 0.640 ... |
Below is a description of a material. | The chemical formula is: Li2CdSiO4.
The Raman spectrum shows main peaks at: 159.8cm-1(0.31), 212.3cm-1(0.06), 307.8cm-1(0.35), 341.2cm-1(0.3), 384.2cm-1(1.0), 408.0cm-1(0.36).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-557293 | 159.8cm-1(0.31), 212.3cm-1(0.06), 307.8cm-1(0.35), 341.2cm-1(0.3), 384.2cm-1(1.0), 408.0cm-1(0.36) | 10.71 6.47 5.12
90 90 90
Li 0.588 0.000 0.827
Li 0.912 1.000 0.327
Li 0.412 0.500 0.173
Li 0.912 0.500 0.327
Li 0.412 1.000 0.173
Li 0.588 0.500 0.827
Li 0.088 0.000 0.673
Li 0.088 0.500 0.673
Cd 0.337 0.750 0.672
Cd 0.163 0.250 0.172
Cd 0.837 0.750 0.828
Cd 0.663 0.250 0.328
Si 0.342 0.250 0.667
Si 0.158 0.750 0.167
S... |
Below is a description of a material. | The chemical formula is: Be4TeO7.
The Raman spectrum shows main peaks at: 369.8cm-1(0.07), 565.6cm-1(0.06), 789.9cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-27608 | 369.8cm-1(0.07), 565.6cm-1(0.06), 789.9cm-1(1.0) | 5.38 5.38 5.38
60 60 60
Be 0.627 0.627 0.627
Be 0.627 0.119 0.627
Be 0.627 0.627 0.119
Be 0.119 0.627 0.627
O 0.750 0.750 0.750
O 0.746 0.254 0.254
O 0.254 0.254 0.746
O 0.746 0.746 0.254
O 0.254 0.746 0.746
O 0.254 0.746 0.254
O 0.746 0.254 0.746
Te 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: HgPb2Cl2O2.
The Raman spectrum shows main peaks at: 88.2cm-1(0.42), 112.1cm-1(0.25), 135.9cm-1(0.17), 293.5cm-1(0.32), 307.8cm-1(0.56), 522.6cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-546862 | 88.2cm-1(0.42), 112.1cm-1(0.25), 135.9cm-1(0.17), 293.5cm-1(0.32), 307.8cm-1(0.56), 522.6cm-1(1.0) | 6.24 6.24 7.87
121 121 36
Cl 0.440 0.440 0.166
Cl 0.560 0.560 0.834
Pb 0.824 0.824 0.747
Pb 0.176 0.176 0.253
O 0.193 0.193 0.565
O 0.807 0.807 0.435
Hg -0.000 1.000 0.500 |
Below is a description of a material. | The chemical formula is: TlIn3S5.
The Raman spectrum shows main peaks at: 83.4cm-1(0.06), 131.2cm-1(0.11), 178.9cm-1(0.29), 207.5cm-1(0.39), 236.2cm-1(0.32), 269.6cm-1(1.0), 288.7cm-1(0.91), 312.6cm-1(0.46), 331.7cm-1(0.25).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-572596 | 83.4cm-1(0.06), 131.2cm-1(0.11), 178.9cm-1(0.29), 207.5cm-1(0.39), 236.2cm-1(0.32), 269.6cm-1(1.0), 288.7cm-1(0.91), 312.6cm-1(0.46), 331.7cm-1(0.25) | 10.23 10.23 12.81
120 120 21
Tl 0.761 0.761 0.197
Tl 0.239 0.239 0.803
In 0.663 0.663 0.400
In 0.451 0.451 0.194
In 0.549 0.549 0.806
In 0.337 0.337 0.600
In -0.000 -0.000 0.500
In -0.000 -0.000 1.000
S 0.435 0.435 0.844
S 0.931 0.931 0.618
S 0.241 0.241 0.370
S 0.409 0.409 0.344
S 0.759 0.759 0.630
S 0.591 0.591 0.656... |
Below is a description of a material. | The chemical formula is: CaCN2.
The Raman spectrum shows main peaks at: 250.5cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-4124 | 250.5cm-1(1.0) | 5.36 5.36 5.36
39 39 39
C 0.500 0.500 0.500
N 0.416 0.416 0.416
N 0.584 0.584 0.584
Ca -0.000 1.000 1.000 |
Below is a description of a material. | The chemical formula is: ZnAsHPbO5.
The Raman spectrum shows main peaks at: 503.5cm-1(0.04), 723.1cm-1(0.55).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-510279 | 503.5cm-1(0.04), 723.1cm-1(0.55) | 6.10 7.60 9.32
90 90 90
Pb 0.032 0.372 0.174
Pb 0.532 0.128 0.826
Pb 0.968 0.872 0.326
Pb 0.468 0.628 0.674
As 0.988 0.374 0.815
As 0.488 0.126 0.185
As 0.012 0.874 0.685
As 0.512 0.626 0.315
Zn 0.235 0.230 0.510
Zn 0.735 0.270 0.490
Zn 0.765 0.730 0.990
Zn 0.265 0.770 0.010
O 0.492 0.446 0.425
O 0.992 0.054 0.575
O 0.... |
Below is a description of a material. | The chemical formula is: Li2ZnBr4.
The Raman spectrum shows main peaks at: 73.9cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-28829 | 73.9cm-1(1.0) | 13.46 7.78 6.38
90 90 90
Li 0.000 0.500 0.500
Li 0.500 0.500 0.000
Li 0.000 0.000 0.500
Li 0.500 0.000 0.000
Li 0.265 0.250 0.499
Li 0.235 0.750 0.999
Li 0.735 0.750 0.501
Li 0.765 0.250 0.001
Zn 0.087 0.250 0.092
Zn 0.413 0.750 0.592
Zn 0.913 0.750 0.908
Zn 0.587 0.250 0.408
Br 0.089 0.250 0.720
Br 0.411 0.750 0.220
B... |
Below is a description of a material. | The chemical formula is: KP.
The Raman spectrum shows main peaks at: 88.2cm-1(0.16), 126.4cm-1(0.42), 135.9cm-1(0.52), 178.9cm-1(0.33), 202.8cm-1(0.26), 245.7cm-1(0.66), 331.7cm-1(0.35), 350.8cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-7441 | 88.2cm-1(0.16), 126.4cm-1(0.42), 135.9cm-1(0.52), 178.9cm-1(0.33), 202.8cm-1(0.26), 245.7cm-1(0.66), 331.7cm-1(0.35), 350.8cm-1(1.0) | 6.03 6.52 11.28
90 90 90
P 0.167 0.687 0.102
P 0.667 0.813 0.898
P 0.833 0.187 0.398
P 0.333 0.313 0.602
P 0.906 0.581 0.971
P 0.406 0.919 0.029
P 0.094 0.081 0.529
P 0.594 0.419 0.471
K 0.398 0.382 0.916
K 0.898 0.118 0.084
K 0.602 0.882 0.584
K 0.102 0.618 0.416
K 0.666 0.651 0.219
K 0.166 0.849 0.781
K 0.334 0.151 0... |
Below is a description of a material. | The chemical formula is: K2NbCuSe4.
The Raman spectrum shows main peaks at: 102.5cm-1(0.14), 155.0cm-1(0.14), 250.5cm-1(1.0), 322.1cm-1(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-9003 | 102.5cm-1(0.14), 155.0cm-1(0.14), 250.5cm-1(1.0), 322.1cm-1(0.13) | 13.64 12.22 7.27
84 63 32
K 0.180 0.180 0.820
K 0.820 0.820 0.180
K 0.070 0.070 0.430
K 0.430 0.430 0.070
Cu 0.750 0.750 0.750
Cu 0.500 0.500 0.500
Se 0.839 0.545 0.452
Se 0.545 0.839 0.163
Se 0.411 0.705 0.798
Se 0.087 0.798 0.705
Se 0.798 0.087 0.411
Se 0.705 0.411 0.087
Se 0.452 0.163 0.839
Se 0.163 0.452 0.545
Nb 0... |
Below is a description of a material. | The chemical formula is: BiOF.
The Raman spectrum shows main peaks at: 64.3cm-1(0.07), 140.7cm-1(1.0), 178.9cm-1(0.13), 231.4cm-1(0.33), 379.4cm-1(0.65), 441.5cm-1(0.55).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-759883 | 64.3cm-1(0.07), 140.7cm-1(1.0), 178.9cm-1(0.13), 231.4cm-1(0.33), 379.4cm-1(0.65), 441.5cm-1(0.55) | 7.09 7.09 7.09
32 32 32
Bi 0.760 0.760 0.760
Bi 0.240 0.240 0.240
O 0.128 0.128 0.128
O 0.872 0.872 0.872
F 0.377 0.377 0.377
F 0.623 0.623 0.623 |
Below is a description of a material. | The chemical formula is: Ba2NdBiO6.
The Raman spectrum shows main peaks at: 326.9cm-1(0.03), 527.4cm-1(0.11), 661.1cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-546321 | 326.9cm-1(0.03), 527.4cm-1(0.11), 661.1cm-1(1.0) | 6.15 6.15 6.22
119 119 60
O 0.262 0.262 0.688
O 0.738 0.738 0.312
O 0.299 0.783 0.803
O 0.701 0.217 0.197
O 0.217 0.701 0.197
O 0.783 0.299 0.803
Ba 0.752 0.752 0.760
Ba 0.248 0.248 0.240
Nd 1.000 0.000 0.500
Bi 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Cs2PtBr6.
