action_type stringclasses 13
values | problem_id stringlengths 36 36 | mp_id stringlengths 6 10 | action_prompt stringlengths 39 448 | input stringlengths 1.11k 8.33k | output stringlengths 595 61.6k |
|---|---|---|---|---|---|
ChangeAtomAction | 8e61359a-8ccf-4546-afb1-605c275246cc | mp-1229180 | Change the atom at index 20 into Mc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ag8Sb5As3S16
_chemical_formula_sum "Ag8 Sb5 As3 S16"
_cell_length_a 5.973633
_cell_length_b 8.81196699
_cell_length_c 13.715369
_cell_angle_alpha 95.73033089
_cell_angle_beta 90.35217693
_cell_angle_gamma 90.08628863
_space_group_n... | data_image0
_chemical_formula_structural Ag8Sb5As3S4McS11
_chemical_formula_sum "Ag8 Sb5 As3 S15 Mc1"
_cell_length_a 5.973633
_cell_length_b 8.81196699
_cell_length_c 13.715369
_cell_angle_alpha 95.73033089
_cell_angle_beta 90.35217693
_cell_angle_gamma 90.08628863
_space... |
ChangeAtomAction | cca6658f-e439-42ca-9de8-2850121a6e40 | mp-1232387 | Change the atom at index 13 into V in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Y8Mg4S16
_chemical_formula_sum "Y8 Mg4 S16"
_cell_length_a 7.962579
_cell_length_b 7.298803
_cell_length_c 11.468396
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural Y8Mg4SVS14
_chemical_formula_sum "Y8 Mg4 S15 V1"
_cell_length_a 7.962579
_cell_length_b 7.298803
_cell_length_c 11.468396
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
ChangeAtomAction | 7bf7adca-3a77-4c12-bb74-2a73bfcf5f71 | mp-1216954 | Change the atom at index 7 into Ga in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tm6Sc6Ge6
_chemical_formula_sum "Tm6 Sc6 Ge6"
_cell_length_a 6.11750201
_cell_length_b 8.67726062
_cell_length_c 9.09550533
_cell_angle_alpha 58.399634080000006
_cell_angle_beta 90.00032653
_cell_angle_gamma 90.00560102
_space_grou... | data_image0
_chemical_formula_structural Tm6ScGaSc4Ge6
_chemical_formula_sum "Tm6 Sc5 Ga1 Ge6"
_cell_length_a 6.11750201
_cell_length_b 8.67726062
_cell_length_c 9.09550533
_cell_angle_alpha 58.399634080000006
_cell_angle_beta 90.00032653
_cell_angle_gamma 90.00560102
_sp... |
ChangeAtomAction | 589ac3c5-ca83-4ac7-9e10-2081a351cb44 | mp-2426125 | Change the atom at index 14 into Pa in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg18Sn10
_chemical_formula_sum "Mg18 Sn10"
_cell_length_a 8.88839894
_cell_length_b 8.888398940000002
_cell_length_c 8.88839933
_cell_angle_alpha 96.87517038
_cell_angle_beta 96.87517036999999
_cell_angle_gamma 96.87516981
_space_g... | data_image0
_chemical_formula_structural Mg14PaMg3Sn10
_chemical_formula_sum "Mg17 Pa1 Sn10"
_cell_length_a 8.88839894
_cell_length_b 8.888398940000002
_cell_length_c 8.88839933
_cell_angle_alpha 96.87517038
_cell_angle_beta 96.87517036999999
_cell_angle_gamma 96.87516981
... |
ChangeAtomAction | 02e671ab-453d-4c2a-8c66-58f21c6dd53c | mp-1174883 | Change the atom at index 22 into Am in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 5.09190036
_cell_length_b 5.09190036
_cell_length_c 18.027240309999996
_cell_angle_alpha 83.42724665
_cell_angle_beta 83.42724665
_cell_angle_gamma 32.6933560999999... | data_image0
_chemical_formula_structural Li8Mn2Co4O8AmO5
_chemical_formula_sum "Li8 Mn2 Co4 O13 Am1"
_cell_length_a 5.09190036
_cell_length_b 5.09190036
_cell_length_c 18.027240309999996
_cell_angle_alpha 83.42724665
_cell_angle_beta 83.42724665
_cell_angle_gamma 32.693356... |
ChangeAtomAction | 0f0de7b6-076e-4489-9bde-8854fb85b127 | mp-1106406 | Change the atom at index 13 into Na in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ce4Sn2S10
_chemical_formula_sum "Ce4 Sn2 S10"
_cell_length_a 3.93351799
_cell_length_b 7.87728947
_cell_length_c 11.4720556
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Ce4Sn2S7NaS2
_chemical_formula_sum "Ce4 Sn2 S9 Na1"
_cell_length_a 3.93351799
_cell_length_b 7.87728947
_cell_length_c 11.4720556
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
