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ramangpt_dft

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Below is a description of a material.
The chemical formula is: SrTe3O8. The Raman spectrum shows main peaks at: 135.9cm-1(0.03), 255.3cm-1(0.1), 417.6cm-1(0.11), 474.9cm-1(0.04), 594.2cm-1(0.39), 651.5cm-1(0.15), 704.0cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-3252
135.9cm-1(0.03), 255.3cm-1(0.1), 417.6cm-1(0.11), 474.9cm-1(0.04), 594.2cm-1(0.39), 651.5cm-1(0.15), 704.0cm-1(1.0)
6.84 6.84 6.79 90 90 90 O 0.321 0.954 0.000 O 0.046 0.321 0.500 O 0.954 0.679 0.500 O 0.679 0.046 0.000 O 0.882 0.758 0.000 O 0.242 0.882 0.500 O 0.758 0.118 0.500 O 0.118 0.242 0.000 O 0.411 0.190 0.306 O 0.810 0.411 0.806 O 0.190 0.589 0.806 O 0.589 0.810 0.306 O 0.589 0.810 0.694 O 0.190 0.589 0.194 O 0.810 0.411 0....
Below is a description of a material.
The chemical formula is: CuSe3Br. The Raman spectrum shows main peaks at: 93.0cm-1(0.16), 198.0cm-1(0.3), 231.4cm-1(1.0), 269.6cm-1(0.86). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-28741
93.0cm-1(0.16), 198.0cm-1(0.3), 231.4cm-1(1.0), 269.6cm-1(0.86)
14.23 4.50 7.55 90 90 90 Cu 0.750 0.297 0.750 Cu 0.750 0.703 0.250 Cu 0.250 0.703 0.250 Cu 0.250 0.297 0.750 Se 0.127 0.602 0.649 Se 0.627 0.398 0.149 Se 0.627 0.602 0.851 Se 0.500 0.335 0.725 Se 0.000 0.665 0.225 Se 0.000 0.335 0.775 Se 0.373 0.398 0.149 Se 0.500 0.665 0.275 Se 0.873 0.398 0.351 Se 0.373 0.602 0.851 S...
Below is a description of a material.
The chemical formula is: K4HgAs2. The Raman spectrum shows main peaks at: 73.9cm-1(0.28), 107.3cm-1(0.06), 202.8cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-29484
73.9cm-1(0.28), 107.3cm-1(0.06), 202.8cm-1(1.0)
9.82 9.82 9.82 33 33 33 K 0.208 0.208 0.208 K 0.792 0.792 0.792 K 0.389 0.389 0.389 K 0.611 0.611 0.611 As 0.910 0.910 0.910 As 0.090 0.090 0.090 Hg 0.000 0.000 0.000
Below is a description of a material.
The chemical formula is: Sm2Zr2O7. The Raman spectrum shows main peaks at: 307.8cm-1(1.0), 331.7cm-1(0.34), 408.0cm-1(0.14), 484.4cm-1(0.69), 522.6cm-1(0.19), 756.5cm-1(0.07). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-4408
307.8cm-1(1.0), 331.7cm-1(0.34), 408.0cm-1(0.14), 484.4cm-1(0.69), 522.6cm-1(0.19), 756.5cm-1(0.07)
7.47 7.47 7.47 60 60 60 O 0.500 0.500 0.500 O 0.750 0.750 0.750 O 0.787 0.213 0.213 O 0.037 0.463 0.463 O 0.787 0.787 0.213 O 0.787 0.213 0.787 O 0.213 0.787 0.213 O 0.213 0.213 0.787 O 0.213 0.787 0.787 O 0.037 0.463 0.037 O 0.463 0.037 0.463 O 0.463 0.037 0.037 O 0.037 0.037 0.463 O 0.463 0.463 0.037 Zr 0.125 0.625 0...
Below is a description of a material.
The chemical formula is: BaLiSb. The Raman spectrum shows main peaks at: 73.9cm-1(0.37), 331.7cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-10485
73.9cm-1(0.37), 331.7cm-1(1.0)
4.89 4.89 8.98 90 90 120 Li 0.667 0.333 0.250 Li 0.333 0.667 0.750 Sb 0.667 0.333 0.750 Sb 0.333 0.667 0.250 Ba 0.000 0.000 0.500 Ba 0.000 0.000 0.000
Below is a description of a material.
The chemical formula is: Sr3B2O6. The Raman spectrum shows main peaks at: 183.7cm-1(0.08), 202.8cm-1(0.05), 279.1cm-1(0.08), 307.8cm-1(0.11), 570.4cm-1(0.09), 885.4cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-16432
183.7cm-1(0.08), 202.8cm-1(0.05), 279.1cm-1(0.08), 307.8cm-1(0.11), 570.4cm-1(0.09), 885.4cm-1(1.0)
6.66 6.66 6.66 85 85 85 B 0.385 0.385 0.385 B 0.615 0.615 0.615 B 0.885 0.885 0.885 B 0.115 0.115 0.115 O 0.896 0.727 0.035 O 0.727 0.035 0.896 O 0.035 0.896 0.727 O 0.773 0.604 0.465 O 0.465 0.773 0.604 O 0.604 0.465 0.773 O 0.273 0.965 0.104 O 0.104 0.273 0.965 O 0.965 0.104 0.273 O 0.535 0.227 0.396 O 0.396 0.535 0....
Below is a description of a material.
The chemical formula is: GaTeO3F. The Raman spectrum shows main peaks at: 131.2cm-1(0.05), 174.1cm-1(0.05), 274.4cm-1(0.22), 307.8cm-1(0.12), 379.4cm-1(0.31), 417.6cm-1(0.34), 455.8cm-1(0.66), 536.9cm-1(0.09), 622.9cm-1(0.21), 651.5cm-1(0.69), 737.4cm-1(1.0). Generate atomic structure description with lattice lengths, ...
mp-558984
131.2cm-1(0.05), 174.1cm-1(0.05), 274.4cm-1(0.22), 307.8cm-1(0.12), 379.4cm-1(0.31), 417.6cm-1(0.34), 455.8cm-1(0.66), 536.9cm-1(0.09), 622.9cm-1(0.21), 651.5cm-1(0.69), 737.4cm-1(1.0)
5.04 4.99 12.56 90 105 90 Ga 0.105 0.239 0.070 Ga 0.895 0.739 0.430 Ga 0.105 0.261 0.570 Ga 0.895 0.761 0.930 Te 0.325 0.290 0.328 Te 0.675 0.790 0.172 Te 0.325 0.210 0.828 Te 0.675 0.710 0.672 O 0.132 0.435 0.432 O 0.450 0.391 0.665 O 0.935 0.577 0.800 O 0.450 0.109 0.165 O 0.550 0.609 0.335 O 0.550 0.891 0.835 O 0.06...
Below is a description of a material.
The chemical formula is: TlB6H6. The Raman spectrum shows main peaks at: 556.0cm-1(0.04), 584.7cm-1(0.12), 761.3cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-23691
556.0cm-1(0.04), 584.7cm-1(0.12), 761.3cm-1(1.0)
7.42 7.42 7.42 60 60 60 H 0.593 0.121 0.879 H 0.121 0.593 0.407 H 0.407 0.593 0.879 H 0.121 0.407 0.879 H 0.593 0.407 0.121 H 0.121 0.879 0.593 H 0.407 0.121 0.593 H 0.879 0.593 0.121 H 0.879 0.121 0.407 H 0.879 0.407 0.593 H 0.407 0.879 0.121 H 0.593 0.879 0.407 B 0.279 0.553 0.447 B 0.553 0.279 0.721 B 0.447 0.553 0....
Below is a description of a material.
The chemical formula is: VCu3S4. The Raman spectrum shows main peaks at: 169.3cm-1(0.04), 221.9cm-1(0.08), 317.3cm-1(0.3), 388.9cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-3762
169.3cm-1(0.04), 221.9cm-1(0.08), 317.3cm-1(0.3), 388.9cm-1(1.0)
5.30 5.30 5.30 90 90 90 S 0.760 0.240 0.760 S 0.240 0.760 0.760 S 0.760 0.760 0.240 S 0.240 0.240 0.240 V 0.000 0.000 0.000 Cu 0.000 0.500 0.000 Cu 0.000 0.000 0.500 Cu 0.500 0.000 0.000
Below is a description of a material.
The chemical formula is: Li6TeO6. The Raman spectrum shows main peaks at: 140.7cm-1(0.04), 369.8cm-1(0.04), 417.6cm-1(0.04), 460.6cm-1(0.04), 522.6cm-1(0.06), 622.9cm-1(0.13), 680.2cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-7941
140.7cm-1(0.04), 369.8cm-1(0.04), 417.6cm-1(0.04), 460.6cm-1(0.04), 522.6cm-1(0.06), 622.9cm-1(0.13), 680.2cm-1(1.0)
5.11 5.11 5.11 101 101 101 Li 0.908 0.408 0.706 Li 0.294 0.092 0.592 Li 0.592 0.294 0.092 Li 0.092 0.592 0.294 Li 0.706 0.908 0.408 Li 0.408 0.706 0.908 O 0.674 0.063 0.778 O 0.222 0.326 0.937 O 0.937 0.222 0.326 O 0.326 0.937 0.222 O 0.778 0.674 0.063 O 0.063 0.778 0.674 Te 0.000 0.000 0.000
Below is a description of a material.
The chemical formula is: TaAgO3. The Raman spectrum shows main peaks at: 255.3cm-1(0.31), 408.0cm-1(0.12), 584.7cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-9890
255.3cm-1(0.31), 408.0cm-1(0.12), 584.7cm-1(1.0)
5.59 5.59 5.59 58 58 58 O 0.318 0.750 0.182 O 0.750 0.182 0.318 O 0.182 0.318 0.750 O 0.682 0.250 0.818 O 0.818 0.682 0.250 O 0.250 0.818 0.682 Ag 0.250 0.250 0.250 Ag 0.750 0.750 0.750 Ta 0.000 0.000 0.000 Ta 0.500 0.500 0.500
Below is a description of a material.
The chemical formula is: Pr3CuGeS7. The Raman spectrum shows main peaks at: 174.1cm-1(0.08), 207.5cm-1(0.12), 260.1cm-1(0.05), 312.6cm-1(0.07), 350.8cm-1(1.0), 417.6cm-1(0.07). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-556962
174.1cm-1(0.08), 207.5cm-1(0.12), 260.1cm-1(0.05), 312.6cm-1(0.07), 350.8cm-1(1.0), 417.6cm-1(0.07)
10.13 10.13 5.78 90 90 120 Pr 0.357 0.229 0.750 Pr 0.128 0.357 0.250 Pr 0.643 0.771 0.250 Pr 0.872 0.643 0.750 Pr 0.771 0.128 0.750 Pr 0.229 0.872 0.250 Cu 0.000 0.000 0.727 Cu 0.000 0.000 0.227 Ge 0.667 0.333 0.331 Ge 0.333 0.667 0.831 S 0.748 0.838 0.736 S 0.667 0.333 0.953 S 0.252 0.162 0.236 S 0.897 0.417 0.484 S 0...