The Raman spectrum shows main peaks at: 97.7cm-1(0.26), 188.4cm-1(0.29), 202.8cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-30062 | 97.7cm-1(0.26), 188.4cm-1(0.29), 202.8cm-1(1.0) | 7.50 7.50 7.50
60 60 60
Br 0.233 0.767 0.767
Br 0.233 0.767 0.233
Br 0.767 0.233 0.767
Br 0.767 0.233 0.233
Br 0.767 0.767 0.233
Br 0.233 0.233 0.767
Cs 0.750 0.750 0.750
Cs 0.250 0.250 0.250
Pt 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: K2ZnF4.
The Raman spectrum shows main peaks at: 150.3cm-1(0.05), 178.9cm-1(0.07), 355.5cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-9583 | 150.3cm-1(0.05), 178.9cm-1(0.07), 355.5cm-1(1.0) | 7.17 7.17 7.17
146 146 47
F 0.500 0.000 0.500
F 0.000 0.500 0.500
F 0.154 0.154 0.000
F 0.846 0.846 0.000
K 0.645 0.645 0.000
K 0.355 0.355 0.000
Zn 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: KNdGeS4.
The Raman spectrum shows main peaks at: 193.2cm-1(0.05), 236.2cm-1(0.13), 365.1cm-1(1.0), 388.9cm-1(0.33), 408.0cm-1(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-861866 | 193.2cm-1(0.05), 236.2cm-1(0.13), 365.1cm-1(1.0), 388.9cm-1(0.33), 408.0cm-1(0.17) | 6.55 6.67 8.68
90 107 90
K 0.267 0.010 0.565
K 0.733 0.510 0.435
Nd 0.772 0.496 0.948
Nd 0.228 0.996 0.052
Ge 0.221 0.526 0.821
Ge 0.779 0.026 0.179
S 0.421 0.529 0.660
S 0.974 0.766 0.774
S 0.017 0.255 0.790
S 0.578 0.086 0.927
S 0.422 0.586 0.073
S 0.983 0.755 0.210
S 0.026 0.266 0.226
S 0.579 0.029 0.340 |
Below is a description of a material. | The chemical formula is: K3SnSe3.
The Raman spectrum shows main peaks at: 83.4cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-541875 | 83.4cm-1(1.0) | 9.05 12.79 8.91
90 115 90
Sn 0.659 0.008 0.630
Sn 0.341 0.508 0.870
Sn 0.341 0.992 0.370
Sn 0.659 0.492 0.130
Se 0.759 0.192 0.622
Se 0.241 0.692 0.878
Se 0.241 0.808 0.378
Se 0.759 0.308 0.122
Se 0.648 0.972 0.904
Se 0.352 0.472 0.596
Se 0.352 0.028 0.096
Se 0.648 0.528 0.404
Se 0.829 0.870 0.573
Se 0.171 0.370 0.927
... |
Below is a description of a material. | The chemical formula is: Y2CN2O2.
The Raman spectrum shows main peaks at: 121.6cm-1(0.09), 221.9cm-1(1.0), 250.5cm-1(0.15), 479.6cm-1(0.9).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-546864 | 121.6cm-1(0.09), 221.9cm-1(1.0), 250.5cm-1(0.15), 479.6cm-1(0.9) | 3.69 3.69 8.13
90 90 120
Y 0.667 0.333 0.677
Y 0.333 0.667 0.323
O 0.667 0.333 0.397
O 0.333 0.667 0.603
C 0.000 0.000 0.000
N 0.000 0.000 0.152
N 0.000 0.000 0.848 |
Below is a description of a material. | The chemical formula is: SrTeO3.
The Raman spectrum shows main peaks at: 279.1cm-1(0.03), 326.9cm-1(0.03), 661.1cm-1(0.14), 675.4cm-1(0.34), 689.7cm-1(0.16), 723.1cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-972117 | 279.1cm-1(0.03), 326.9cm-1(0.03), 661.1cm-1(0.14), 675.4cm-1(0.34), 689.7cm-1(0.16), 723.1cm-1(1.0) | 6.74 7.19 8.51
90 125 90
Sr 0.638 0.373 0.369
Sr 0.362 0.873 0.131
Sr 0.362 0.627 0.631
Sr 0.638 0.127 0.869
Te 0.123 0.172 0.402
Te 0.877 0.672 0.098
Te 0.877 0.828 0.598
Te 0.123 0.328 0.902
O 0.416 0.189 0.025
O 0.584 0.689 0.475
O 0.584 0.811 0.975
O 0.416 0.311 0.525
O 0.096 0.084 0.181
O 0.904 0.584 0.319
O 0.904... |
Below is a description of a material. | The chemical formula is: LaInO3.
The Raman spectrum shows main peaks at: 178.9cm-1(0.18), 198.0cm-1(0.14), 236.2cm-1(0.18), 264.8cm-1(0.25), 307.8cm-1(0.29), 360.3cm-1(0.67), 374.6cm-1(1.0), 412.8cm-1(0.18), 474.9cm-1(0.04).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-11623 | 178.9cm-1(0.18), 198.0cm-1(0.14), 236.2cm-1(0.18), 264.8cm-1(0.25), 307.8cm-1(0.29), 360.3cm-1(0.67), 374.6cm-1(1.0), 412.8cm-1(0.18), 474.9cm-1(0.04) | 5.95 8.22 5.70
90 90 90
O 0.548 0.250 0.118
O 0.952 0.750 0.618
O 0.048 0.250 0.382
O 0.452 0.750 0.882
O 0.697 0.062 0.695
O 0.803 0.938 0.195
O 0.197 0.438 0.805
O 0.303 0.562 0.305
O 0.303 0.938 0.305
O 0.197 0.062 0.805
O 0.803 0.562 0.195
O 0.697 0.438 0.695
In 0.500 0.000 0.000
In 0.000 0.000 0.500
In 0.000 0.500... |
Below is a description of a material. | The chemical formula is: SrTh2Se5.
The Raman spectrum shows main peaks at: 97.7cm-1(0.62), 121.6cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-17282 | 97.7cm-1(0.62), 121.6cm-1(1.0) | 8.70 7.84 12.38
90 90 90
Se 0.546 0.163 0.099
Se 0.725 0.172 0.813
Se 0.725 0.328 0.313
Se 0.275 0.828 0.187
Se 0.276 0.461 0.001
Se 0.724 0.961 0.499
Se 0.724 0.539 0.999
Se 0.276 0.039 0.501
Se 0.737 0.802 0.219
Se 0.263 0.302 0.281
Se 0.263 0.198 0.781
Se 0.546 0.337 0.599
Se 0.955 0.175 0.088
Se 0.045 0.675 0.412
S... |
Below is a description of a material. | The chemical formula is: CsBr3.
The Raman spectrum shows main peaks at: 69.1cm-1(0.18), 150.3cm-1(1.0), 198.0cm-1(0.52), 212.3cm-1(0.32).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-27641 | 69.1cm-1(0.18), 150.3cm-1(1.0), 198.0cm-1(0.52), 212.3cm-1(0.32) | 9.87 6.54 9.52
90 90 90
Cs 0.185 0.750 0.460
Cs 0.815 0.250 0.540
Cs 0.315 0.250 0.960
Cs 0.685 0.750 0.040
Br 0.825 0.750 0.383
Br 0.175 0.250 0.617
Br 0.675 0.250 0.883
Br 0.325 0.750 0.117
Br 0.627 0.750 0.565
Br 0.373 0.250 0.435
Br 0.873 0.250 0.065
Br 0.127 0.750 0.935
Br 0.440 0.750 0.742
Br 0.560 0.250 0.258
Br... |
Below is a description of a material. | The chemical formula is: Ba2TlH7O7.
The Raman spectrum shows main peaks at: 174.1cm-1(0.1), 269.6cm-1(1.0), 283.9cm-1(0.73).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-757586 | 174.1cm-1(0.1), 269.6cm-1(1.0), 283.9cm-1(0.73) | 6.73 6.73 10.40
97 97 58
Ba 0.568 0.193 0.371
Ba 0.193 0.568 0.871
Ba 0.807 0.432 0.129
Ba 0.432 0.807 0.629
Tl 1.000 0.500 0.500
Tl 0.500 -0.000 1.000
H 0.910 0.884 0.120
H 0.307 0.425 0.153
H 0.039 0.688 0.293
H 0.884 0.910 0.620
H 0.425 0.307 0.653
H 0.688 0.039 0.793
H 0.312 0.961 0.207
H 0.575 0.693 0.347
H 0.116 ... |
Below is a description of a material. | The chemical formula is: Mg3BN3.
The Raman spectrum shows main peaks at: 417.6cm-1(1.0), 570.4cm-1(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-28955 | 417.6cm-1(1.0), 570.4cm-1(0.23) | 3.54 3.54 16.04
90 90 120
Mg 0.000 0.000 0.250
Mg 0.000 0.000 0.750
Mg 0.667 0.333 0.123
Mg 0.333 0.667 0.623
Mg 0.333 0.667 0.877
Mg 0.667 0.333 0.377
N 0.667 0.333 0.250
N 0.333 0.667 0.750
N 0.000 0.000 0.084
N 0.000 0.000 0.584
N 0.000 0.000 0.916
N 0.000 0.000 0.416
B 0.000 0.000 0.000
B 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: TlIO3.