ChangeAtomAction | ed0d6b8d-6c73-4705-90e1-ff2abd41a9b6 | mp-541006 | Change the atom at index 7 into Po in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba4Tl4V4O16
_chemical_formula_sum "Ba4 Tl4 V4 O16"
_cell_length_a 6.013787
_cell_length_b 8.022234
_cell_length_c 10.631409
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Ba4Tl3PoV4O16
_chemical_formula_sum "Ba4 Tl3 Po1 V4 O16"
_cell_length_a 6.013787
_cell_length_b 8.022234
_cell_length_c 10.631409
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
ChangeAtomAction | f5ccc8c8-3ed9-492e-9af2-37c75c9c0d86 | mp-1211876 | Change the atom at index 30 into P in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4Hf24C4Cl60
_chemical_formula_sum "K4 Hf24 C4 Cl60"
_cell_length_a 9.739911
_cell_length_b 13.94139
_cell_length_c 18.577338
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural K4Hf24C2PCCl60
_chemical_formula_sum "K4 Hf24 C3 P1 Cl60"
_cell_length_a 9.739911
_cell_length_b 13.94139
_cell_length_c 18.577338
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
ChangeAtomAction | be723382-38cd-42f8-8e63-0d5e339bf9c2 | mp-2232781 | Change the atom at index 4 into Np in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgTi4Pb2O9F2
_chemical_formula_sum "Mg1 Ti4 Pb2 O9 F2"
_cell_length_a 3.75899027
_cell_length_b 8.611130359999999
_cell_length_c 7.98888701
_cell_angle_alpha 88.15670280999998
_cell_angle_beta 76.39283241
_cell_angle_gamma 77.392941... | data_image0
_chemical_formula_structural MgTi3NpPb2O9F2
_chemical_formula_sum "Mg1 Ti3 Np1 Pb2 O9 F2"
_cell_length_a 3.75899027
_cell_length_b 8.611130359999999
_cell_length_c 7.98888701
_cell_angle_alpha 88.15670280999998
_cell_angle_beta 76.39283241
_cell_angle_gamma 77.... |
ChangeAtomAction | 538cdcea-7ffa-4856-8563-69282b985183 | mp-1211275 | Change the atom at index 1 into F in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural KMg3Si4O12
_chemical_formula_sum "K1 Mg3 Si4 O12"
_cell_length_a 5.31933259
_cell_length_b 5.31933259
_cell_length_c 10.37244294
_cell_angle_alpha 85.73575754
_cell_angle_beta 85.73575754
_cell_angle_gamma 120.82269515
_space_group... | data_image0
_chemical_formula_structural KFMg2Si4O12
_chemical_formula_sum "K1 F1 Mg2 Si4 O12"
_cell_length_a 5.31933259
_cell_length_b 5.31933259
_cell_length_c 10.37244294
_cell_angle_alpha 85.73575754
_cell_angle_beta 85.73575754
_cell_angle_gamma 120.82269515
_space_g... |
ChangeAtomAction | 0428178d-6060-4203-ac68-5a3ca7349ffe | mp-568136 | Change the atom at index 4 into Rg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb6V6Br18
_chemical_formula_sum "Rb6 V6 Br18"
_cell_length_a 12.89200448
_cell_length_b 12.891954179999999
_cell_length_c 6.45834038
_cell_angle_alpha 90.00080995
_cell_angle_beta 89.99957499999998
_cell_angle_gamma 119.999950160000... | data_image0
_chemical_formula_structural Rb4RgRbV6Br18
_chemical_formula_sum "Rb5 Rg1 V6 Br18"
_cell_length_a 12.89200448
_cell_length_b 12.891954179999999
_cell_length_c 6.45834038
_cell_angle_alpha 90.00080995
_cell_angle_beta 89.99957499999998
_cell_angle_gamma 119.9999... |
ChangeAtomAction | a27ff212-e6a8-4cc8-8f6c-a61dc5fbcf57 | mp-765621 | Change the atom at index 7 into I in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V4F20
_chemical_formula_sum "V4 F20"
_cell_length_a 13.05659519
_cell_length_b 5.37688666
_cell_length_c 4.87872772
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... | data_image0
_chemical_formula_structural V4F3IF16
_chemical_formula_sum "V4 F19 I1"
_cell_length_a 13.05659519
_cell_length_b 5.37688666
_cell_length_c 4.87872772
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
ChangeAtomAction | ea3f88ff-1f57-4805-9d68-39135c26a16a | mp-1104730 | Change the atom at index 6 into S in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm2Ni8Sn4
_chemical_formula_sum "Sm2 Ni8 Sn4"
_cell_length_a 6.71814651
_cell_length_b 6.71814651