Below is a description of a material.
The chemical formula is: BaGa2Te4. The Raman spectrum shows main peaks at: 54.8cm-1(0.27), 135.9cm-1(1.0), 169.3cm-1(0.4), 226.6cm-1(0.14). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-38117
54.8cm-1(0.27), 135.9cm-1(1.0), 169.3cm-1(0.4), 226.6cm-1(0.14)
6.83 6.83 6.83 103 103 121 Ba 1.000 1.000 0.000 Ga 0.000 0.500 0.500 Ga 0.500 1.000 0.500 Te 0.078 0.922 0.500 Te 0.578 0.078 0.156 Te 0.922 0.422 0.844 Te 0.422 0.578 0.500
Below is a description of a material.
The chemical formula is: USeO5. The Raman spectrum shows main peaks at: 183.7cm-1(0.03), 355.5cm-1(0.03), 436.7cm-1(0.06), 470.1cm-1(0.09), 661.1cm-1(0.06), 761.3cm-1(1.0), 861.6cm-1(0.3). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-27723
183.7cm-1(0.03), 355.5cm-1(0.03), 436.7cm-1(0.06), 470.1cm-1(0.09), 661.1cm-1(0.06), 761.3cm-1(1.0), 861.6cm-1(0.3)
4.16 9.39 5.43 90 100 90 O 0.067 0.591 0.297 O 0.933 0.091 0.703 O 0.933 0.409 0.703 O 0.067 0.909 0.297 O 0.980 0.750 0.783 O 0.020 0.250 0.217 O 0.481 0.895 0.876 O 0.519 0.395 0.124 O 0.519 0.105 0.124 O 0.481 0.605 0.876 Se 0.645 0.250 0.319 Se 0.355 0.750 0.681 U 0.000 0.500 0.000 U 0.000 0.000 0.000
Below is a description of a material.
The chemical formula is: Ba2CaB6O12. The Raman spectrum shows main peaks at: 126.4cm-1(0.12), 188.4cm-1(0.05), 231.4cm-1(0.24), 393.7cm-1(0.21), 470.1cm-1(0.24), 579.9cm-1(0.18), 622.9cm-1(1.0), 651.5cm-1(0.12), 718.3cm-1(0.11), 751.8cm-1(0.65). Generate atomic structure description with lattice lengths, angles, coordi...
mp-8271
126.4cm-1(0.12), 188.4cm-1(0.05), 231.4cm-1(0.24), 393.7cm-1(0.21), 470.1cm-1(0.24), 579.9cm-1(0.18), 622.9cm-1(1.0), 651.5cm-1(0.12), 718.3cm-1(0.11), 751.8cm-1(0.65)
7.17 7.17 7.17 59 59 59 B 0.756 0.364 0.630 B 0.370 0.244 0.636 B 0.244 0.636 0.370 B 0.636 0.370 0.244 B 0.630 0.756 0.364 B 0.364 0.630 0.756 O 0.582 0.203 0.460 O 0.460 0.582 0.203 O 0.203 0.460 0.582 O 0.797 0.540 0.418 O 0.336 0.084 0.840 O 0.540 0.418 0.797 O 0.418 0.797 0.540 O 0.840 0.336 0.084 O 0.084 0.840 0....
Below is a description of a material.
The chemical formula is: RbHfF5. The Raman spectrum shows main peaks at: 88.2cm-1(0.04), 135.9cm-1(0.14), 164.6cm-1(0.19), 207.5cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-30320
88.2cm-1(0.04), 135.9cm-1(0.14), 164.6cm-1(0.19), 207.5cm-1(1.0)
7.74 7.74 7.87 90 90 61 F 0.913 0.913 0.000 F 0.587 0.587 0.500 F 0.087 0.087 0.000 F 0.413 0.413 0.500 F 0.710 0.290 0.065 F 0.790 0.210 0.565 F 0.290 0.710 0.935 F 0.210 0.790 0.435 F 0.430 0.858 0.710 F 0.070 0.642 0.210 F 0.570 0.142 0.290 F 0.930 0.358 0.790 F 0.142 0.570 0.710 F 0.358 0.930 0.210 F 0.858 0.430 0....
Below is a description of a material.
The chemical formula is: CaSeO3. The Raman spectrum shows main peaks at: 384.2cm-1(0.05), 689.7cm-1(0.05), 723.1cm-1(0.27), 785.2cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-557997
384.2cm-1(0.05), 689.7cm-1(0.05), 723.1cm-1(0.27), 785.2cm-1(1.0)
6.35 6.76 8.09 90 126 90 Ca 0.851 0.874 0.125 Ca 0.851 0.626 0.625 Ca 0.149 0.374 0.375 Ca 0.149 0.126 0.875 Se 0.643 0.337 0.906 Se 0.643 0.163 0.406 Se 0.357 0.837 0.594 Se 0.357 0.663 0.094 O 0.597 0.420 0.686 O 0.403 0.920 0.814 O 0.081 0.687 0.478 O 0.597 0.080 0.186 O 0.214 0.030 0.424 O 0.403 0.580 0.314 O 0.786...
Below is a description of a material.
The chemical formula is: Nd3CuGeSe7. The Raman spectrum shows main peaks at: 126.4cm-1(0.08), 164.6cm-1(0.14), 198.0cm-1(1.0), 260.1cm-1(0.04), 298.2cm-1(0.03). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-568954
126.4cm-1(0.08), 164.6cm-1(0.14), 198.0cm-1(1.0), 260.1cm-1(0.04), 298.2cm-1(0.03)
10.48 10.48 6.03 90 90 120 Nd 0.225 0.355 0.248 Nd 0.645 0.870 0.248 Nd 0.130 0.775 0.248 Nd 0.775 0.645 0.748 Nd 0.870 0.225 0.748 Nd 0.355 0.130 0.748 Cu 0.000 0.000 0.722 Cu 0.000 0.000 0.222 Ge 0.333 0.667 0.830 Ge 0.667 0.333 0.330 Se 0.333 0.667 0.443 Se 0.904 0.483 0.490 Se 0.906 0.163 0.232 Se 0.743 0.906 0.732...
Below is a description of a material.
The chemical formula is: Sr3P2O8. The Raman spectrum shows main peaks at: 393.7cm-1(0.14), 541.7cm-1(0.04), 918.8cm-1(1.0), 971.4cm-1(0.15). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-4632
393.7cm-1(0.14), 541.7cm-1(0.04), 918.8cm-1(1.0), 971.4cm-1(0.15)
7.28 7.28 7.28 43 43 43 O 0.748 0.276 0.276 O 0.276 0.276 0.748 O 0.276 0.748 0.276 O 0.724 0.252 0.724 O 0.252 0.724 0.724 O 0.671 0.671 0.671 O 0.329 0.329 0.329 O 0.724 0.724 0.252 P 0.407 0.407 0.407 P 0.593 0.593 0.593 Sr 0.206 0.206 0.206 Sr 0.794 0.794 0.794 Sr -0.000 1.000 1.000
Below is a description of a material.
The chemical formula is: K2TiS3. The Raman spectrum shows main peaks at: 112.1cm-1(0.06), 169.3cm-1(0.27), 236.2cm-1(0.27), 336.4cm-1(1.0), 470.1cm-1(0.18). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-28766
112.1cm-1(0.06), 169.3cm-1(0.27), 236.2cm-1(0.27), 336.4cm-1(1.0), 470.1cm-1(0.18)
7.17 7.17 6.46 93 93 70 S 0.650 0.350 0.250 S 0.350 0.650 0.750 S 0.121 0.154 0.001 S 0.846 0.879 0.499 S 0.154 0.121 0.501 S 0.879 0.846 0.999 K 0.823 0.493 0.719 K 0.493 0.823 0.219 K 0.507 0.177 0.781 K 0.177 0.507 0.281 Ti 0.085 0.915 0.750 Ti 0.915 0.085 0.250
Below is a description of a material.
The chemical formula is: K3GeTe3. 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-27331
73.9cm-1(1.0)
10.47 10.47 9.57 94 94 80 K 0.755 0.791 0.290 K 0.209 0.245 0.210 K 0.245 0.209 0.710 K 0.791 0.755 0.790 K 0.615 0.207 0.364 K 0.793 0.385 0.136 K 0.385 0.793 0.636 K 0.207 0.615 0.864 K 0.400 0.600 0.250 K 0.600 0.400 0.750 K 0.095 0.905 0.250 K 0.905 0.095 0.750 Ge 0.923 0.435 0.543 Ge 0.565 0.077 0.957 Ge 0.077 0.5...
Below is a description of a material.
The chemical formula is: NaAsO2. The Raman spectrum shows main peaks at: 135.9cm-1(0.09), 193.2cm-1(0.7), 217.1cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-3468
135.9cm-1(0.09), 193.2cm-1(0.7), 217.1cm-1(1.0)
5.11 14.26 6.78 90 90 90 O 0.069 0.120 0.306 O 0.569 0.380 0.694 O 0.431 0.880 0.806 O 0.931 0.620 0.194 O 0.931 0.880 0.694 O 0.431 0.620 0.306 O 0.569 0.120 0.194 O 0.069 0.380 0.806 O 0.210 0.090 0.927 O 0.710 0.410 0.073 O 0.290 0.910 0.427 O 0.210 0.410 0.427 O 0.790 0.910 0.073 O 0.290 0.590 0.927 O 0.710 0.090 0...
Below is a description of a material.
The chemical formula is: Sr2BrN. The Raman spectrum shows main peaks at: 198.0cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-23056
198.0cm-1(1.0)
7.62 7.62 7.62 29 29 29 N 0.500 0.500 0.500 Br 0.000 0.000 0.000 Sr 0.772 0.772 0.772 Sr 0.228 0.228 0.228
Below is a description of a material.
The chemical formula is: ErBi2BrO4. The Raman spectrum shows main peaks at: 59.5cm-1(0.03), 126.4cm-1(0.09), 298.2cm-1(0.19), 441.5cm-1(0.08), 470.1cm-1(0.05), 546.5cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-546621
59.5cm-1(0.03), 126.4cm-1(0.09), 298.2cm-1(0.19), 441.5cm-1(0.08), 470.1cm-1(0.05), 546.5cm-1(1.0)
3.85 3.85 9.07 90 90 90 O 0.000 0.500 0.148 O 0.000 0.500 0.852 O 0.500 0.000 0.852 O 0.500 0.000 0.148 Bi 0.500 0.500 0.272 Bi 0.500 0.500 0.728 Er 0.000 0.000 0.000 Br 0.000 0.000 0.500
Below is a description of a material.