The Raman spectrum shows main peaks at: 642.0cm-1(0.48), 689.7cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-22981 | 642.0cm-1(0.48), 689.7cm-1(1.0) | 4.44 4.44 4.44
88 88 88
O 0.912 0.460 0.460
O 0.460 0.912 0.460
O 0.460 0.460 0.912
I 0.500 0.500 0.500
Tl 0.005 0.005 0.005 |
Below is a description of a material. | The chemical formula is: Pd2Cl2O.
The Raman spectrum shows main peaks at: 274.4cm-1(1.0), 503.5cm-1(0.03), 560.8cm-1(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-28323 | 274.4cm-1(1.0), 503.5cm-1(0.03), 560.8cm-1(0.06) | 6.64 6.64 6.64
123 123 84
O 1.000 1.000 1.000
O 0.750 0.250 0.500
Cl 0.703 0.703 1.000
Cl 0.453 0.953 0.500
Cl 0.297 0.297 1.000
Cl 0.047 0.547 0.500
Pd 0.375 0.125 0.250
Pd 0.875 0.125 0.250
Pd 0.875 0.625 0.750
Pd 0.875 0.125 0.750 |
Below is a description of a material. | The chemical formula is: Sr2TiO4.
The Raman spectrum shows main peaks at: 202.8cm-1(0.08), 264.8cm-1(0.03), 556.0cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-5532 | 202.8cm-1(0.08), 264.8cm-1(0.03), 556.0cm-1(1.0) | 6.84 6.84 6.84
147 147 47
O 0.841 0.841 -0.000
O 0.159 0.159 0.000
O 0.500 0.000 0.500
O 0.000 0.500 0.500
Ti 0.000 0.000 0.000
Sr 0.645 0.645 -0.000
Sr 0.355 0.355 0.000 |
Below is a description of a material. | The chemical formula is: Ho2CdSe4.
The Raman spectrum shows main peaks at: 83.4cm-1(0.21), 126.4cm-1(0.83), 145.5cm-1(0.28), 188.4cm-1(0.29), 202.8cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-4284 | 83.4cm-1(0.21), 126.4cm-1(0.83), 145.5cm-1(0.28), 188.4cm-1(0.29), 202.8cm-1(1.0) | 8.18 8.18 8.18
60 60 60
Se 0.855 0.382 0.382
Se 0.868 0.868 0.868
Se 0.868 0.868 0.395
Se 0.868 0.395 0.868
Se 0.382 0.382 0.855
Se 0.382 0.855 0.382
Se 0.395 0.868 0.868
Se 0.382 0.382 0.382
Cd 0.000 0.000 0.000
Cd 0.250 0.250 0.250
Ho 0.625 0.625 0.625
Ho 0.125 0.625 0.625
Ho 0.625 0.125 0.625
Ho 0.625 0.625 0.125 |
Below is a description of a material. | The chemical formula is: NdZnAsO.
The Raman spectrum shows main peaks at: 88.2cm-1(0.26), 126.4cm-1(0.09), 188.4cm-1(0.48), 346.0cm-1(1.0), 479.6cm-1(0.69).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-7061 | 88.2cm-1(0.26), 126.4cm-1(0.09), 188.4cm-1(0.48), 346.0cm-1(1.0), 479.6cm-1(0.69) | 4.01 4.01 8.89
90 90 90
O 0.500 0.500 0.000
O 0.000 0.000 0.000
Zn 0.000 0.000 0.500
Zn 0.500 0.500 0.500
As 0.500 0.000 0.677
As 0.000 0.500 0.323
Nd 0.000 0.500 0.868
Nd 0.500 0.000 0.132 |
Below is a description of a material. | The chemical formula is: RbBS3.
The Raman spectrum shows main peaks at: 317.3cm-1(0.03), 379.4cm-1(0.08), 479.6cm-1(1.0), 622.9cm-1(0.08), 646.7cm-1(0.06), 689.7cm-1(0.03), 742.2cm-1(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-9047 | 317.3cm-1(0.03), 379.4cm-1(0.08), 479.6cm-1(1.0), 622.9cm-1(0.08), 646.7cm-1(0.06), 689.7cm-1(0.03), 742.2cm-1(0.07) | 7.08 11.78 5.79
90 105 90
B 0.713 0.231 0.689
B 0.287 0.731 0.811
B 0.287 0.769 0.311
B 0.713 0.269 0.189
S 0.940 0.178 0.175
S 0.060 0.678 0.325
S 0.060 0.822 0.825
S 0.940 0.322 0.675
S 0.815 0.404 0.354
S 0.185 0.904 0.146
S 0.185 0.596 0.646
S 0.815 0.096 0.854
S 0.560 0.195 0.377
S 0.440 0.695 0.123
S 0.440 0.805 ... |
Below is a description of a material. | The chemical formula is: CaZrSi2O7.
The Raman spectrum shows main peaks at: 88.2cm-1(0.06), 145.5cm-1(0.03), 193.2cm-1(0.04), 226.6cm-1(0.04), 255.3cm-1(0.1), 350.8cm-1(0.51), 365.1cm-1(0.25), 412.8cm-1(0.05), 474.9cm-1(0.66), 508.3cm-1(0.11), 532.2cm-1(0.15), 560.8cm-1(0.69), 651.5cm-1(1.0), 842.5cm-1(0.09), 871.1cm-1... | mp-7079 | 88.2cm-1(0.06), 145.5cm-1(0.03), 193.2cm-1(0.04), 226.6cm-1(0.04), 255.3cm-1(0.1), 350.8cm-1(0.51), 365.1cm-1(0.25), 412.8cm-1(0.05), 474.9cm-1(0.66), 508.3cm-1(0.11), 532.2cm-1(0.15), 560.8cm-1(0.69), 651.5cm-1(1.0), 842.5cm-1(0.09), 871.1cm-1(0.31), 895.0cm-1(0.29) | 5.52 5.52 4.70
97 97 103
O 0.412 0.116 0.711
O 0.884 0.588 0.289
O 0.038 0.348 0.734
O 0.652 0.962 0.266
O 0.058 0.942 0.000
O 0.622 0.621 0.779
O 0.379 0.378 0.221
Si 0.222 0.208 0.918
Si 0.792 0.778 0.082
Ca 0.294 0.706 0.500
Zr 0.685 0.315 0.500 |
Below is a description of a material. | The chemical formula is: TbTlSe2.
The Raman spectrum shows main peaks at: 131.2cm-1(0.12), 159.8cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-569507 | 131.2cm-1(0.12), 159.8cm-1(1.0) | 7.96 7.96 7.96
29 29 29
Tb 0.000 0.000 0.000
Tl 0.500 0.500 0.500
Se 0.736 0.736 0.736
Se 0.264 0.264 0.264 |
Below is a description of a material. | The chemical formula is: PbI2.
The Raman spectrum shows main peaks at: 93.0cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-22893 | 93.0cm-1(1.0) | 4.53 4.53 6.97
90 90 120
I 0.333 0.667 0.268
I 0.667 0.333 0.732
Pb 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ba2YTaO6.
The Raman spectrum shows main peaks at: 102.5cm-1(0.11), 121.6cm-1(0.07), 369.8cm-1(0.62), 570.4cm-1(0.17), 804.3cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-12385 | 102.5cm-1(0.11), 121.6cm-1(0.07), 369.8cm-1(0.62), 570.4cm-1(0.17), 804.3cm-1(1.0) | 5.96 5.96 5.96
120 120 89
O 0.292 0.236 0.528
O 0.236 0.708 0.944
O 0.764 0.292 0.056
O 0.708 0.764 0.472
O 0.264 0.264 0.000
O 0.736 0.736 1.000
Y 0.000 0.000 0.000
Ba 0.750 0.250 0.500
Ba 0.250 0.750 0.500
Ta 0.500 0.500 1.000 |
Below is a description of a material. | The chemical formula is: BaPdCl4.
The Raman spectrum shows main peaks at: 73.9cm-1(0.24), 93.0cm-1(0.33), 121.6cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-30102 | 73.9cm-1(0.24), 93.0cm-1(0.33), 121.6cm-1(1.0) | 6.80 12.38 7.52
90 90 90
Cl 0.890 0.326 0.469
Cl 0.390 0.174 0.531
Cl 0.610 0.174 0.969
Cl 0.110 0.326 0.031
Cl 0.110 0.674 0.531
Cl 0.610 0.826 0.469
Cl 0.390 0.826 0.031
Cl 0.890 0.674 0.969
Cl 0.794 0.935 0.897
Cl 0.294 0.565 0.103
Cl 0.706 0.565 0.397
Cl 0.206 0.935 0.603
Cl 0.206 0.065 0.103
Cl 0.706 0.435 0.897
C... |
Below is a description of a material. | The chemical formula is: SrSbF5.
The Raman spectrum shows main peaks at: 131.2cm-1(0.14), 155.0cm-1(0.14), 178.9cm-1(0.27), 198.0cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-16903 | 131.2cm-1(0.14), 155.0cm-1(0.14), 178.9cm-1(0.27), 198.0cm-1(1.0) | 4.37 8.75 11.25
90 90 90
F 0.083 0.990 0.387
F 0.083 0.510 0.613
F 0.917 0.490 0.113
F 0.917 0.010 0.887
F 0.917 0.010 0.613
F 0.917 0.490 0.387
F 0.083 0.510 0.887
F 0.083 0.990 0.113
F 0.061 0.217 0.250
F 0.061 0.283 0.750
F 0.939 0.717 0.250
F 0.939 0.783 0.750
F 0.484 0.709 0.112
F 0.484 0.791 0.888
F 0.516 0.209 0... |
Below is a description of a material. | The chemical formula is: K2LiGaAs2.