_cell_length_c 6.7181465099999995
_cell_angle_alpha 107.69357689
_cell_angle_beta 110.36728819
_cell_angle_gamma 110.36728819
_space_... | data_image0
_chemical_formula_structural Sm2Ni4SNi3Sn4
_chemical_formula_sum "Sm2 Ni7 S1 Sn4"
_cell_length_a 6.71814651
_cell_length_b 6.71814651
_cell_length_c 6.7181465099999995
_cell_angle_alpha 107.69357689
_cell_angle_beta 110.36728819
_cell_angle_gamma 110.36728819
... |
ChangeAtomAction | 8824292d-b0e2-4fba-810f-d1e5abd20246 | mp-723254 | Change the atom at index 49 into Er in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na11Zr8Si7P5O48
_chemical_formula_sum "Na11 Zr8 Si7 P5 O48"
_cell_length_a 9.14653
_cell_length_b 9.16047102
_cell_length_c 16.214463389999995
_cell_angle_alpha 106.09077692999999
_cell_angle_beta 90.2238237
_cell_angle_gamma 119.76... | data_image0
_chemical_formula_structural Na11Zr8Si7P5O18ErO29
_chemical_formula_sum "Na11 Zr8 Si7 P5 O47 Er1"
_cell_length_a 9.14653
_cell_length_b 9.16047102
_cell_length_c 16.214463389999995
_cell_angle_alpha 106.09077692999999
_cell_angle_beta 90.2238237
_cell_angle_gamma ... |
ChangeAtomAction | ce5112e8-7d04-4271-995b-2f2d71aa4d7c | mp-1103810 | Change the atom at index 5 into Rh in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Y6Al2C6
_chemical_formula_sum "Y6 Al2 C6"
_cell_length_a 3.57785812
_cell_length_b 7.05402041
_cell_length_c 9.96492032
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Y5RhAl2C6
_chemical_formula_sum "Y5 Rh1 Al2 C6"
_cell_length_a 3.57785812
_cell_length_b 7.05402041
_cell_length_c 9.96492032
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
ChangeAtomAction | 1e8734d2-74a0-48db-8bd6-1653dd280487 | mp-1078810 | Change the atom at index 7 into Ce in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sc4Sn2Au4
_chemical_formula_sum "Sc4 Sn2 Au4"
_cell_length_a 7.58665667
_cell_length_b 7.58665667
_cell_length_c 3.54939042
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Sc4Sn2AuCeAu2
_chemical_formula_sum "Sc4 Sn2 Au3 Ce1"
_cell_length_a 7.58665667
_cell_length_b 7.58665667
_cell_length_c 3.54939042
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
ChangeAtomAction | 57712620-c4c3-4340-9c7b-6950649f54c8 | mp-768848 | Change the atom at index 21 into Ba in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tb4W6O24
_chemical_formula_sum "Tb4 W6 O24"
_cell_length_a 6.9584645
_cell_length_b 6.9584645
_cell_length_c 11.448500800000001
_cell_angle_alpha 79.13326657
_cell_angle_beta 79.13326657
_cell_angle_gamma 111.97316103
_space_group_... | data_image0
_chemical_formula_structural Tb4W6O11BaO12
_chemical_formula_sum "Tb4 W6 O23 Ba1"
_cell_length_a 6.9584645
_cell_length_b 6.9584645
_cell_length_c 11.448500800000001
_cell_angle_alpha 79.13326657
_cell_angle_beta 79.13326657
_cell_angle_gamma 111.97316103
_spa... |
ChangeAtomAction | 4a7c8e7d-924e-48a2-a825-c523d7371b4a | mp-2239931 | Change the atom at index 1 into Se in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgMo3Se4S2
_chemical_formula_sum "Mg1 Mo3 Se4 S2"
_cell_length_a 3.283263
_cell_length_b 3.28321277
_cell_length_c 36.17756637
_cell_angle_alpha 89.98550332
_cell_angle_beta 90.0
_cell_angle_gamma 120.00047585000002
_space_group_na... | data_image0
_chemical_formula_structural MgSeMo2Se4S2
_chemical_formula_sum "Mg1 Se5 Mo2 S2"
_cell_length_a 3.283263
_cell_length_b 3.28321277
_cell_length_c 36.17756637
_cell_angle_alpha 89.98550332
_cell_angle_beta 90.0
_cell_angle_gamma 120.00047585000002
_space_group_... |
ChangeAtomAction | 7af03be0-1048-45cf-9419-2996a6f3ebea | mp-1110608 | Change the atom at index 8 into I in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb2InAgF6
_chemical_formula_sum "Rb2 In1 Ag1 F6"
_cell_length_a 6.4396356
_cell_length_b 6.4396356
_cell_length_c 6.4396356
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Rb2InAgF4IF
_chemical_formula_sum "Rb2 In1 Ag1 F5 I1"
_cell_length_a 6.4396356