The chemical formula is: SrBiIO2. The Raman spectrum shows main peaks at: 78.6cm-1(0.06), 121.6cm-1(0.06), 164.6cm-1(0.1), 226.6cm-1(0.03), 269.6cm-1(0.11), 398.5cm-1(0.03), 517.8cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-552547
78.6cm-1(0.06), 121.6cm-1(0.06), 164.6cm-1(0.1), 226.6cm-1(0.03), 269.6cm-1(0.11), 398.5cm-1(0.03), 517.8cm-1(1.0)
7.31 7.31 5.75 90 90 132 Bi 0.576 0.424 0.750 Bi 0.424 0.576 0.250 O 0.267 0.267 0.000 O 0.267 0.267 0.500 O 0.733 0.733 0.500 O 0.733 0.733 0.000 Sr 0.906 0.094 0.750 Sr 0.094 0.906 0.250 I 0.245 0.755 0.750 I 0.755 0.245 0.250
Below is a description of a material.
The chemical formula is: Sr2PbO4. The Raman spectrum shows main peaks at: 331.7cm-1(0.04), 379.4cm-1(0.11), 398.5cm-1(0.07), 494.0cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-20944
331.7cm-1(0.04), 379.4cm-1(0.11), 398.5cm-1(0.07), 494.0cm-1(1.0)
6.15 10.09 3.51 90 90 90 O 0.134 0.805 0.000 O 0.866 0.195 0.000 O 0.634 0.695 0.000 O 0.366 0.305 0.000 O 0.274 0.551 0.500 O 0.726 0.449 0.500 O 0.226 0.051 0.500 O 0.774 0.949 0.500 Sr 0.425 0.819 0.500 Sr 0.575 0.181 0.500 Sr 0.925 0.681 0.500 Sr 0.075 0.319 0.500 Pb 0.500 0.500 0.000 Pb 0.000 0.000 0.000
Below is a description of a material.
The chemical formula is: Pr2Be2GeO7. The Raman spectrum shows main peaks at: 245.7cm-1(0.04), 274.4cm-1(0.05), 341.2cm-1(0.08), 379.4cm-1(0.13), 446.2cm-1(0.06), 484.4cm-1(0.04), 594.2cm-1(0.04), 718.3cm-1(0.18), 799.5cm-1(1.0), 871.1cm-1(0.08). Generate atomic structure description with lattice lengths, angles, coordi...
mp-14415
245.7cm-1(0.04), 274.4cm-1(0.05), 341.2cm-1(0.08), 379.4cm-1(0.13), 446.2cm-1(0.06), 484.4cm-1(0.04), 594.2cm-1(0.04), 718.3cm-1(0.18), 799.5cm-1(1.0), 871.1cm-1(0.08)
7.60 7.60 4.90 90 90 90 Be 0.366 0.866 0.040 Be 0.134 0.366 0.960 Be 0.634 0.134 0.040 Be 0.866 0.634 0.960 O 0.326 0.423 0.795 O 0.423 0.674 0.205 O 0.826 0.077 0.205 O 0.174 0.923 0.205 O 0.923 0.826 0.795 O 0.077 0.174 0.795 O 0.000 0.500 0.830 O 0.500 0.000 0.170 O 0.858 0.642 0.282 O 0.642 0.142 0.718 O 0.358 0.85...
Below is a description of a material.
The chemical formula is: Na2MgCl4. The Raman spectrum shows main peaks at: 112.1cm-1(0.04), 193.2cm-1(0.13), 231.4cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-28657
112.1cm-1(0.04), 193.2cm-1(0.13), 231.4cm-1(1.0)
6.88 11.79 3.79 90 90 90 Na 0.085 0.681 0.500 Na 0.915 0.319 0.500 Na 0.415 0.181 0.500 Na 0.585 0.819 0.500 Mg 0.500 0.500 0.000 Mg 0.000 0.000 0.000 Cl 0.121 0.196 0.000 Cl 0.879 0.804 0.000 Cl 0.621 0.304 0.000 Cl 0.379 0.696 0.000 Cl 0.236 0.956 0.500 Cl 0.764 0.044 0.500 Cl 0.736 0.544 0.500 Cl 0.264 0.456 0.500
Below is a description of a material.
The chemical formula is: SmBrO. The Raman spectrum shows main peaks at: 116.8cm-1(0.41), 193.2cm-1(0.06), 374.6cm-1(0.9), 513.1cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-29327
116.8cm-1(0.41), 193.2cm-1(0.06), 374.6cm-1(0.9), 513.1cm-1(1.0)
3.91 3.91 8.05 90 90 90 O 0.000 0.000 0.000 O 0.500 0.500 0.000 Br 0.000 0.500 0.658 Br 0.500 0.000 0.342 Sm 0.500 0.000 0.855 Sm 0.000 0.500 0.145
Below is a description of a material.
The chemical formula is: Tl2PdCl4. The Raman spectrum shows main peaks at: 93.0cm-1(0.18), 198.0cm-1(0.69), 303.0cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-29889
93.0cm-1(0.18), 198.0cm-1(0.69), 303.0cm-1(1.0)
7.00 7.00 4.13 90 90 90 Cl 0.769 0.769 0.000 Cl 0.231 0.769 0.000 Cl 0.769 0.231 0.000 Cl 0.231 0.231 0.000 Pd 0.000 0.000 0.000 Tl 0.500 0.000 0.500 Tl 0.000 0.500 0.500
Below is a description of a material.
The chemical formula is: LaBrO. The Raman spectrum shows main peaks at: 121.6cm-1(0.09), 317.3cm-1(1.0), 412.8cm-1(0.83). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-23023
121.6cm-1(0.09), 317.3cm-1(1.0), 412.8cm-1(0.83)
4.11 4.11 7.35 90 90 90 O 0.000 0.000 0.000 O 0.500 0.500 0.000 Br 0.500 0.000 0.636 Br 0.000 0.500 0.364 La 0.000 0.500 0.838 La 0.500 0.000 0.162
Below is a description of a material.
The chemical formula is: La2TeO6. The Raman spectrum shows main peaks at: 298.2cm-1(0.04), 350.8cm-1(0.05), 412.8cm-1(0.06), 436.7cm-1(0.08), 470.1cm-1(0.04), 570.4cm-1(0.08), 608.5cm-1(0.1), 661.1cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-17350
298.2cm-1(0.04), 350.8cm-1(0.05), 412.8cm-1(0.06), 436.7cm-1(0.08), 470.1cm-1(0.04), 570.4cm-1(0.08), 608.5cm-1(0.1), 661.1cm-1(1.0)
5.50 9.43 10.34 90 90 90 O 0.302 0.638 0.175 O 0.802 0.862 0.825 O 0.698 0.138 0.325 O 0.198 0.362 0.675 O 0.719 0.612 0.563 O 0.219 0.888 0.437 O 0.281 0.112 0.937 O 0.781 0.388 0.063 O 0.677 0.136 0.745 O 0.177 0.364 0.255 O 0.323 0.636 0.755 O 0.823 0.864 0.245 O 0.669 0.446 0.782 O 0.169 0.054 0.218 O 0.331 0.946 0...
Below is a description of a material.
The chemical formula is: ZrS3. The Raman spectrum shows main peaks at: 140.7cm-1(0.05), 217.1cm-1(0.05), 241.0cm-1(0.04), 274.4cm-1(0.14), 312.6cm-1(0.19), 508.3cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-9921
140.7cm-1(0.05), 217.1cm-1(0.05), 241.0cm-1(0.04), 274.4cm-1(0.14), 312.6cm-1(0.19), 508.3cm-1(1.0)
5.08 3.60 9.00 90 97 90 S 0.880 0.750 0.672 S 0.120 0.250 0.328 S 0.238 0.250 0.945 S 0.762 0.750 0.055 S 0.527 0.250 0.327 S 0.473 0.750 0.673 Zr 0.284 0.750 0.154 Zr 0.716 0.250 0.846
Below is a description of a material.
The chemical formula is: Y2NCl3. The Raman spectrum shows main peaks at: 83.4cm-1(0.03), 169.3cm-1(0.22), 193.2cm-1(0.69), 226.6cm-1(0.15), 283.9cm-1(0.09), 369.8cm-1(1.0), 455.8cm-1(0.32), 603.8cm-1(0.52). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-28580
83.4cm-1(0.03), 169.3cm-1(0.22), 193.2cm-1(0.69), 226.6cm-1(0.15), 283.9cm-1(0.09), 369.8cm-1(1.0), 455.8cm-1(0.32), 603.8cm-1(0.52)
8.03 8.03 10.46 119 119 27 N 0.577 0.577 0.157 N 0.423 0.423 0.843 Cl 0.950 0.950 0.253 Cl 0.050 0.050 0.747 Cl 0.338 0.338 0.488 Cl 0.662 0.662 0.512 Cl 0.227 0.227 0.116 Cl 0.773 0.773 0.884 Y 0.138 0.138 0.293 Y 0.862 0.862 0.707 Y 0.412 0.412 0.046 Y 0.588 0.588 0.954
Below is a description of a material.
The chemical formula is: Sr4LiB3N6. The Raman spectrum shows main peaks at: 355.5cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-9723
355.5cm-1(1.0)
6.40 6.40 6.40 109 109 109 Li 0.000 0.000 0.000 B 0.500 0.500 0.000 B 0.500 0.000 0.500 B 0.000 0.500 0.500 N 0.682 0.000 0.682 N 0.318 0.318 0.000 N 0.318 0.000 0.318 N 0.000 0.682 0.682 N 0.000 0.318 0.318 N 0.682 0.682 0.000 Sr 0.000 0.000 0.500 Sr 0.000 0.500 0.000 Sr 0.500 0.000 0.000 Sr 0.500 0.500 0.500
Below is a description of a material.
The chemical formula is: Ca2Al2O5. The Raman spectrum shows main peaks at: 260.1cm-1(0.03), 336.4cm-1(0.06), 379.4cm-1(0.04), 446.2cm-1(0.1), 494.0cm-1(0.5), 689.7cm-1(0.07), 756.5cm-1(1.0), 809.0cm-1(0.12). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-10444
260.1cm-1(0.03), 336.4cm-1(0.06), 379.4cm-1(0.04), 446.2cm-1(0.1), 494.0cm-1(0.5), 689.7cm-1(0.07), 756.5cm-1(1.0), 809.0cm-1(0.12)
8.09 8.09 8.09 55 141 142 O 0.500 0.263 0.258 O 0.005 0.241 0.742 O 0.005 0.763 0.263 O 0.500 0.741 0.737 O 0.981 0.865 0.616 O 0.249 0.365 0.384 O 0.577 0.379 0.917 O 0.461 0.660 0.083 O 0.577 0.160 0.699 O 0.461 0.879 0.301 Al 0.504 0.004 0.500 Al 0.504 0.504 1.000 Al 0.380 0.204 0.676 Al 0.528 0.704 0.324 Ca 0.022 0...