The Raman spectrum shows main peaks at: 93.0cm-1(0.19), 121.6cm-1(0.59), 140.7cm-1(0.4), 183.7cm-1(0.22), 207.5cm-1(0.29), 293.5cm-1(0.36), 331.7cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-9703 | 93.0cm-1(0.19), 121.6cm-1(0.59), 140.7cm-1(0.4), 183.7cm-1(0.22), 207.5cm-1(0.29), 293.5cm-1(0.36), 331.7cm-1(1.0) | 9.85 9.85 6.20
90 90 102
Li 0.120 0.120 0.500
Li 0.880 0.880 0.500
Li 0.380 0.380 0.000
Li 0.620 0.620 0.000
K 0.077 0.423 0.750
K 0.672 0.328 0.781
K 0.328 0.672 0.219
K 0.577 0.923 0.750
K 0.423 0.077 0.250
K 0.923 0.577 0.250
K 0.828 0.172 0.281
K 0.172 0.828 0.719
Ga 0.868 0.868 0.000
Ga 0.368 0.368 0.500
Ga 0.632 ... |
Below is a description of a material. | The chemical formula is: KPF6.
The Raman spectrum shows main peaks at: 441.5cm-1(0.1), 546.5cm-1(0.16), 704.0cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-4608 | 441.5cm-1(0.1), 546.5cm-1(0.16), 704.0cm-1(1.0) | 4.81 4.81 4.81
97 97 97
F 0.739 0.785 0.076
F 0.785 0.076 0.739
F 0.924 0.261 0.215
F 0.215 0.924 0.261
F 0.261 0.215 0.924
F 0.076 0.739 0.785
P 0.000 0.000 0.000
K 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: KSmS2.
The Raman spectrum shows main peaks at: 212.3cm-1(1.0), 260.1cm-1(0.33).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-15783 | 212.3cm-1(1.0), 260.1cm-1(0.33) | 7.67 7.67 7.67
30 30 30
S 0.735 0.735 0.735
S 0.265 0.265 0.265
K 0.500 0.500 0.500
Sm 1.000 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: LiPH2O4.
The Raman spectrum shows main peaks at: 317.3cm-1(0.08), 451.0cm-1(0.05), 608.5cm-1(1.0), 856.8cm-1(0.34), 885.4cm-1(0.26).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-24610 | 317.3cm-1(0.08), 451.0cm-1(0.05), 608.5cm-1(1.0), 856.8cm-1(0.34), 885.4cm-1(0.26) | 6.27 7.54 6.82
90 90 90
H 0.019 0.137 0.377
H 0.981 0.863 0.877
H 0.481 0.637 0.877
H 0.519 0.363 0.377
H 0.991 0.627 0.062
H 0.009 0.373 0.562
H 0.491 0.873 0.062
H 0.509 0.127 0.562
Li 0.019 0.719 0.507
Li 0.519 0.781 0.507
Li 0.481 0.219 0.007
Li 0.981 0.281 0.007
O 0.719 0.314 0.860
O 0.077 0.515 0.099
O 0.929 0.10... |
Below is a description of a material. | The chemical formula is: AlTlSe2.
The Raman spectrum shows main peaks at: 102.5cm-1(1.0), 198.0cm-1(0.49), 283.9cm-1(0.18), 398.5cm-1(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-9579 | 102.5cm-1(1.0), 198.0cm-1(0.49), 283.9cm-1(0.18), 398.5cm-1(0.2) | 6.46 6.46 6.46
103 103 121
Al 0.250 0.750 0.500
Al 0.750 0.250 0.500
Se 0.163 0.337 0.500
Se 0.337 0.837 0.175
Se 0.837 0.663 0.500
Se 0.663 0.163 0.825
Tl 0.750 0.750 0.000
Tl 0.250 0.250 0.000 |
Below is a description of a material. | The chemical formula is: K3SnIrCl8.
The Raman spectrum shows main peaks at: 93.0cm-1(0.1), 116.8cm-1(0.12), 140.7cm-1(0.22), 150.3cm-1(0.23), 174.1cm-1(0.81), 207.5cm-1(0.24), 245.7cm-1(0.1), 283.9cm-1(0.14), 322.1cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-568970 | 93.0cm-1(0.1), 116.8cm-1(0.12), 140.7cm-1(0.22), 150.3cm-1(0.23), 174.1cm-1(0.81), 207.5cm-1(0.24), 245.7cm-1(0.1), 283.9cm-1(0.14), 322.1cm-1(1.0) | 9.43 9.62 7.86
90 90 90
K 0.242 0.375 0.936
K 0.258 0.625 0.436
K 0.758 0.375 0.936
K 0.000 0.869 0.001
K 0.500 0.131 0.501
K 0.742 0.625 0.436
Sn 0.000 0.095 0.519
Sn 0.500 0.905 0.019
Ir 0.500 0.689 0.842
Ir 0.000 0.311 0.342
Cl 0.500 0.811 0.583
Cl 0.691 0.936 0.217
Cl 0.191 0.064 0.717
Cl 0.000 0.526 0.183
Cl 0.500... |
Below is a description of a material. | The chemical formula is: HoBi2ClO4.
The Raman spectrum shows main peaks at: 126.4cm-1(0.13), 303.0cm-1(0.13), 441.5cm-1(0.05), 474.9cm-1(0.08), 551.3cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-549127 | 126.4cm-1(0.13), 303.0cm-1(0.13), 441.5cm-1(0.05), 474.9cm-1(0.08), 551.3cm-1(1.0) | 3.84 3.84 8.82
90 90 90
O 0.500 0.000 0.846
O 0.500 0.000 0.154
O 0.000 0.500 0.154
O 0.000 0.500 0.846
Ho 0.000 0.000 0.000
Bi 0.500 0.500 0.718
Bi 0.500 0.500 0.282
Cl 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: PbF2.
The Raman spectrum shows main peaks at: 59.5cm-1(0.1), 126.4cm-1(0.07), 183.7cm-1(1.0), 207.5cm-1(0.29), 226.6cm-1(0.51), 245.7cm-1(0.64).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-2511 | 59.5cm-1(0.1), 126.4cm-1(0.07), 183.7cm-1(1.0), 207.5cm-1(0.29), 226.6cm-1(0.51), 245.7cm-1(0.64) | 6.39 3.86 7.64
90 90 90
F 0.976 0.250 0.347
F 0.024 0.750 0.653
F 0.476 0.250 0.153
F 0.524 0.750 0.847
F 0.141 0.750 0.067
F 0.859 0.250 0.933
F 0.641 0.750 0.433
F 0.359 0.250 0.567
Pb 0.756 0.250 0.605
Pb 0.244 0.750 0.395
Pb 0.256 0.250 0.895
Pb 0.744 0.750 0.105 |
Below is a description of a material. | The chemical formula is: Li2PtF6.
The Raman spectrum shows main peaks at: 207.5cm-1(0.06), 279.1cm-1(0.09), 579.9cm-1(1.0), 599.0cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-13986 | 207.5cm-1(0.06), 279.1cm-1(0.09), 579.9cm-1(1.0), 599.0cm-1(1.0) | 4.63 4.63 9.15
90 90 90
Li 0.500 0.500 0.336
Li 0.000 0.000 0.836
Li 0.500 0.500 0.664
Li 0.000 0.000 0.164
F 0.807 0.193 0.662
F 0.693 0.693 0.838
F 0.203 0.797 0.000
F 0.297 0.297 0.500
F 0.797 0.203 0.000
F 0.703 0.703 0.500
F 0.693 0.693 0.162
F 0.807 0.193 0.338
F 0.307 0.307 0.838
F 0.193 0.807 0.662
F 0.307 0.30... |
Below is a description of a material. | The chemical formula is: Tl4CdI6.
The Raman spectrum shows main peaks at: 64.3cm-1(0.21), 78.6cm-1(0.16), 107.3cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-570339 | 64.3cm-1(0.21), 78.6cm-1(0.16), 107.3cm-1(1.0) | 8.97 8.97 9.57
90 90 90
Tl 0.146 0.354 0.250
Tl 0.854 0.646 0.750
Tl 0.146 0.354 0.750
Tl 0.354 0.854 0.250
Tl 0.354 0.854 0.750
Tl 0.854 0.646 0.250
Tl 0.646 0.146 0.250
Tl 0.646 0.146 0.750
Cd 0.000 0.000 0.000
Cd 0.500 0.500 0.500
I 0.813 0.359 0.500
I 0.000 0.000 0.297
I 0.000 0.000 0.703
I 0.141 0.687 0.000
I 0.68... |
Below is a description of a material. | The chemical formula is: Lu2Te4O11.
The Raman spectrum shows main peaks at: 164.6cm-1(0.11), 202.8cm-1(0.18), 255.3cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-542676 | 164.6cm-1(0.11), 202.8cm-1(0.18), 255.3cm-1(1.0) | 6.56 6.56 15.78
105 105 44
Lu 0.869 0.371 0.036
Lu 0.629 0.131 0.464
Lu 0.131 0.629 0.964
Lu 0.371 0.869 0.536
Te 0.838 0.407 0.372
Te 0.593 0.162 0.128
Te 0.162 0.593 0.628
Te 0.407 0.838 0.872
Te 0.406 0.847 0.200
Te 0.153 0.594 0.300
Te 0.594 0.153 0.800
Te 0.847 0.406 0.700
O 0.192 0.312 0.371
O 0.688 0.808 0.129
O... |
Below is a description of a material. | The chemical formula is: SrSnB2O6.
