instruction
stringclasses
1 value
input
stringlengths
178
510
id
stringlengths
6
9
peak_text
stringlengths
13
336
output
stringlengths
63
821
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