Below is a description of a material.
The chemical formula is: SmRhO3. The Raman spectrum shows main peaks at: 264.8cm-1(0.12), 307.8cm-1(0.17), 331.7cm-1(0.56), 374.6cm-1(0.06), 422.4cm-1(0.44), 465.3cm-1(1.0), 508.3cm-1(0.21), 556.0cm-1(0.65). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-3317
264.8cm-1(0.12), 307.8cm-1(0.17), 331.7cm-1(0.56), 374.6cm-1(0.06), 422.4cm-1(0.44), 465.3cm-1(1.0), 508.3cm-1(0.21), 556.0cm-1(0.65)
5.81 7.64 5.23 90 90 90 O 0.693 0.945 0.822 O 0.807 0.055 0.322 O 0.193 0.555 0.678 O 0.307 0.445 0.178 O 0.307 0.055 0.178 O 0.193 0.945 0.678 O 0.807 0.445 0.322 O 0.693 0.555 0.822 O 0.540 0.750 0.380 O 0.960 0.250 0.880 O 0.040 0.750 0.120 O 0.460 0.250 0.620 Rh 0.500 0.000 0.500 Rh 0.000 0.000 0.000 Rh 0.000 0.500...
Below is a description of a material.
The chemical formula is: CsCu3S2. The Raman spectrum shows main peaks at: 255.3cm-1(0.09), 365.1cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-7786
255.3cm-1(0.09), 365.1cm-1(1.0)
5.24 5.24 6.49 90 90 120 S 0.667 0.333 0.236 S 0.333 0.667 0.764 Cu 0.000 0.500 0.000 Cu 0.500 0.500 0.000 Cu 0.500 0.000 0.000 Cs 0.000 0.000 0.500
Below is a description of a material.
The chemical formula is: Rb2AgSbS4. The Raman spectrum shows main peaks at: 88.2cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-557540
88.2cm-1(1.0)
8.18 10.76 12.83 90 126 90 Rb 0.388 0.011 0.767 Rb 0.862 0.270 0.504 Rb 0.862 0.230 0.004 Rb 0.388 0.489 0.267 Rb 0.138 0.770 0.996 Rb 0.138 0.730 0.496 Rb 0.612 0.989 0.233 Rb 0.612 0.511 0.733 Ag 0.150 0.969 0.274 Ag 0.850 0.031 0.726 Ag 0.150 0.531 0.774 Ag 0.850 0.469 0.226 Sb 0.316 0.278 0.960 Sb 0.684 0.722 0.040...
Below is a description of a material.
The chemical formula is: CdI2. The Raman spectrum shows main peaks at: 107.3cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-571538
107.3cm-1(1.0)
4.22 4.22 68.48 90 90 120 Cd 0.000 0.000 0.225 Cd 0.667 0.333 0.925 Cd 0.000 0.000 0.025 Cd 0.333 0.667 0.825 Cd 0.000 0.000 0.425 Cd 0.667 0.333 0.525 Cd 0.667 0.333 0.725 Cd 0.667 0.333 0.325 Cd 0.667 0.333 0.125 Cd 0.333 0.667 0.625 I 0.333 0.667 0.100 I 0.667 0.333 0.450 I 0.000 0.000 0.650 I 0.333 0.667 0.300 I 0....
Below is a description of a material.
The chemical formula is: RbPrS2. The Raman spectrum shows main peaks at: 202.8cm-1(1.0), 250.5cm-1(0.28). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-9362
202.8cm-1(1.0), 250.5cm-1(0.28)
7.99 7.99 7.99 30 30 30 S 0.767 0.767 0.767 S 0.233 0.233 0.233 Rb 0.000 0.000 0.000 Pr 0.500 0.500 0.500
Below is a description of a material.
The chemical formula is: TbCuSe2. The Raman spectrum shows main peaks at: 64.3cm-1(0.25), 88.2cm-1(0.8), 102.5cm-1(0.55), 121.6cm-1(0.86), 145.5cm-1(0.26), 169.3cm-1(0.88), 183.7cm-1(0.95), 198.0cm-1(0.82), 207.5cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-12984
64.3cm-1(0.25), 88.2cm-1(0.8), 102.5cm-1(0.55), 121.6cm-1(0.86), 145.5cm-1(0.26), 169.3cm-1(0.88), 183.7cm-1(0.95), 198.0cm-1(0.82), 207.5cm-1(1.0)
6.45 7.24 6.98 90 95 90 Cu 0.433 0.662 0.956 Cu 0.567 0.338 0.044 Cu 0.433 0.838 0.456 Cu 0.567 0.162 0.544 Se 0.925 0.222 0.502 Se 0.925 0.278 0.002 Se 0.075 0.722 0.998 Se 0.075 0.778 0.498 Se 0.607 0.608 0.281 Se 0.393 0.108 0.219 Se 0.393 0.392 0.719 Se 0.607 0.892 0.781 Tb 0.195 0.458 0.301 Tb 0.805 0.958 0.199 Tb...
Below is a description of a material.
The chemical formula is: Sc2S3. The Raman spectrum shows main peaks at: 193.2cm-1(0.09), 264.8cm-1(1.0), 293.5cm-1(0.56), 326.9cm-1(0.16), 346.0cm-1(0.14). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-401
193.2cm-1(0.09), 264.8cm-1(1.0), 293.5cm-1(0.56), 326.9cm-1(0.16), 346.0cm-1(0.14)
12.06 11.51 6.31 79 69 30 S 0.006 0.494 0.494 S 0.494 0.006 0.006 S 0.244 0.756 0.756 S 0.756 0.244 0.244 S 0.409 0.928 0.585 S 0.078 0.585 0.928 S 0.585 0.078 0.409 S 0.928 0.409 0.078 S 0.841 0.322 0.665 S 0.172 0.665 0.322 S 0.665 0.172 0.841 S 0.322 0.841 0.172 Sc 0.334 0.334 0.166 Sc 0.166 0.166 0.334 Sc 0.916 0.9...
Below is a description of a material.
The chemical formula is: NdCuO2. The Raman spectrum shows main peaks at: 360.3cm-1(1.0), 665.8cm-1(0.64). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-4886
360.3cm-1(1.0), 665.8cm-1(0.64)
6.03 6.03 6.03 35 35 35 O 0.106 0.106 0.106 O 0.894 0.894 0.894 Cu 0.000 0.000 0.000 Nd 0.500 0.500 0.500
Below is a description of a material.
The chemical formula is: YScO3. The Raman spectrum shows main peaks at: 207.5cm-1(0.18), 231.4cm-1(0.18), 264.8cm-1(0.17), 317.3cm-1(0.41), 346.0cm-1(0.1), 379.4cm-1(0.2), 441.5cm-1(0.98), 455.8cm-1(1.0), 494.0cm-1(0.27), 508.3cm-1(0.44), 656.3cm-1(0.03). Generate atomic structure description with lattice lengths, angl...
mp-755165
207.5cm-1(0.18), 231.4cm-1(0.18), 264.8cm-1(0.17), 317.3cm-1(0.41), 346.0cm-1(0.1), 379.4cm-1(0.2), 441.5cm-1(0.98), 455.8cm-1(1.0), 494.0cm-1(0.27), 508.3cm-1(0.44), 656.3cm-1(0.03)
5.69 7.88 5.39 90 90 90 Y 0.936 0.750 0.980 Y 0.564 0.250 0.480 Y 0.436 0.750 0.520 Y 0.064 0.250 0.020 Sc 0.000 0.000 0.500 Sc 0.500 0.500 0.000 Sc 0.500 0.000 0.000 Sc 0.000 0.500 0.500 O 0.942 0.250 0.631 O 0.806 0.431 0.191 O 0.806 0.069 0.191 O 0.694 0.569 0.691 O 0.694 0.931 0.691 O 0.558 0.750 0.131 O 0.442 0.25...
Below is a description of a material.
The chemical formula is: Sr4Al6TeO12. The Raman spectrum shows main peaks at: 78.6cm-1(0.31), 112.1cm-1(0.12), 183.7cm-1(0.19), 279.1cm-1(0.04), 398.5cm-1(0.64), 422.4cm-1(0.4), 608.5cm-1(0.13), 665.8cm-1(1.0), 904.5cm-1(0.12). Generate atomic structure description with lattice lengths, angles, coordinates and atom typ...
mp-9392
78.6cm-1(0.31), 112.1cm-1(0.12), 183.7cm-1(0.19), 279.1cm-1(0.04), 398.5cm-1(0.64), 422.4cm-1(0.4), 608.5cm-1(0.13), 665.8cm-1(1.0), 904.5cm-1(0.12)
8.13 8.13 8.13 109 109 109 O 0.384 0.688 0.384 O 0.000 0.304 0.616 O 0.696 0.312 0.696 O 0.304 0.616 0.000 O 0.384 0.384 0.688 O 0.616 0.000 0.304 O 0.000 0.616 0.304 O 0.312 0.696 0.696 O 0.688 0.384 0.384 O 0.696 0.696 0.312 O 0.616 0.304 0.000 O 0.304 0.000 0.616 Al 0.750 0.250 0.500 Al 0.250 0.750 0.500 Al 0.500 0....
Below is a description of a material.
The chemical formula is: Nb2TlPS10. The Raman spectrum shows main peaks at: 73.9cm-1(0.04), 150.3cm-1(0.06), 183.7cm-1(0.06), 250.5cm-1(0.09), 293.5cm-1(0.46), 326.9cm-1(0.11), 365.1cm-1(0.69), 408.0cm-1(0.78), 527.4cm-1(0.69), 536.9cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordina...
mp-560847
73.9cm-1(0.04), 150.3cm-1(0.06), 183.7cm-1(0.06), 250.5cm-1(0.09), 293.5cm-1(0.46), 326.9cm-1(0.11), 365.1cm-1(0.69), 408.0cm-1(0.78), 527.4cm-1(0.69), 536.9cm-1(1.0)
6.92 7.31 13.01 90 106 90 Nb 0.684 0.557 0.841 Nb 0.684 0.443 0.341 Nb 0.676 0.565 0.129 Nb 0.676 0.435 0.629 Tl 0.266 0.011 0.397 Tl 0.266 0.989 0.897 P 0.829 0.910 0.008 P 0.829 0.090 0.508 S 0.628 0.091 0.598 S 0.942 0.356 0.526 S 0.617 0.667 0.477 S 0.956 0.611 0.751 S 0.414 0.371 0.174 S 0.938 0.350 0.802 S 0.938 ...
Below is a description of a material.
The chemical formula is: InF3. The Raman spectrum shows main peaks at: 212.3cm-1(1.0), 403.3cm-1(0.02). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-6949
212.3cm-1(1.0), 403.3cm-1(0.02)
5.75 5.75 5.75 55 55 55 F 0.750 0.119 0.381 F 0.119 0.381 0.750 F 0.619 0.250 0.881 F 0.881 0.619 0.250 F 0.250 0.881 0.619 F 0.381 0.750 0.119 In 0.500 0.500 0.500 In 0.000 0.000 0.000
Below is a description of a material.