The Raman spectrum shows main peaks at: 183.7cm-1(0.02), 365.1cm-1(0.12), 417.6cm-1(1.0), 613.3cm-1(0.06), 713.6cm-1(0.24), 942.7cm-1(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-8000 | 183.7cm-1(0.02), 365.1cm-1(0.12), 417.6cm-1(1.0), 613.3cm-1(0.06), 713.6cm-1(0.24), 942.7cm-1(0.11) | 6.29 6.29 6.29
46 46 46
B 0.765 0.765 0.765
B 0.235 0.235 0.235
O 0.506 0.059 0.719
O 0.719 0.506 0.059
O 0.941 0.281 0.494
O 0.494 0.941 0.281
O 0.281 0.494 0.941
O 0.059 0.719 0.506
Sr 0.000 0.000 0.000
Sn 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: PrAsO4.
The Raman spectrum shows main peaks at: 341.2cm-1(0.11), 360.3cm-1(0.08), 417.6cm-1(0.12), 451.0cm-1(0.06), 742.2cm-1(0.32), 794.7cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-754109 | 341.2cm-1(0.11), 360.3cm-1(0.08), 417.6cm-1(0.12), 451.0cm-1(0.06), 742.2cm-1(0.32), 794.7cm-1(1.0) | 6.85 6.85 6.85
136 136 63
Pr 0.250 0.750 0.500
Pr 0.500 0.500 -0.000
As 0.750 0.250 0.500
As 1.000 0.000 0.000
O 0.808 0.418 0.882
O 0.214 0.324 0.382
O 0.168 0.786 0.110
O 0.074 0.192 0.610
O 0.582 0.464 0.390
O 0.676 0.058 0.890
O 0.942 0.832 0.618
O 0.536 0.926 0.118 |
Below is a description of a material. | The chemical formula is: BeS.
The Raman spectrum shows main peaks at: 579.9cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-422 | 579.9cm-1(1.0) | 3.42 3.42 3.42
60 60 60
Be 0.000 0.000 0.000
S 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Rb2TiCu2S4.
The Raman spectrum shows main peaks at: 145.5cm-1(0.05), 217.1cm-1(0.25), 283.9cm-1(0.26), 379.4cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-7129 | 145.5cm-1(0.05), 217.1cm-1(0.25), 283.9cm-1(0.26), 379.4cm-1(1.0) | 5.52 5.52 13.13
90 90 90
S 0.741 0.741 0.654
S 0.259 0.259 0.654
S 0.741 0.741 0.346
S 0.741 0.259 0.154
S 0.259 0.741 0.846
S 0.259 0.259 0.346
S 0.259 0.741 0.154
S 0.741 0.259 0.846
Ti 0.500 0.500 0.750
Ti 0.500 0.500 0.250
Cu 0.000 0.500 0.750
Cu 0.500 0.000 0.750
Cu 0.000 0.500 0.250
Cu 0.500 0.000 0.250
Rb 0.760 ... |
Below is a description of a material. | The chemical formula is: Ta3N5.
The Raman spectrum shows main peaks at: 121.6cm-1(0.12), 264.8cm-1(0.07), 398.5cm-1(0.3), 498.7cm-1(0.34), 517.8cm-1(0.37), 599.0cm-1(0.41), 699.2cm-1(0.08), 737.4cm-1(1.0), 856.8cm-1(0.15), 890.2cm-1(0.48).
Generate atomic structure description with lattice lengths, angles, coordinates ... | mp-27488 | 121.6cm-1(0.12), 264.8cm-1(0.07), 398.5cm-1(0.3), 498.7cm-1(0.34), 517.8cm-1(0.37), 599.0cm-1(0.41), 699.2cm-1(0.08), 737.4cm-1(1.0), 856.8cm-1(0.15), 890.2cm-1(0.48) | 5.47 5.47 10.25
90 90 138
Ta 0.199 0.801 0.250
Ta 0.866 0.134 0.441
Ta 0.134 0.866 0.559
Ta 0.134 0.866 0.941
Ta 0.801 0.199 0.750
Ta 0.866 0.134 0.059
N 0.047 0.953 0.380
N 0.691 0.309 0.573
N 0.309 0.691 0.427
N 0.691 0.309 0.927
N 0.236 0.764 0.750
N 0.309 0.691 0.073
N 0.047 0.953 0.120
N 0.953 0.047 0.880
N 0.764 ... |
Below is a description of a material. | The chemical formula is: NaSm3SiS7.
The Raman spectrum shows main peaks at: 140.7cm-1(0.06), 183.7cm-1(0.1), 202.8cm-1(0.13), 221.9cm-1(0.22), 241.0cm-1(0.11), 293.5cm-1(0.11), 384.2cm-1(1.0), 498.7cm-1(0.07), 541.7cm-1(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom type... | mp-12485 | 140.7cm-1(0.06), 183.7cm-1(0.1), 202.8cm-1(0.13), 221.9cm-1(0.22), 241.0cm-1(0.11), 293.5cm-1(0.11), 384.2cm-1(1.0), 498.7cm-1(0.07), 541.7cm-1(0.06) | 10.03 10.03 5.66
90 90 120
Na 0.000 0.000 0.983
Na 0.000 0.000 0.483
Si 0.333 0.667 0.334
Si 0.667 0.333 0.834
S 0.262 0.171 0.731
S 0.829 0.091 0.731
S 0.091 0.262 0.231
S 0.738 0.829 0.231
S 0.110 0.589 0.483
S 0.909 0.738 0.731
S 0.667 0.333 0.462
S 0.333 0.667 0.962
S 0.521 0.110 0.983
S 0.589 0.479 0.983
S 0.890 0... |
Below is a description of a material. | The chemical formula is: ZrO2.
The Raman spectrum shows main peaks at: 126.4cm-1(0.19), 193.2cm-1(0.13), 293.5cm-1(0.65), 322.1cm-1(1.0), 350.8cm-1(0.38), 388.9cm-1(0.41), 446.2cm-1(0.53), 455.8cm-1(0.36), 498.7cm-1(0.19), 532.2cm-1(0.74), 560.8cm-1(0.6), 608.5cm-1(0.82), 627.6cm-1(0.84).
Generate atomic structure desc... | mp-556605 | 126.4cm-1(0.19), 193.2cm-1(0.13), 293.5cm-1(0.65), 322.1cm-1(1.0), 350.8cm-1(0.38), 388.9cm-1(0.41), 446.2cm-1(0.53), 455.8cm-1(0.36), 498.7cm-1(0.19), 532.2cm-1(0.74), 560.8cm-1(0.6), 608.5cm-1(0.82), 627.6cm-1(0.84) | 5.26 5.05 5.07
90 90 90
Zr 0.031 0.233 0.747
Zr 0.531 0.767 0.747
Zr 0.969 0.767 0.247
Zr 0.469 0.233 0.247
O 0.232 0.962 0.500
O 0.367 0.430 0.609
O 0.867 0.570 0.609
O 0.732 0.038 0.500
O 0.133 0.430 0.109
O 0.768 0.038 1.000
O 0.633 0.570 0.109
O 0.268 0.962 1.000 |
Below is a description of a material. | The chemical formula is: Zr2SN2.
The Raman spectrum shows main peaks at: 140.7cm-1(0.05), 231.4cm-1(0.14), 274.4cm-1(0.15), 565.6cm-1(0.19), 589.4cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-11583 | 140.7cm-1(0.05), 231.4cm-1(0.14), 274.4cm-1(0.15), 565.6cm-1(0.19), 589.4cm-1(1.0) | 3.60 3.60 12.72
90 90 120
N 0.667 0.333 0.568
N 0.333 0.667 0.068
N 0.333 0.667 0.432
N 0.667 0.333 0.932
S 0.000 0.000 0.250
S 0.000 0.000 0.750
Zr 0.333 0.667 0.603
Zr 0.667 0.333 0.103
Zr 0.667 0.333 0.397
Zr 0.333 0.667 0.897 |
Below is a description of a material. | The chemical formula is: Dy2SO2.
The Raman spectrum shows main peaks at: 107.3cm-1(0.13), 193.2cm-1(0.14), 451.0cm-1(1.0), 465.3cm-1(0.84).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-12669 | 107.3cm-1(0.13), 193.2cm-1(0.14), 451.0cm-1(1.0), 465.3cm-1(0.84) | 3.76 3.76 6.52
90 90 120
O 0.667 0.333 0.630
O 0.333 0.667 0.370
S 0.000 0.000 0.000
Dy 0.667 0.333 0.282
Dy 0.333 0.667 0.718 |
Below is a description of a material. | The chemical formula is: Cs2NaAlF6.
The Raman spectrum shows main peaks at: 298.2cm-1(0.1), 360.3cm-1(0.11), 508.3cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-6528 | 298.2cm-1(0.1), 360.3cm-1(0.11), 508.3cm-1(1.0) | 10.55 10.55 10.55
33 33 33
F 0.677 0.251 0.677
F 0.749 0.323 0.323
F 0.323 0.323 0.749
F 0.677 0.677 0.251
F 0.898 0.313 0.898
F 0.313 0.898 0.898
F 0.898 0.898 0.313
F 0.251 0.677 0.677
F 0.102 0.687 0.102
F 0.687 0.102 0.102
F 0.102 0.102 0.687
F 0.323 0.749 0.323
Na 0.098 0.098 0.098
Na 0.902 0.902 0.902
Al 0.000 0.... |
Below is a description of a material. | The chemical formula is: LaSc3B4O12.