The chemical formula is: Na2AsAu. The Raman spectrum shows main peaks at: 126.4cm-1(0.27), 178.9cm-1(0.45), 226.6cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-7773
126.4cm-1(0.27), 178.9cm-1(0.45), 226.6cm-1(1.0)
5.60 5.60 5.83 90 90 76 Na 0.474 0.165 0.250 Na 0.526 0.835 0.750 Na 0.835 0.526 0.250 Na 0.165 0.474 0.750 As 0.710 0.290 0.750 As 0.290 0.710 0.250 Au 1.000 0.000 0.500 Au 1.000 0.000 0.000
Below is a description of a material.
The chemical formula is: Cs3TaS4. The Raman spectrum shows main peaks at: 78.6cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-17054
78.6cm-1(1.0)
9.85 11.43 9.94 90 90 90 S 0.206 0.750 0.744 S 0.706 0.750 0.756 S 0.294 0.250 0.244 S 0.794 0.250 0.256 S 0.010 0.750 0.427 S 0.510 0.750 0.073 S 0.490 0.250 0.927 S 0.990 0.250 0.573 S 0.665 0.414 0.548 S 0.165 0.086 0.952 S 0.835 0.586 0.048 S 0.335 0.914 0.452 S 0.335 0.586 0.452 S 0.665 0.086 0.548 S 0.165 0.414 0...
Below is a description of a material.
The chemical formula is: Er2CN2O2. The Raman spectrum shows main peaks at: 97.7cm-1(0.03), 217.1cm-1(1.0), 489.2cm-1(0.59), 503.5cm-1(0.78). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-6574
97.7cm-1(0.03), 217.1cm-1(1.0), 489.2cm-1(0.59), 503.5cm-1(0.78)
3.64 3.64 8.07 90 90 120 C 0.000 0.000 0.500 N 0.000 0.000 0.653 N 0.000 0.000 0.347 O 0.333 0.667 0.898 O 0.667 0.333 0.102 Er 0.667 0.333 0.824 Er 0.333 0.667 0.176
Below is a description of a material.
The chemical formula is: Tl2SnF6. The Raman spectrum shows main peaks at: 202.8cm-1(0.03), 431.9cm-1(0.06), 532.2cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-10401
202.8cm-1(0.03), 431.9cm-1(0.06), 532.2cm-1(1.0)
6.01 6.01 4.80 90 90 120 F 0.840 0.160 0.229 F 0.319 0.160 0.229 F 0.840 0.681 0.229 F 0.160 0.840 0.771 F 0.681 0.840 0.771 F 0.160 0.319 0.771 Sn 0.000 0.000 0.000 Tl 0.667 0.333 0.691 Tl 0.333 0.667 0.309
Below is a description of a material.
The chemical formula is: Na3PS4. The Raman spectrum shows main peaks at: 269.6cm-1(0.34), 393.7cm-1(1.0), 513.1cm-1(0.21). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-985584
269.6cm-1(0.34), 393.7cm-1(1.0), 513.1cm-1(0.21)
5.99 5.99 5.99 109 109 109 Na 0.000 0.500 0.500 Na 0.500 0.500 0.000 Na 0.500 0.000 0.500 P 0.000 0.000 0.000 S 0.344 0.000 0.000 S 0.656 0.656 0.656 S 0.000 0.000 0.344 S 1.000 0.344 1.000
Below is a description of a material.
The chemical formula is: Tl2SnO3. The Raman spectrum shows main peaks at: 102.5cm-1(0.42), 126.4cm-1(0.12), 193.2cm-1(0.07), 241.0cm-1(0.12), 307.8cm-1(0.16), 388.9cm-1(0.13), 441.5cm-1(0.23), 474.9cm-1(0.15), 503.5cm-1(0.14), 556.0cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinat...
mp-540586
102.5cm-1(0.42), 126.4cm-1(0.12), 193.2cm-1(0.07), 241.0cm-1(0.12), 307.8cm-1(0.16), 388.9cm-1(0.13), 441.5cm-1(0.23), 474.9cm-1(0.15), 503.5cm-1(0.14), 556.0cm-1(1.0)
10.20 3.25 12.36 90 90 90 Tl 0.633 0.750 0.104 Tl 0.367 0.250 0.896 Tl 0.133 0.750 0.396 Tl 0.867 0.250 0.604 Tl 0.792 0.750 0.349 Tl 0.208 0.250 0.651 Tl 0.292 0.750 0.151 Tl 0.708 0.250 0.849 Sn 0.960 0.250 0.111 Sn 0.040 0.750 0.889 Sn 0.460 0.250 0.389 Sn 0.540 0.750 0.611 O 0.892 0.750 0.009 O 0.108 0.250 0.991 O ...
Below is a description of a material.
The chemical formula is: CdAu2F8. The Raman spectrum shows main peaks at: 174.1cm-1(0.03), 217.1cm-1(0.05), 551.3cm-1(0.25), 579.9cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-29169
174.1cm-1(0.03), 217.1cm-1(0.05), 551.3cm-1(0.25), 579.9cm-1(1.0)
5.75 5.75 10.31 90 90 90 F 0.692 0.851 0.630 F 0.308 0.149 0.630 F 0.851 0.692 0.870 F 0.851 0.308 0.630 F 0.149 0.692 0.630 F 0.308 0.851 0.870 F 0.851 0.692 0.130 F 0.308 0.851 0.130 F 0.692 0.149 0.130 F 0.851 0.308 0.370 F 0.149 0.692 0.370 F 0.149 0.308 0.130 F 0.692 0.851 0.370 F 0.308 0.149 0.370 F 0.149 0.308 0...
Below is a description of a material.
The chemical formula is: K2PdCl6. The Raman spectrum shows main peaks at: 155.0cm-1(0.23), 288.7cm-1(0.22), 317.3cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-23067
155.0cm-1(0.23), 288.7cm-1(0.22), 317.3cm-1(1.0)
6.84 6.84 6.84 60 60 60 Cl 0.239 0.761 0.761 Cl 0.239 0.761 0.239 Cl 0.761 0.239 0.761 Cl 0.761 0.239 0.239 Cl 0.761 0.761 0.239 Cl 0.239 0.239 0.761 K 0.750 0.750 0.750 K 0.250 0.250 0.250 Pd 0.000 0.000 0.000
Below is a description of a material.
The chemical formula is: Ca3Al2N4. The Raman spectrum shows main peaks at: 121.6cm-1(0.04), 155.0cm-1(0.08), 178.9cm-1(0.05), 236.2cm-1(0.43), 269.6cm-1(0.28), 312.6cm-1(0.32), 341.2cm-1(0.12), 388.9cm-1(0.06), 408.0cm-1(0.09), 436.7cm-1(0.45), 474.9cm-1(0.68), 508.3cm-1(0.27), 579.9cm-1(0.85), 608.5cm-1(0.48), 627.6cm...
mp-570258
121.6cm-1(0.04), 155.0cm-1(0.08), 178.9cm-1(0.05), 236.2cm-1(0.43), 269.6cm-1(0.28), 312.6cm-1(0.32), 341.2cm-1(0.12), 388.9cm-1(0.06), 408.0cm-1(0.09), 436.7cm-1(0.45), 474.9cm-1(0.68), 508.3cm-1(0.27), 579.9cm-1(0.85), 608.5cm-1(0.48), 627.6cm-1(1.0), 684.9cm-1(0.68), 742.2cm-1(0.27)
6.67 6.67 5.48 91 91 76 Ca 0.978 0.253 0.546 Ca 0.022 0.747 0.454 Ca 0.399 0.601 0.750 Ca 0.601 0.399 0.250 Ca 0.253 0.978 0.046 Ca 0.747 0.022 0.954 Al 0.823 0.585 0.911 Al 0.177 0.415 0.089 Al 0.415 0.177 0.589 Al 0.585 0.823 0.411 N 0.941 0.301 0.020 N 0.587 0.737 0.079 N 0.699 0.059 0.480 N 0.737 0.587 0.579 N 0.30...
Below is a description of a material.
The chemical formula is: Sr4P2O. The Raman spectrum shows main peaks at: 78.6cm-1(0.41), 131.2cm-1(0.52), 250.5cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-8298
78.6cm-1(0.41), 131.2cm-1(0.52), 250.5cm-1(1.0)
8.61 8.61 8.61 147 147 46 O 0.500 0.500 0.000 P 0.135 0.135 0.000 P 0.865 0.865 0.000 Sr 0.325 0.325 0.000 Sr 0.675 0.675 0.000 Sr 0.000 0.500 0.500 Sr 0.500 -0.000 0.500
Below is a description of a material.
The chemical formula is: SmBi2BrO4. The Raman spectrum shows main peaks at: 59.5cm-1(0.07), 116.8cm-1(0.18), 298.2cm-1(0.35), 417.6cm-1(0.31), 451.0cm-1(0.23), 527.4cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-550111
59.5cm-1(0.07), 116.8cm-1(0.18), 298.2cm-1(0.35), 417.6cm-1(0.31), 451.0cm-1(0.23), 527.4cm-1(1.0)
3.91 3.91 9.13 90 90 90 O 0.500 0.000 0.155 O 0.500 0.000 0.845 O 0.000 0.500 0.845 O 0.000 0.500 0.155 Sm 0.000 0.000 0.000 Bi 0.500 0.500 0.276 Bi 0.500 0.500 0.724 Br 0.000 0.000 0.500
Below is a description of a material.
The chemical formula is: La2Te4O11. The Raman spectrum shows main peaks at: 150.3cm-1(0.13), 198.0cm-1(0.25), 221.9cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-31249
150.3cm-1(0.13), 198.0cm-1(0.25), 221.9cm-1(1.0)
6.87 6.87 16.37 104 104 45 O 0.864 0.136 0.250 O 0.136 0.864 0.750 O 0.906 0.794 0.326 O 0.206 0.094 0.174 O 0.094 0.206 0.674 O 0.794 0.906 0.826 O 0.566 0.383 0.396 O 0.617 0.434 0.104 O 0.434 0.617 0.604 O 0.383 0.566 0.896 O 0.194 0.952 0.452 O 0.048 0.806 0.048 O 0.178 0.324 0.868 O 0.676 0.822 0.632 O 0.822 0.676...
Below is a description of a material.
The chemical formula is: KLiYF5. The Raman spectrum shows main peaks at: 112.1cm-1(0.12), 159.8cm-1(0.4), 188.4cm-1(0.44), 217.1cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-556237
112.1cm-1(0.12), 159.8cm-1(0.4), 188.4cm-1(0.44), 217.1cm-1(1.0)
6.44 11.72 6.27 90 113 90 K 0.946 0.151 0.961 K 0.946 0.349 0.461 K 0.054 0.651 0.539 K 0.054 0.849 0.039 Li 0.440 0.255 0.539 Li 0.440 0.245 0.039 Li 0.560 0.745 0.461 Li 0.560 0.755 0.961 Y 0.318 0.003 0.680 Y 0.682 0.997 0.320 Y 0.318 0.497 0.180 Y 0.682 0.503 0.820 F 0.709 0.326 0.720 F 0.537 0.395 0.036 F 0.291 0....
Below is a description of a material.
The chemical formula is: ZnIn2Te4. The Raman spectrum shows main peaks at: 64.3cm-1(0.09), 97.7cm-1(1.0), 121.6cm-1(0.35), 150.3cm-1(0.33), 159.8cm-1(0.33). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-20832
64.3cm-1(0.09), 97.7cm-1(1.0), 121.6cm-1(0.35), 150.3cm-1(0.33), 159.8cm-1(0.33)
7.50 7.50 7.50 131 131 70 Zn 0.000 0.000 0.000 In 0.500 0.500 -0.000 In 0.250 0.750 0.500 Te 0.658 0.135 0.061 Te 0.403 0.342 0.477 Te 0.865 0.926 0.523 Te 0.074 0.597 0.939
Below is a description of a material.
The chemical formula is: CsCdN3O6. The Raman spectrum shows main peaks at: 112.1cm-1(0.06), 140.7cm-1(0.07), 241.0cm-1(0.04), 393.7cm-1(0.2), 828.1cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-6628
112.1cm-1(0.06), 140.7cm-1(0.07), 241.0cm-1(0.04), 393.7cm-1(0.2), 828.1cm-1(1.0)
5.44 5.44 5.44 90 90 90 N 0.960 0.528 0.930 N 0.930 0.960 0.528 N 0.528 0.930 0.960 O 0.933 0.757 0.420 O 0.757 0.420 0.933 O 0.394 0.934 0.149 O 0.934 0.149 0.394 O 0.149 0.394 0.934 O 0.420 0.933 0.757 Cd 0.980 0.980 0.980 Cs 0.445 0.445 0.445
Below is a description of a material.
The chemical formula is: RbNdS2. The Raman spectrum shows main peaks at: 207.5cm-1(1.0), 255.3cm-1(0.28). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-9363
207.5cm-1(1.0), 255.3cm-1(0.28)
7.98 7.98 7.98 30 30 30 S 0.233 0.233 0.233 S 0.767 0.767 0.767 Rb 0.000 0.000 0.000 Nd 0.500 0.500 0.500
Below is a description of a material.
The chemical formula is: RbLiCl2. The Raman spectrum shows main peaks at: 83.4cm-1(0.14), 126.4cm-1(1.0), 298.2cm-1(0.59), 379.4cm-1(0.59). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-28243
83.4cm-1(0.14), 126.4cm-1(1.0), 298.2cm-1(0.59), 379.4cm-1(0.59)
7.46 7.46 7.15 90 90 148 Rb 0.371 0.629 0.250 Rb 0.629 0.371 0.750 Li 0.896 0.104 0.750 Li 0.104 0.896 0.250 Cl 0.000 0.000 0.000 Cl 0.000 0.000 0.500 Cl 0.690 0.310 0.250 Cl 0.310 0.690 0.750
Below is a description of a material.
The chemical formula is: KBO2. The Raman spectrum shows main peaks at: 102.5cm-1(0.04), 174.1cm-1(0.04), 374.6cm-1(0.05), 455.8cm-1(0.17), 594.2cm-1(1.0), 670.6cm-1(0.08), 747.0cm-1(0.2). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-3919
102.5cm-1(0.04), 174.1cm-1(0.04), 374.6cm-1(0.05), 455.8cm-1(0.17), 594.2cm-1(1.0), 670.6cm-1(0.08), 747.0cm-1(0.2)
7.79 7.79 7.79 110 110 110 B 0.250 0.363 0.137 B 0.750 0.637 0.863 B 0.637 0.863 0.750 B 0.863 0.750 0.637 B 0.363 0.137 0.250 B 0.137 0.250 0.363 O 0.358 0.250 0.142 O 0.142 0.358 0.250 O 0.750 0.858 0.642 O 0.250 0.142 0.358 O 0.642 0.750 0.858 O 0.858 0.642 0.750 O 0.034 0.250 0.466 O 0.466 0.034 0.250 O 0.250 0.466...
Below is a description of a material.
The chemical formula is: Nd3CuGeS7. The Raman spectrum shows main peaks at: 131.2cm-1(0.06), 178.9cm-1(0.11), 207.5cm-1(0.06), 260.1cm-1(1.0), 288.7cm-1(0.12). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-554150
131.2cm-1(0.06), 178.9cm-1(0.11), 207.5cm-1(0.06), 260.1cm-1(1.0), 288.7cm-1(0.12)
10.06 10.06 5.75 90 90 120 Nd 0.229 0.357 0.251 Nd 0.357 0.128 0.751 Nd 0.771 0.643 0.751 Nd 0.128 0.771 0.251 Nd 0.872 0.229 0.751 Nd 0.643 0.872 0.251 Cu 0.000 0.000 0.775 Cu 0.000 0.000 0.275 Ge 0.667 0.333 0.170 Ge 0.333 0.667 0.670 S 0.838 0.747 0.265 S 0.909 0.162 0.265 S 0.162 0.253 0.765 S 0.898 0.481 0.015 S 0...
Below is a description of a material.
The chemical formula is: In2Sn3S7. The Raman spectrum shows main peaks at: 126.4cm-1(0.05), 207.5cm-1(0.06), 279.1cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-616255
126.4cm-1(0.05), 207.5cm-1(0.06), 279.1cm-1(1.0)
11.31 3.78 12.83 90 105 90 In 0.973 0.250 0.613 In 0.027 0.750 0.387 In 0.988 0.750 0.876 In 0.012 0.250 0.124 Sn 0.392 0.250 0.386 Sn 0.684 0.750 0.996 Sn 0.608 0.750 0.614 Sn 0.670 0.750 0.279 Sn 0.330 0.250 0.721 Sn 0.316 0.250 0.004 S 0.377 0.750 0.527 S 0.142 0.750 0.066 S 0.412 0.750 0.259 S 0.884 0.750 0.180 S 0...
Below is a description of a material.
The chemical formula is: Cs3Ge4Au. The Raman spectrum shows main peaks at: 193.2cm-1(1.0), 260.1cm-1(0.77). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-510341
193.2cm-1(1.0), 260.1cm-1(0.77)
7.09 12.92 6.11 90 90 90 Au 0.000 0.500 0.302 Au 0.500 0.000 0.698 Ge 0.308 0.000 0.065 Ge 0.692 0.000 0.065 Ge 0.808 0.500 0.935 Ge 0.192 0.500 0.935 Ge 0.000 0.394 0.666 Ge 0.000 0.606 0.666 Ge 0.500 0.106 0.334 Ge 0.500 0.894 0.334 Cs 0.000 0.766 0.156 Cs 0.000 0.234 0.156 Cs 0.500 0.734 0.844 Cs 0.500 0.266 0.844 C...
Below is a description of a material.
The chemical formula is: Cs2GeCl6. The Raman spectrum shows main peaks at: 183.7cm-1(0.21), 212.3cm-1(0.05), 293.5cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-27882
183.7cm-1(0.21), 212.3cm-1(0.05), 293.5cm-1(1.0)
7.21 7.21 7.21 60 60 60 Cl 0.773 0.227 0.773 Cl 0.227 0.227 0.773 Cl 0.773 0.773 0.227 Cl 0.227 0.773 0.227 Cl 0.227 0.773 0.773 Cl 0.773 0.227 0.227 Ge 0.000 0.000 0.000 Cs 0.750 0.750 0.750 Cs 0.250 0.250 0.250
Below is a description of a material.
The chemical formula is: NdBr3. The Raman spectrum shows main peaks at: 131.2cm-1(0.92), 150.3cm-1(1.0), 169.3cm-1(0.9). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-27975
131.2cm-1(0.92), 150.3cm-1(1.0), 169.3cm-1(0.9)
6.87 6.87 9.06 90 90 145 Br 0.649 0.351 0.435 Br 0.351 0.649 0.565 Br 0.086 0.914 0.750 Br 0.914 0.086 0.250 Br 0.649 0.351 0.065 Br 0.351 0.649 0.935 Nd 0.258 0.742 0.250 Nd 0.742 0.258 0.750
Below is a description of a material.
The chemical formula is: CsKCl2O8. The Raman spectrum shows main peaks at: 441.5cm-1(0.12), 594.2cm-1(0.09), 890.2cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-554015
441.5cm-1(0.12), 594.2cm-1(0.09), 890.2cm-1(1.0)
8.08 8.08 8.08 41 41 41 Cs 0.500 0.500 0.500 K -0.000 -0.000 1.000 Cl 0.264 0.264 0.264 Cl 0.736 0.736 0.736 O 0.897 0.480 0.897 O 0.670 0.670 0.670 O 0.103 0.520 0.103 O 0.480 0.897 0.897 O 0.520 0.103 0.103 O 0.103 0.103 0.520 O 0.330 0.330 0.330 O 0.897 0.897 0.480
Below is a description of a material.
The chemical formula is: Ba2HfO4. The Raman spectrum shows main peaks at: 88.2cm-1(0.02), 150.3cm-1(0.18), 221.9cm-1(0.22), 541.7cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-754363
88.2cm-1(0.02), 150.3cm-1(0.18), 221.9cm-1(0.22), 541.7cm-1(1.0)
7.34 7.34 7.34 147 147 47 Ba 0.647 0.647 0.000 Ba 0.353 0.353 1.000 Hf 0.000 0.000 0.000 O 0.000 0.500 0.500 O 0.500 0.000 0.500 O 0.844 0.844 1.000 O 0.156 0.156 1.000
Below is a description of a material.
The chemical formula is: Al2Se3. The Raman spectrum shows main peaks at: 112.1cm-1(0.19), 150.3cm-1(1.0), 288.7cm-1(0.11), 417.6cm-1(0.6). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-11674
112.1cm-1(0.19), 150.3cm-1(1.0), 288.7cm-1(0.11), 417.6cm-1(0.6)
6.73 6.73 7.33 116 116 59 Al 0.555 0.363 0.872 Al 0.363 0.555 0.372 Al 0.866 0.734 0.884 Al 0.734 0.866 0.384 Se 0.923 0.091 0.013 Se 0.091 0.923 0.513 Se 0.242 0.404 0.985 Se 0.404 0.242 0.485 Se 0.561 0.762 0.996 Se 0.762 0.561 0.496
Below is a description of a material.