The Raman spectrum shows main peaks at: 164.6cm-1(0.09), 221.9cm-1(0.1), 236.2cm-1(0.1), 264.8cm-1(0.21), 288.7cm-1(0.44), 322.1cm-1(1.0), 369.8cm-1(0.63), 417.6cm-1(0.99), 556.0cm-1(0.08), 603.8cm-1(0.34), 637.2cm-1(0.18), 694.5cm-1(0.36), 947.5cm-1(0.17), 961.8cm-1(0.2).
Generate ... | mp-10348 | 164.6cm-1(0.09), 221.9cm-1(0.1), 236.2cm-1(0.1), 264.8cm-1(0.21), 288.7cm-1(0.44), 322.1cm-1(1.0), 369.8cm-1(0.63), 417.6cm-1(0.99), 556.0cm-1(0.08), 603.8cm-1(0.34), 637.2cm-1(0.18), 694.5cm-1(0.36), 947.5cm-1(0.17), 961.8cm-1(0.2) | 6.26 6.26 6.26
103 103 103
B 0.000 0.000 0.000
B 0.450 0.000 0.550
B 0.000 0.550 0.450
B 0.550 0.450 -0.000
O 0.859 0.000 0.141
O 0.410 0.590 -0.000
O 0.000 0.410 0.590
O 0.590 0.000 0.410
O 0.531 0.297 0.127
O 0.127 0.531 0.297
O 0.297 0.127 0.531
O 0.703 0.469 0.873
O 0.873 0.703 0.469
O 0.469 0.873 0.703
O 0.141 0.8... |
Below is a description of a material. | The chemical formula is: Nd3Si2S8I.
The Raman spectrum shows main peaks at: 155.0cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-561126 | 155.0cm-1(1.0) | 8.75 8.75 10.73
97 97 52
Nd 0.402 0.598 0.750
Nd 0.077 0.321 0.682
Nd 0.321 0.077 0.182
Nd 0.679 0.923 0.818
Nd 0.923 0.679 0.318
Nd 0.598 0.402 0.250
Si 0.377 0.303 0.471
Si 0.697 0.623 0.029
Si 0.303 0.377 0.971
Si 0.623 0.697 0.529
S 0.250 0.452 0.164
S 0.145 0.287 0.414
S 0.452 0.250 0.664
S 0.603 0.106 0.351
S 0.5... |
Below is a description of a material. | The chemical formula is: OsO2F3.
The Raman spectrum shows main peaks at: 193.2cm-1(0.07), 298.2cm-1(0.04), 369.8cm-1(0.12), 484.4cm-1(1.0), 613.3cm-1(0.22), 665.8cm-1(0.57).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-557705 | 193.2cm-1(0.07), 298.2cm-1(0.04), 369.8cm-1(0.12), 484.4cm-1(1.0), 613.3cm-1(0.22), 665.8cm-1(0.57) | 5.61 5.14 12.31
90 101 90
Os 0.183 0.516 0.049
Os 0.814 0.965 0.337
Os 0.814 0.035 0.837
Os 0.183 0.484 0.549
O 0.407 0.596 0.489
O 0.747 0.137 0.217
O 0.626 0.906 0.917
O 0.686 0.332 0.802
O 0.626 0.094 0.417
O 0.686 0.668 0.302
O 0.407 0.404 0.989
O 0.747 0.863 0.717
F 0.329 0.825 0.111
F 0.982 0.803 0.499
F 0.264 0.... |
Below is a description of a material. | The chemical formula is: TmSeClO3.
The Raman spectrum shows main peaks at: 427.1cm-1(0.04), 694.5cm-1(0.16), 751.8cm-1(0.3), 856.8cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-558516 | 427.1cm-1(0.04), 694.5cm-1(0.16), 751.8cm-1(0.3), 856.8cm-1(1.0) | 7.08 6.83 8.68
90 90 90
Tm 0.400 0.750 0.040
Tm 0.900 0.750 0.460
Tm 0.600 0.250 0.960
Tm 0.100 0.250 0.540
Se 0.298 0.750 0.633
Se 0.798 0.750 0.867
Se 0.702 0.250 0.367
Se 0.202 0.250 0.133
Cl 0.061 0.750 0.182
Cl 0.439 0.250 0.682
Cl 0.561 0.750 0.318
Cl 0.939 0.250 0.818
O 0.250 0.750 0.824
O 0.143 0.571 0.566
O 0.... |
Below is a description of a material. | The chemical formula is: KNaS.
The Raman spectrum shows main peaks at: 83.4cm-1(0.08), 97.7cm-1(0.1), 126.4cm-1(0.13), 188.4cm-1(1.0), 198.0cm-1(0.9).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-28383 | 83.4cm-1(0.08), 97.7cm-1(0.1), 126.4cm-1(0.13), 188.4cm-1(1.0), 198.0cm-1(0.9) | 7.75 4.61 8.33
90 90 90
K 0.986 0.750 0.183
K 0.014 0.250 0.817
K 0.486 0.750 0.317
K 0.514 0.250 0.683
Na 0.854 0.750 0.574
Na 0.146 0.250 0.426
Na 0.354 0.750 0.926
Na 0.646 0.250 0.074
S 0.719 0.750 0.893
S 0.281 0.250 0.107
S 0.219 0.750 0.607
S 0.781 0.250 0.393 |
Below is a description of a material. | The chemical formula is: Ba2TiGe2O8.
The Raman spectrum shows main peaks at: 164.6cm-1(0.08), 279.1cm-1(0.06), 341.2cm-1(0.09), 369.8cm-1(0.24), 436.7cm-1(0.19), 494.0cm-1(0.22), 713.6cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-6289 | 164.6cm-1(0.08), 279.1cm-1(0.06), 341.2cm-1(0.09), 369.8cm-1(0.24), 436.7cm-1(0.19), 494.0cm-1(0.22), 713.6cm-1(1.0) | 8.75 8.75 5.37
90 90 90
O 0.000 0.000 0.769
O 0.500 0.500 0.769
O 0.627 0.873 0.811
O 0.373 0.127 0.811
O 0.198 0.080 0.339
O 0.580 0.698 0.339
O 0.420 0.302 0.339
O 0.000 0.500 0.352
O 0.080 0.802 0.339
O 0.920 0.198 0.339
O 0.302 0.580 0.339
O 0.698 0.420 0.339
O 0.802 0.920 0.339
O 0.500 0.000 0.352
O 0.127 0.627 0.... |
Below is a description of a material. | The chemical formula is: Ba3CaSb2O9.
The Raman spectrum shows main peaks at: 112.1cm-1(0.08), 140.7cm-1(0.06), 217.1cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-554817 | 112.1cm-1(0.08), 140.7cm-1(0.06), 217.1cm-1(1.0) | 5.99 5.99 14.90
91 91 119
Ba 0.008 0.992 0.250
Ba 0.343 0.677 0.591
Ba 0.323 0.657 0.909
Ba 0.677 0.343 0.091
Ba 0.657 0.323 0.409
Ba 0.992 0.008 0.750
Ca 0.000 1.000 0.500
Ca 0.000 1.000 1.000
Sb 0.313 0.645 0.346
Sb 0.645 0.313 0.846
Sb 0.355 0.687 0.154
Sb 0.687 0.355 0.654
O 0.956 0.480 0.764
O 0.124 0.781 0.409
O ... |
Below is a description of a material. | The chemical formula is: PtF4.
The Raman spectrum shows main peaks at: 446.2cm-1(0.06), 536.9cm-1(1.0), 661.1cm-1(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-8943 | 446.2cm-1(0.06), 536.9cm-1(1.0), 661.1cm-1(0.05) | 5.57 5.49 6.65
53 52 73
F 0.077 0.490 0.245
F 0.490 0.077 0.188
F 0.485 0.542 0.691
F 0.542 0.485 0.282
F 0.968 0.559 0.708
F 0.559 0.968 0.765
F 0.005 0.062 0.173
F 0.062 0.005 0.760
Pt 0.254 0.254 0.746
Pt 0.504 0.504 0.996 |
Below is a description of a material. | The chemical formula is: Na3BO3.
The Raman spectrum shows main peaks at: 226.6cm-1(1.0), 236.2cm-1(0.7).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-30975 | 226.6cm-1(1.0), 236.2cm-1(0.7) | 5.68 7.44 9.59
90 123 90
Na 0.598 0.781 0.724
Na 0.402 0.281 0.776
Na 0.402 0.219 0.276
Na 0.598 0.719 0.224
Na 0.208 0.527 0.455
Na 0.792 0.027 0.045
Na 0.792 0.473 0.545
Na 0.208 0.973 0.955
Na 0.048 0.150 0.429
Na 0.952 0.650 0.071
Na 0.952 0.850 0.570
Na 0.048 0.350 0.929
B 0.279 0.839 0.346
B 0.721 0.339 0.154
B 0... |
Below is a description of a material. | The chemical formula is: HoCuS2.
The Raman spectrum shows main peaks at: 93.0cm-1(0.19), 135.9cm-1(0.05), 217.1cm-1(0.24), 322.1cm-1(1.0), 369.8cm-1(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-12453 | 93.0cm-1(0.19), 135.9cm-1(0.05), 217.1cm-1(0.24), 322.1cm-1(1.0), 369.8cm-1(0.17) | 13.18 3.88 6.15
90 90 90
S 0.296 0.750 0.754
S 0.704 0.250 0.246
S 0.204 0.250 0.254
S 0.796 0.750 0.746
S 0.458 0.750 0.249
S 0.958 0.750 0.251
S 0.042 0.250 0.749
S 0.542 0.250 0.751
Cu 0.458 0.750 0.630
Cu 0.042 0.250 0.130
Cu 0.542 0.250 0.370
Cu 0.958 0.750 0.870
Ho 0.632 0.750 0.004
Ho 0.368 0.250 0.996
Ho 0.868 ... |
Below is a description of a material. | The chemical formula is: CsAsH6C2Se2.
The Raman spectrum shows main peaks at: 112.1cm-1(0.12), 164.6cm-1(0.07), 198.0cm-1(0.48), 250.5cm-1(0.15), 279.1cm-1(1.0), 317.3cm-1(0.08), 579.9cm-1(0.4), 599.0cm-1(0.22), 785.2cm-1(0.09), 842.5cm-1(0.09), 885.4cm-1(0.08).
Generate atomic structure description with lattice length... | mp-866612 | 112.1cm-1(0.12), 164.6cm-1(0.07), 198.0cm-1(0.48), 250.5cm-1(0.15), 279.1cm-1(1.0), 317.3cm-1(0.08), 579.9cm-1(0.4), 599.0cm-1(0.22), 785.2cm-1(0.09), 842.5cm-1(0.09), 885.4cm-1(0.08) | 7.00 7.00 9.60
108 108 90
Cs 0.892 0.108 0.250
Cs 0.108 0.892 0.750
As 0.329 0.671 0.250
As 0.671 0.329 0.750
H 0.190 0.413 0.984
H 0.810 0.587 0.016
H 0.458 0.406 0.065
H 0.287 0.295 0.133
H 0.705 0.713 0.367
H 0.594 0.542 0.435
H 0.413 0.190 0.484
H 0.587 0.810 0.516
H 0.406 0.458 0.565
H 0.295 0.287 0.633
H 0.713 0.... |
Below is a description of a material. | The chemical formula is: La2GeS5.
The Raman spectrum shows main peaks at: 121.6cm-1(0.16), 135.9cm-1(0.21), 169.3cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-622086 | 121.6cm-1(0.16), 135.9cm-1(0.21), 169.3cm-1(1.0) | 7.56 12.63 7.82
90 101 90
La 0.842 0.833 0.364
La 0.239 0.906 0.039
La 0.761 0.406 0.461
La 0.239 0.594 0.539
La 0.158 0.167 0.636
La 0.761 0.094 0.961
La 0.158 0.333 0.136
La 0.842 0.667 0.864
Ge 0.660 0.383 0.911
Ge 0.340 0.883 0.589
Ge 0.340 0.617 0.089
Ge 0.660 0.117 0.411
S 0.874 0.293 0.804
S 0.169 0.975 0.379
S ... |
Below is a description of a material. | The chemical formula is: Hg2SeO4.
The Raman spectrum shows main peaks at: 116.8cm-1(0.05), 174.1cm-1(0.09), 403.3cm-1(0.2), 747.0cm-1(0.19), 770.9cm-1(0.16), 823.4cm-1(1.0), 861.6cm-1(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-7462 | 116.8cm-1(0.05), 174.1cm-1(0.09), 403.3cm-1(0.2), 747.0cm-1(0.19), 770.9cm-1(0.16), 823.4cm-1(1.0), 861.6cm-1(0.29) | 6.38 4.66 8.54
90 91 90
O 0.498 0.231 0.409
O 0.502 0.231 0.091
O 0.502 0.769 0.591
O 0.498 0.769 0.909
O 0.279 0.638 0.242
O 0.721 0.638 0.258
O 0.279 0.362 0.742
O 0.721 0.362 0.758
Se 0.500 0.547 0.750
Se 0.500 0.453 0.250
Hg 0.807 0.940 0.519
Hg 0.193 0.940 0.981
Hg 0.193 0.060 0.481
Hg 0.807 0.060 0.019 |
Below is a description of a material. | The chemical formula is: Hg2P2S7.
The Raman spectrum shows main peaks at: 83.4cm-1(0.05), 135.9cm-1(0.09), 193.2cm-1(0.13), 236.2cm-1(1.0), 293.5cm-1(0.38), 384.2cm-1(0.66), 484.4cm-1(0.05), 541.7cm-1(0.1), 579.9cm-1(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-27171 | 83.4cm-1(0.05), 135.9cm-1(0.09), 193.2cm-1(0.13), 236.2cm-1(1.0), 293.5cm-1(0.38), 384.2cm-1(0.66), 484.4cm-1(0.05), 541.7cm-1(0.1), 579.9cm-1(0.12) | 6.16 6.16 8.11
101 101 56
P 0.911 0.915 0.294
P 0.085 0.089 0.706
S 0.210 0.732 0.762
S 0.268 0.790 0.238
S 0.891 0.625 0.356
S 0.375 0.109 0.644
S 0.778 0.222 0.500
S 0.625 0.127 0.108
S 0.873 0.375 0.892
Hg 0.789 0.794 0.811
Hg 0.206 0.211 0.189 |
Below is a description of a material. | The chemical formula is: NaSrBO3.
The Raman spectrum shows main peaks at: 169.3cm-1(0.05), 217.1cm-1(0.03), 250.5cm-1(0.04), 565.6cm-1(0.03), 914.1cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-556695 | 169.3cm-1(0.05), 217.1cm-1(0.03), 250.5cm-1(0.04), 565.6cm-1(0.03), 914.1cm-1(1.0) | 5.32 9.22 6.04
90 100 90
Na 0.257 0.240 0.536
Na 0.743 0.740 0.964
Na 0.743 0.760 0.464
Na 0.257 0.260 0.036
Sr 0.754 0.414 0.285
Sr 0.246 0.914 0.215
Sr 0.246 0.586 0.715
Sr 0.754 0.086 0.785
B 0.247 0.919 0.738
B 0.247 0.581 0.238
B 0.753 0.419 0.762
B 0.753 0.081 0.262
O 0.725 0.939 0.185
O 0.039 0.658 0.283
O 0.275... |
Below is a description of a material. | The chemical formula is: TlGeS2.
The Raman spectrum shows main peaks at: 78.6cm-1(0.3), 102.5cm-1(1.0), 126.4cm-1(0.35).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-3075 | 78.6cm-1(0.3), 102.5cm-1(1.0), 126.4cm-1(0.35) | 8.80 6.58 13.82
90 90 90
S 0.654 0.006 0.346
S 0.154 0.006 0.154
S 0.846 0.506 0.846
S 0.654 0.494 0.346
S 0.346 0.994 0.654
S 0.846 0.994 0.846
S 0.154 0.494 0.154
S 0.346 0.506 0.654
S 0.005 0.750 0.417
S 0.995 0.250 0.583
S 0.505 0.750 0.083
S 0.825 0.250 0.083
S 0.675 0.750 0.583
S 0.325 0.250 0.417
S 0.175 0.750 0... |
Below is a description of a material. | The chemical formula is: NdSbO4.
The Raman spectrum shows main peaks at: 264.8cm-1(0.08), 303.0cm-1(0.05), 374.6cm-1(0.28), 417.6cm-1(0.07), 484.4cm-1(0.06), 527.4cm-1(0.25), 646.7cm-1(0.07), 665.8cm-1(0.16), 704.0cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-13195 | 264.8cm-1(0.08), 303.0cm-1(0.05), 374.6cm-1(0.28), 417.6cm-1(0.07), 484.4cm-1(0.06), 527.4cm-1(0.25), 646.7cm-1(0.07), 665.8cm-1(0.16), 704.0cm-1(1.0) | 7.66 5.50 7.66
90 99 90
O 0.119 0.020 0.172
O 0.881 0.520 0.328
O 0.881 0.980 0.828
O 0.119 0.480 0.672
O 0.332 0.365 0.443
O 0.668 0.865 0.057
O 0.668 0.635 0.557
O 0.332 0.135 0.943
O 0.170 0.004 0.628
O 0.830 0.504 0.872
O 0.830 0.996 0.372
O 0.170 0.496 0.128
O 0.564 0.092 0.699
O 0.436 0.592 0.801
O 0.436 0.908 0.... |
Below is a description of a material. | The chemical formula is: AsF3.
The Raman spectrum shows main peaks at: 245.7cm-1(0.04), 536.9cm-1(0.32), 556.0cm-1(0.39), 613.3cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-28027 | 245.7cm-1(0.04), 536.9cm-1(0.32), 556.0cm-1(0.39), 613.3cm-1(1.0) | 6.79 5.15 7.24
90 90 90
F 0.328 0.199 0.646
F 0.672 0.801 0.146
F 0.828 0.301 0.646
F 0.172 0.699 0.146
F 0.063 0.112 0.313
F 0.937 0.888 0.813
F 0.563 0.388 0.313
F 0.437 0.612 0.813
F 0.308 0.137 0.043
F 0.692 0.863 0.543
F 0.808 0.363 0.043
F 0.192 0.637 0.543
As 0.211 0.467 0.753
As 0.789 0.533 0.253
As 0.711 0.033... |
Below is a description of a material. | The chemical formula is: B6P.