The chemical formula is: Na2CdCl4. The Raman spectrum shows main peaks at: 116.8cm-1(0.07), 178.9cm-1(0.13), 231.4cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-28658
116.8cm-1(0.07), 178.9cm-1(0.13), 231.4cm-1(1.0)
6.98 11.81 3.92 90 90 90 Na 0.091 0.683 0.500 Na 0.909 0.317 0.500 Na 0.409 0.183 0.500 Na 0.591 0.817 0.500 Cl 0.746 0.544 0.500 Cl 0.254 0.456 0.500 Cl 0.124 0.205 0.000 Cl 0.876 0.795 0.000 Cl 0.624 0.295 0.000 Cl 0.376 0.705 0.000 Cl 0.246 0.956 0.500 Cl 0.754 0.044 0.500 Cd 0.500 0.500 0.000 Cd 0.000 0.000 0.000
Below is a description of a material.
The chemical formula is: LaNbO4. The Raman spectrum shows main peaks at: 116.8cm-1(0.04), 217.1cm-1(0.03), 312.6cm-1(0.27), 388.9cm-1(0.07), 417.6cm-1(0.08), 608.5cm-1(0.06), 656.3cm-1(0.1), 780.4cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-542724
116.8cm-1(0.04), 217.1cm-1(0.03), 312.6cm-1(0.27), 388.9cm-1(0.07), 417.6cm-1(0.08), 608.5cm-1(0.06), 656.3cm-1(0.1), 780.4cm-1(1.0)
6.77 6.77 5.18 110 110 115 La 0.630 0.370 0.250 La 0.370 0.630 0.750 Nb 0.100 0.900 0.250 Nb 0.900 0.100 0.750 O 0.795 0.732 0.803 O 0.268 0.205 0.697 O 0.205 0.268 0.197 O 0.732 0.795 0.303 O 0.055 0.644 0.339 O 0.356 0.945 0.161 O 0.945 0.356 0.661 O 0.644 0.055 0.839
Below is a description of a material.
The chemical formula is: Ba2CuIO2. The Raman spectrum shows main peaks at: 131.2cm-1(0.11), 155.0cm-1(0.06), 264.8cm-1(1.0), 288.7cm-1(0.15), 322.1cm-1(0.12), 346.0cm-1(0.06), 589.4cm-1(0.11), 603.8cm-1(0.07), 670.6cm-1(0.05). Generate atomic structure description with lattice lengths, angles, coordinates and atom type...
mp-561179
131.2cm-1(0.11), 155.0cm-1(0.06), 264.8cm-1(1.0), 288.7cm-1(0.15), 322.1cm-1(0.12), 346.0cm-1(0.06), 589.4cm-1(0.11), 603.8cm-1(0.07), 670.6cm-1(0.05)
10.96 4.38 13.93 90 91 90 Ba 0.409 0.250 0.177 Ba 0.199 0.750 0.393 Ba 0.331 0.250 0.643 Ba 0.801 0.250 0.607 Ba 0.591 0.750 0.823 Ba 0.084 0.750 0.904 Ba 0.916 0.250 0.096 Ba 0.669 0.750 0.357 Cu 0.166 0.750 0.153 Cu 0.834 0.250 0.847 Cu 0.569 0.750 0.593 Cu 0.431 0.250 0.407 I 0.349 0.250 0.913 I 0.066 0.750 0.643 I ...
Below is a description of a material.
The chemical formula is: NaLuS2. The Raman spectrum shows main peaks at: 221.9cm-1(1.0), 283.9cm-1(0.75). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-9035
221.9cm-1(1.0), 283.9cm-1(0.75)
6.94 6.94 6.94 32 32 32 Na 0.500 0.500 0.500 S 0.741 0.741 0.741 S 0.259 0.259 0.259 Lu -0.000 -0.000 1.000
Below is a description of a material.
The chemical formula is: VFeSb. The Raman spectrum shows main peaks at: 221.9cm-1(1.0), 283.9cm-1(0.19). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-567636
221.9cm-1(1.0), 283.9cm-1(0.19)
4.04 4.04 4.04 60 60 60 V 0.000 0.000 0.000 Fe 0.250 0.250 0.250 Sb 0.500 0.500 0.500
Below is a description of a material.
The chemical formula is: Sm2Ta2Cl2O7. The Raman spectrum shows main peaks at: 112.1cm-1(0.03), 241.0cm-1(0.03), 279.1cm-1(0.13), 312.6cm-1(0.16), 365.1cm-1(0.13), 460.6cm-1(0.05), 594.2cm-1(0.39), 642.0cm-1(0.35), 684.9cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom t...
mp-554623
112.1cm-1(0.03), 241.0cm-1(0.03), 279.1cm-1(0.13), 312.6cm-1(0.16), 365.1cm-1(0.13), 460.6cm-1(0.05), 594.2cm-1(0.39), 642.0cm-1(0.35), 684.9cm-1(1.0)
7.86 7.86 6.84 113 113 28 Sm 0.693 0.693 0.664 Sm 0.307 0.307 0.336 Ta 0.035 0.035 0.301 Ta 0.965 0.965 0.699 Cl 0.320 0.320 0.935 Cl 0.680 0.680 0.065 O 0.547 0.547 0.342 O 0.453 0.453 0.658 O 0.083 0.083 0.655 O 0.000 -0.000 0.000 O 0.177 0.177 0.435 O 0.917 0.917 0.345 O 0.823 0.823 0.565
Below is a description of a material.
The chemical formula is: SmSbO4. The Raman spectrum shows main peaks at: 269.6cm-1(0.11), 312.6cm-1(0.04), 384.2cm-1(0.38), 417.6cm-1(0.08), 460.6cm-1(0.04), 489.2cm-1(0.06), 527.4cm-1(0.31), 675.4cm-1(0.25), 708.8cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-13196
269.6cm-1(0.11), 312.6cm-1(0.04), 384.2cm-1(0.38), 417.6cm-1(0.08), 460.6cm-1(0.04), 489.2cm-1(0.06), 527.4cm-1(0.31), 675.4cm-1(0.25), 708.8cm-1(1.0)
7.62 5.44 7.59 90 99 90 O 0.117 0.019 0.672 O 0.883 0.519 0.828 O 0.883 0.981 0.328 O 0.117 0.481 0.172 O 0.332 0.373 0.940 O 0.668 0.873 0.560 O 0.668 0.627 0.060 O 0.332 0.127 0.440 O 0.171 0.001 0.125 O 0.829 0.501 0.375 O 0.829 0.999 0.875 O 0.171 0.499 0.625 O 0.566 0.094 0.195 O 0.434 0.594 0.305 O 0.434 0.906 0....
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(0.12), 303.0cm-1(0.4). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-1943
126.4cm-1(1.0), 202.8cm-1(0.12), 303.0cm-1(0.4)
3.74 3.74 16.37 90 90 120 Ga 0.333 0.667 0.824 Ga 0.667 0.333 0.324 Ga 0.667 0.333 0.176 Ga 0.333 0.667 0.676 Se 0.333 0.667 0.396 Se 0.667 0.333 0.896 Se 0.667 0.333 0.604 Se 0.333 0.667 0.104
Below is a description of a material.
The chemical formula is: Rb2B2Se7. The Raman spectrum shows main peaks at: 255.3cm-1(1.0), 570.4cm-1(0.16), 599.0cm-1(0.04), 632.4cm-1(0.11), 656.3cm-1(0.06). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-16184
255.3cm-1(1.0), 570.4cm-1(0.16), 599.0cm-1(0.04), 632.4cm-1(0.11), 656.3cm-1(0.06)
8.71 8.71 12.55 118 118 49 B 0.847 0.386 0.348 B 0.614 0.153 0.152 B 0.153 0.614 0.652 B 0.386 0.847 0.848 Se 0.427 0.831 0.017 Se 0.169 0.573 0.483 Se 0.573 0.169 0.983 Se 0.831 0.427 0.517 Se 0.606 0.852 0.833 Se 0.148 0.394 0.667 Se 0.394 0.148 0.167 Se 0.852 0.606 0.333 Se 0.098 0.066 0.768 Se 0.934 0.902 0.732 Se ...
Below is a description of a material.
The chemical formula is: As2Se3. The Raman spectrum shows main peaks at: 102.5cm-1(0.09), 131.2cm-1(0.08), 178.9cm-1(0.54), 193.2cm-1(1.0), 241.0cm-1(0.98), 264.8cm-1(0.26). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-909
102.5cm-1(0.09), 131.2cm-1(0.08), 178.9cm-1(0.54), 193.2cm-1(1.0), 241.0cm-1(0.98), 264.8cm-1(0.26)
4.06 9.74 12.75 90 108 90 As 0.351 0.193 0.260 As 0.649 0.693 0.240 As 0.649 0.807 0.740 As 0.351 0.307 0.760 As 0.087 0.330 0.486 As 0.913 0.830 0.014 As 0.913 0.670 0.514 As 0.087 0.170 0.986 Se 0.880 0.114 0.400 Se 0.120 0.614 0.100 Se 0.120 0.886 0.600 Se 0.880 0.386 0.900 Se 0.327 0.416 0.342 Se 0.673 0.916 0.158 ...
Below is a description of a material.
The chemical formula is: MgBe2As2. The Raman spectrum shows main peaks at: 93.0cm-1(0.04), 198.0cm-1(0.02), 388.9cm-1(1.0), 455.8cm-1(0.26). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-865185
93.0cm-1(0.04), 198.0cm-1(0.02), 388.9cm-1(1.0), 455.8cm-1(0.26)
3.76 3.76 6.39 90 90 120 Mg 0.000 0.000 0.000 Be 0.667 0.333 0.375 Be 0.333 0.667 0.625 As 0.333 0.667 0.264 As 0.667 0.333 0.736
Below is a description of a material.
The chemical formula is: GeTe. The Raman spectrum shows main peaks at: 88.2cm-1(1.0), 135.9cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-938
88.2cm-1(1.0), 135.9cm-1(1.0)
4.26 4.26 4.26 58 58 58 Ge 0.997 0.997 0.997 Te 0.524 0.524 0.524
Below is a description of a material.
The chemical formula is: BaHCl. The Raman spectrum shows main peaks at: 155.0cm-1(0.02), 789.9cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-23861
155.0cm-1(0.02), 789.9cm-1(1.0)
4.35 4.35 7.12 90 90 90 H 0.500 0.500 0.000 H 0.000 0.000 0.000 Cl 0.500 0.000 0.656 Cl 0.000 0.500 0.344 Ba 0.000 0.500 0.791 Ba 0.500 0.000 0.209
Below is a description of a material.
The chemical formula is: K2Nb3Cl9. The Raman spectrum shows main peaks at: 112.1cm-1(0.54), 131.2cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-28501
112.1cm-1(0.54), 131.2cm-1(1.0)
9.75 9.75 9.56 102 102 117 Cl 0.912 0.118 0.317 Cl 0.108 0.501 0.325 Cl 0.726 0.726 0.285 Cl 0.274 0.274 0.715 Cl 0.501 0.108 0.325 Cl 0.892 0.499 0.675 Cl 0.318 0.318 0.334 Cl 0.682 0.682 0.666 Cl 0.794 0.206 -0.000 Cl 0.206 0.794 -0.000 Cl 0.118 0.912 0.317 Cl 0.594 0.802 0.983 Cl 0.802 0.594 0.983 Cl 0.406 0.198 0.0...