The Raman spectrum shows main peaks at: 365.1cm-1(0.06), 470.1cm-1(0.61), 508.3cm-1(0.12), 651.5cm-1(0.12), 718.3cm-1(0.12), 766.1cm-1(0.38), 813.8cm-1(0.09), 995.2cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-28395 | 365.1cm-1(0.06), 470.1cm-1(0.61), 508.3cm-1(0.12), 651.5cm-1(0.12), 718.3cm-1(0.12), 766.1cm-1(0.38), 813.8cm-1(0.09), 995.2cm-1(1.0) | 5.23 5.23 5.23
69 69 69
B 0.184 0.717 0.184
B 0.184 0.184 0.717
B 0.717 0.184 0.184
B 0.283 0.816 0.816
B 0.816 0.283 0.816
B 0.816 0.816 0.283
B 0.013 0.326 0.013
B 0.013 0.013 0.326
B 0.326 0.013 0.013
B 0.674 0.987 0.987
B 0.987 0.674 0.987
B 0.987 0.987 0.674
P 0.405 0.405 0.405
P 0.595 0.595 0.595 |
Below is a description of a material. | The chemical formula is: KTmO2.
The Raman spectrum shows main peaks at: 379.4cm-1(1.0), 489.2cm-1(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-753774 | 379.4cm-1(1.0), 489.2cm-1(0.07) | 6.48 6.48 6.48
30 30 30
K 0.000 0.000 0.000
Tm 0.500 0.500 0.500
O 0.227 0.227 0.227
O 0.773 0.773 0.773 |
Below is a description of a material. | The chemical formula is: K2AgI3.
The Raman spectrum shows main peaks at: 64.3cm-1(0.46), 78.6cm-1(0.65).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-569943 | 64.3cm-1(0.46), 78.6cm-1(0.65) | 9.94 4.72 19.31
90 90 90
K 0.246 0.750 0.461
K 0.754 0.250 0.539
K 0.746 0.750 0.039
K 0.254 0.250 0.961
K 0.923 0.750 0.788
K 0.577 0.250 0.288
K 0.423 0.750 0.712
K 0.077 0.250 0.212
Ag 0.135 0.250 0.637
Ag 0.635 0.250 0.863
Ag 0.865 0.750 0.363
Ag 0.365 0.750 0.137
I 0.496 0.750 0.900
I 0.004 0.250 0.400
I 0.691 0.2... |
Below is a description of a material. | The chemical formula is: CsNbB2O6.
The Raman spectrum shows main peaks at: 250.5cm-1(0.08), 665.8cm-1(1.0), 699.2cm-1(0.1), 914.1cm-1(0.03).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-6257 | 250.5cm-1(0.08), 665.8cm-1(1.0), 699.2cm-1(0.1), 914.1cm-1(0.03) | 7.60 4.01 9.77
90 90 90
B 0.663 0.988 0.045
B 0.837 0.012 0.545
B 0.163 0.012 0.545
B 0.337 0.988 0.045
O 0.809 0.921 0.969
O 0.691 0.079 0.469
O 0.309 0.079 0.469
O 0.191 0.921 0.969
O 0.822 0.930 0.679
O 0.678 0.070 0.179
O 0.322 0.070 0.179
O 0.178 0.930 0.679
O 0.000 0.420 0.834
O 0.500 0.580 0.334
O 0.000 0.037 0.... |
Below is a description of a material. | The chemical formula is: LiGaBr4.
The Raman spectrum shows main peaks at: 78.6cm-1(0.1), 107.3cm-1(0.14), 140.7cm-1(0.05), 198.0cm-1(1.0), 303.0cm-1(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-28326 | 78.6cm-1(0.1), 107.3cm-1(0.14), 140.7cm-1(0.05), 198.0cm-1(1.0), 303.0cm-1(0.07) | 7.36 6.93 13.55
90 92 90
Li 0.648 0.488 0.876
Li 0.352 0.512 0.124
Li 0.352 0.988 0.624
Li 0.648 0.012 0.376
Ga 0.798 0.329 0.102
Ga 0.798 0.171 0.602
Ga 0.202 0.829 0.398
Ga 0.202 0.671 0.898
Br 0.189 0.679 0.551
Br 0.688 0.857 0.567
Br 0.688 0.643 0.067
Br 0.312 0.143 0.433
Br 0.312 0.357 0.933
Br 0.562 0.310 0.691
B... |
Below is a description of a material. | The chemical formula is: KTm2Cu3Se5.
The Raman spectrum shows main peaks at: 78.6cm-1(0.19), 88.2cm-1(0.21), 102.5cm-1(0.23), 131.2cm-1(0.28), 178.9cm-1(1.0), 193.2cm-1(0.91).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-865972 | 78.6cm-1(0.19), 88.2cm-1(0.21), 102.5cm-1(0.23), 131.2cm-1(0.28), 178.9cm-1(1.0), 193.2cm-1(0.91) | 7.32 7.32 16.52
90 90 148
K 0.059 0.941 0.250
K 0.941 0.059 0.750
Tm 0.192 0.808 0.593
Tm 0.808 0.192 0.093
Tm 0.808 0.192 0.407
Tm 0.192 0.808 0.907
Cu 0.414 0.586 0.526
Cu 0.586 0.414 0.026
Cu 0.586 0.414 0.474
Cu 0.414 0.586 0.974
Cu 0.660 0.340 0.750
Cu 0.340 0.660 0.250
Se 0.253 0.747 0.750
Se 0.747 0.253 0.250
Se... |
Below is a description of a material. | The chemical formula is: TiPHO5.
The Raman spectrum shows main peaks at: 140.7cm-1(0.03), 202.8cm-1(0.04), 269.6cm-1(0.11), 307.8cm-1(0.07), 350.8cm-1(0.07), 379.4cm-1(0.12), 427.1cm-1(0.19), 494.0cm-1(0.1), 532.2cm-1(0.07), 613.3cm-1(0.7), 713.6cm-1(0.06), 789.9cm-1(0.04), 914.1cm-1(0.63), 966.6cm-1(1.0).
Generate ato... | mp-554704 | 140.7cm-1(0.03), 202.8cm-1(0.04), 269.6cm-1(0.11), 307.8cm-1(0.07), 350.8cm-1(0.07), 379.4cm-1(0.12), 427.1cm-1(0.19), 494.0cm-1(0.1), 532.2cm-1(0.07), 613.3cm-1(0.7), 713.6cm-1(0.06), 789.9cm-1(0.04), 914.1cm-1(0.63), 966.6cm-1(1.0) | 7.39 7.01 7.45
90 117 90
Ti 0.720 0.272 0.977
Ti 0.721 0.777 0.472
Ti 0.279 0.277 0.528
Ti 0.280 0.772 0.023
P 1.000 0.645 0.248
P 0.000 0.145 0.752
P 0.498 0.883 0.748
P 0.502 0.383 0.252
H 0.047 0.525 0.700
H 0.953 0.025 0.300
H 0.074 0.067 0.183
H 0.926 0.567 0.817
O 0.997 0.636 0.751
O 0.093 0.772 0.144
O 0.499 0.3... |
Below is a description of a material. | The chemical formula is: Na4SnS4.
The Raman spectrum shows main peaks at: 131.2cm-1(0.04), 202.8cm-1(0.04), 322.1cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-29628 | 131.2cm-1(0.04), 202.8cm-1(0.04), 322.1cm-1(1.0) | 7.79 7.79 6.93
90 90 90
Na 0.409 0.197 0.030
Na 0.197 0.591 0.970
Na 0.803 0.409 0.970
Na 0.591 0.803 0.030
Na 0.091 0.697 0.470
Na 0.909 0.303 0.470
Na 0.697 0.909 0.530
Na 0.303 0.091 0.530
S 0.595 0.259 0.690
S 0.405 0.741 0.690
S 0.759 0.095 0.190
S 0.095 0.241 0.810
S 0.905 0.759 0.810
S 0.241 0.905 0.190
S 0.741 ... |
Below is a description of a material. | The chemical formula is: AsSe6IF6.
The Raman spectrum shows main peaks at: 69.1cm-1(1.0), 150.3cm-1(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-23569 | 69.1cm-1(1.0), 150.3cm-1(0.13) | 9.24 6.80 11.55
90 120 90
F 0.071 0.097 0.897
F 0.929 0.097 0.603
F 0.929 0.903 0.103
F 0.071 0.903 0.397
F 0.199 0.894 0.104
F 0.801 0.894 0.396
F 0.801 0.106 0.896
F 0.199 0.106 0.604
F 0.937 0.785 0.902
F 0.063 0.785 0.598
F 0.063 0.215 0.098
F 0.937 0.215 0.402
As 1.000 0.000 0.500
As 0.000 0.000 0.000
Se 0.332 0.7... |
Below is a description of a material. | The chemical formula is: Tl2Te3.
The Raman spectrum shows main peaks at: 107.3cm-1(0.29), 135.9cm-1(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | mp-680731 | 107.3cm-1(0.29), 135.9cm-1(1.0) | 6.72 6.72 9.98
117 117 60
Tl 0.421 0.257 0.695
Tl 0.760 0.770 0.954
Tl 0.770 0.760 0.454
Tl 0.257 0.421 0.195
Te 0.269 0.793 0.978
Te 0.140 0.045 0.267
Te 0.390 0.706 0.595
Te 0.793 0.269 0.478
Te 0.045 0.140 0.767
Te 0.706 0.390 0.095 |
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