Below is a description of a material.
The chemical formula is: WS2. The Raman spectrum shows main peaks at: 355.5cm-1(0.69), 417.6cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-224
355.5cm-1(0.69), 417.6cm-1(1.0)
3.15 3.15 12.57 90 90 120 W 0.667 0.333 0.750 W 0.333 0.667 0.250 S 0.667 0.333 0.125 S 0.333 0.667 0.625 S 0.667 0.333 0.375 S 0.333 0.667 0.875
Below is a description of a material.
The chemical formula is: Ho2Be2SiO7. The Raman spectrum shows main peaks at: 298.2cm-1(0.1), 374.6cm-1(0.13), 417.6cm-1(0.11), 455.8cm-1(0.06), 489.2cm-1(0.16), 756.5cm-1(0.05), 799.5cm-1(0.05), 875.9cm-1(0.36), 909.3cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom typ...
mp-7013
298.2cm-1(0.1), 374.6cm-1(0.13), 417.6cm-1(0.11), 455.8cm-1(0.06), 489.2cm-1(0.16), 756.5cm-1(0.05), 799.5cm-1(0.05), 875.9cm-1(0.36), 909.3cm-1(1.0)
7.24 7.24 4.72 90 90 90 Be 0.638 0.138 0.958 Be 0.862 0.638 0.042 Be 0.362 0.862 0.958 Be 0.138 0.362 0.042 O 0.359 0.859 0.293 O 0.141 0.359 0.707 O 0.641 0.141 0.293 O 0.859 0.641 0.707 O 0.000 0.500 0.184 O 0.500 0.000 0.816 O 0.837 0.082 0.796 O 0.082 0.163 0.204 O 0.918 0.837 0.204 O 0.163 0.918 0.796 O 0.663 0.58...
Below is a description of a material.
The chemical formula is: Y6UO12. The Raman spectrum shows main peaks at: 331.7cm-1(0.12), 369.8cm-1(0.17), 388.9cm-1(0.07), 503.5cm-1(0.11), 718.3cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-27698
331.7cm-1(0.12), 369.8cm-1(0.17), 388.9cm-1(0.07), 503.5cm-1(0.11), 718.3cm-1(1.0)
6.49 6.49 6.49 99 99 99 O 0.429 0.177 0.588 O 0.177 0.588 0.429 O 0.588 0.429 0.177 O 0.571 0.823 0.412 O 0.823 0.412 0.571 O 0.412 0.571 0.823 O 0.047 0.923 0.690 O 0.310 0.953 0.077 O 0.077 0.310 0.953 O 0.953 0.077 0.310 O 0.690 0.047 0.923 O 0.923 0.690 0.047 Y 0.679 0.390 0.855 Y 0.390 0.855 0.679 Y 0.855 0.679 0....
Below is a description of a material.
The chemical formula is: Na2PtO3. The Raman spectrum shows main peaks at: 241.0cm-1(0.05), 374.6cm-1(0.04), 412.8cm-1(0.06), 503.5cm-1(1.0), 570.4cm-1(0.45). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-557450
241.0cm-1(0.05), 374.6cm-1(0.04), 412.8cm-1(0.06), 503.5cm-1(1.0), 570.4cm-1(0.45)
5.45 5.45 10.68 94 94 120 Na 0.085 0.915 0.750 Na 0.160 0.320 1.000 Na 0.915 0.085 0.250 Na 0.680 0.840 0.500 Na 0.840 0.680 0.000 Na 0.500 1.000 1.000 Na 0.320 0.160 0.500 Na 1.000 0.500 0.500 Pt 0.249 0.751 0.250 Pt 0.582 0.418 0.250 Pt 0.751 0.249 0.750 Pt 0.418 0.582 0.750 O 0.312 0.481 0.354 O 0.589 0.119 0.354 O ...
Below is a description of a material.
The chemical formula is: AlPO4. The Raman spectrum shows main peaks at: 97.7cm-1(0.04), 178.9cm-1(0.41), 260.1cm-1(0.98), 365.1cm-1(1.0), 422.4cm-1(0.11), 455.8cm-1(0.47), 699.2cm-1(0.16). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-4051
97.7cm-1(0.04), 178.9cm-1(0.41), 260.1cm-1(0.98), 365.1cm-1(1.0), 422.4cm-1(0.11), 455.8cm-1(0.47), 699.2cm-1(0.16)
5.08 5.08 7.11 90 90 90 O 0.740 0.584 0.812 O 0.260 0.416 0.312 O 0.584 0.740 0.188 O 0.416 0.260 0.688 O 0.762 0.118 0.917 O 0.238 0.882 0.417 O 0.118 0.762 0.083 O 0.882 0.238 0.583 Al 0.797 0.797 0.000 Al 0.203 0.203 0.500 P 0.702 0.298 0.750 P 0.298 0.702 0.250
Below is a description of a material.
The chemical formula is: Dy2S3. The Raman spectrum shows main peaks at: 83.4cm-1(0.11), 140.7cm-1(0.12), 159.8cm-1(0.14), 183.7cm-1(0.21), 217.1cm-1(0.26), 250.5cm-1(0.84), 264.8cm-1(0.88), 283.9cm-1(0.85), 312.6cm-1(1.0), 326.9cm-1(0.61). Generate atomic structure description with lattice lengths, angles, coordinates ...
mp-1270
83.4cm-1(0.11), 140.7cm-1(0.12), 159.8cm-1(0.14), 183.7cm-1(0.21), 217.1cm-1(0.26), 250.5cm-1(0.84), 264.8cm-1(0.88), 283.9cm-1(0.85), 312.6cm-1(1.0), 326.9cm-1(0.61)
10.53 3.82 10.25 90 90 90 S 0.728 0.250 0.301 S 0.272 0.750 0.699 S 0.772 0.750 0.801 S 0.228 0.250 0.199 S 0.380 0.250 0.944 S 0.620 0.750 0.056 S 0.120 0.750 0.444 S 0.880 0.250 0.556 S 0.045 0.250 0.874 S 0.955 0.750 0.126 S 0.455 0.750 0.374 S 0.545 0.250 0.626 Dy 0.807 0.250 0.998 Dy 0.193 0.750 0.002 Dy 0.693 0.7...
Below is a description of a material.
The chemical formula is: HfPbS3. The Raman spectrum shows main peaks at: 121.6cm-1(0.22), 183.7cm-1(0.15), 217.1cm-1(0.81), 255.3cm-1(0.13), 298.2cm-1(0.14), 331.7cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-22147
121.6cm-1(0.22), 183.7cm-1(0.15), 217.1cm-1(0.81), 255.3cm-1(0.13), 298.2cm-1(0.14), 331.7cm-1(1.0)
8.94 3.72 13.69 90 90 90 S 0.512 0.750 0.394 S 0.488 0.250 0.606 S 0.012 0.750 0.106 S 0.988 0.250 0.894 S 0.669 0.750 0.988 S 0.331 0.250 0.012 S 0.169 0.750 0.512 S 0.831 0.250 0.488 S 0.729 0.250 0.217 S 0.271 0.750 0.783 S 0.229 0.250 0.283 S 0.771 0.750 0.717 Hf 0.665 0.750 0.551 Hf 0.335 0.250 0.449 Hf 0.165 0.75...
Below is a description of a material.
The chemical formula is: UBi2O6. The Raman spectrum shows main peaks at: 250.5cm-1(0.04), 298.2cm-1(0.03), 532.2cm-1(0.3), 632.4cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-548598
250.5cm-1(0.04), 298.2cm-1(0.03), 532.2cm-1(0.3), 632.4cm-1(1.0)
3.85 3.85 9.61 90 90 120 O 0.667 0.333 0.580 O 0.333 0.667 0.420 O 0.667 0.333 0.954 O 0.333 0.667 0.046 O 0.000 0.000 0.211 O 0.000 0.000 0.789 Bi 0.667 0.333 0.342 Bi 0.333 0.667 0.658 U 0.000 0.000 0.000
Below is a description of a material.
The chemical formula is: MoS2. The Raman spectrum shows main peaks at: 384.2cm-1(0.49), 408.0cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-1434
384.2cm-1(0.49), 408.0cm-1(1.0)
6.49 6.49 6.49 28 28 28 S 0.416 0.416 0.416 S 0.250 0.250 0.250 Mo 1.000 1.000 1.000
Below is a description of a material.
The chemical formula is: ErCuS2. The Raman spectrum shows main peaks at: 93.0cm-1(0.24), 135.9cm-1(0.07), 221.9cm-1(0.34), 322.1cm-1(1.0), 369.8cm-1(0.19). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-12454
93.0cm-1(0.24), 135.9cm-1(0.07), 221.9cm-1(0.34), 322.1cm-1(1.0), 369.8cm-1(0.19)
13.11 3.86 6.14 90 90 90 S 0.295 0.750 0.256 S 0.705 0.250 0.744 S 0.205 0.250 0.756 S 0.795 0.750 0.244 S 0.458 0.750 0.748 S 0.958 0.750 0.752 S 0.042 0.250 0.248 S 0.542 0.250 0.252 Cu 0.458 0.750 0.129 Cu 0.042 0.250 0.629 Cu 0.542 0.250 0.871 Cu 0.958 0.750 0.371 Er 0.632 0.750 0.505 Er 0.368 0.250 0.495 Er 0.868 ...
Below is a description of a material.
The chemical formula is: Ca2AsI. The Raman spectrum shows main peaks at: 231.4cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-28554
231.4cm-1(1.0)
7.75 7.75 7.75 32 32 32 Ca 0.768 0.768 0.768 Ca 0.232 0.232 0.232 As 0.500 0.500 0.500 I 0.000 0.000 1.000
Below is a description of a material.
The chemical formula is: K2GeTe4. The Raman spectrum shows main peaks at: 64.3cm-1(1.0). Generate atomic structure description with lattice lengths, angles, coordinates and atom types.
mp-28126
64.3cm-1(1.0)
12.56 8.26 10.10 90 103 90 K 0.648 0.064 0.796 K 0.352 0.564 0.704 K 0.352 0.936 0.204 K 0.648 0.436 0.296 K 0.956 0.438 0.793 K 0.044 0.938 0.707 K 0.044 0.562 0.207 K 0.956 0.062 0.293 Ge 0.257 0.354 0.034 Ge 0.743 0.854 0.466 Ge 0.743 0.646 0.966 Ge 0.257 0.146 0.534 Te 0.434 0.254 0.961 Te 0.566 0.754 0.539 Te 0.56...
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