_cell_length_b 6.4396356
_cell_length_c 6.4396356
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... |
ChangeAtomAction | a3e96024-63aa-4463-9d17-82657c96784f | mp-725609 | Change the atom at index 4 into Sm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural C4N4O10
_chemical_formula_sum "C4 N4 O10"
_cell_length_a 4.01762
_cell_length_b 9.1395961
_cell_length_c 10.21360428
_cell_angle_alpha 88.98519127
_cell_angle_beta 89.72633846
_cell_angle_gamma 87.11571146000001
_space_group_name_H... | data_image0
_chemical_formula_structural C4SmN3O10
_chemical_formula_sum "C4 Sm1 N3 O10"
_cell_length_a 4.01762
_cell_length_b 9.1395961
_cell_length_c 10.21360428
_cell_angle_alpha 88.98519127
_cell_angle_beta 89.72633846
_cell_angle_gamma 87.11571146000001
_space_group_... |
ChangeAtomAction | f1a7cdb7-cda1-47d3-a78c-5b5eaaa91564 | mp-1246779 | Change the atom at index 16 into Li in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba10Hf4N12
_chemical_formula_sum "Ba10 Hf4 N12"
_cell_length_a 6.76065813
_cell_length_b 7.47593269
_cell_length_c 14.96414338
_cell_angle_alpha 89.99999939
_cell_angle_beta 95.29358311
_cell_angle_gamma 123.56617759
_space_group_n... | data_image0
_chemical_formula_structural Ba10Hf4N2LiN9
_chemical_formula_sum "Ba10 Hf4 N11 Li1"
_cell_length_a 6.76065813
_cell_length_b 7.47593269
_cell_length_c 14.96414338
_cell_angle_alpha 89.99999939
_cell_angle_beta 95.29358311
_cell_angle_gamma 123.56617759
_space_... |
ChangeAtomAction | 4fcac0c7-d6e8-47a0-9f97-7d292c4b13ff | mp-560911 | Change the atom at index 89 into Y in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn12B28Br4O52
_chemical_formula_sum "Mn12 B28 Br4 O52"
_cell_length_a 8.785226
_cell_length_b 8.805237
_cell_length_c 12.45452
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Mn12B28Br4O45YO6
_chemical_formula_sum "Mn12 B28 Br4 O51 Y1"
_cell_length_a 8.785226
_cell_length_b 8.805237
_cell_length_c 12.45452
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
ChangeAtomAction | ba5e3c28-efb3-4a76-84cb-e37e03024eed | mp-1227709 | Change the atom at index 18 into Pm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Bi2P6Pb6O24
_chemical_formula_sum "Bi2 P6 Pb6 O24"
_cell_length_a 9.16329836
_cell_length_b 9.163298359999999
_cell_length_c 9.13296043
_cell_angle_alpha 70.48711050999998
_cell_angle_beta 70.48711050999998
_cell_angle_gamma 109.421... | data_image0
_chemical_formula_structural Bi2P6Pb6O4PmO19
_chemical_formula_sum "Bi2 P6 Pb6 O23 Pm1"
_cell_length_a 9.16329836
_cell_length_b 9.163298359999999
_cell_length_c 9.13296043
_cell_angle_alpha 70.48711050999998
_cell_angle_beta 70.48711050999998
_cell_angle_gamma ... |
ChangeAtomAction | 1f76730c-78be-43a6-9cc8-443939cd371d | mp-650121 | Change the atom at index 10 into Hs in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li12Se6O24
_chemical_formula_sum "Li12 Se6 O24"
_cell_length_a 8.634345
_cell_length_b 9.07239497
_cell_length_c 9.08747216
_cell_angle_alpha 92.87802271
_cell_angle_beta 113.42088352
_cell_angle_gamma 104.85194428
_space_group_nam... | data_image0
_chemical_formula_structural Li10HsLiSe6O24
_chemical_formula_sum "Li11 Hs1 Se6 O24"
_cell_length_a 8.634345
_cell_length_b 9.07239497
_cell_length_c 9.08747216
_cell_angle_alpha 92.87802271
_cell_angle_beta 113.42088352
_cell_angle_gamma 104.85194428
_space_g... |
ChangeAtomAction | 839c839f-a636-4c1b-8135-fa4a109b3bcf | mp-801544 | Change the atom at index 15 into Cu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V2P4H16N4O16
_chemical_formula_sum "V2 P4 H16 N4 O16"
_cell_length_a 5.811218
_cell_length_b 8.425524
_cell_length_c 8.425974
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural V2P4H9CuH6N4O16
_chemical_formula_sum "V2 P4 H15 Cu1 N4 O16"
_cell_length_a 5.811218
_cell_length_b 8.425524
_cell_length_c 8.425974
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
ChangeAtomAction | 2d6b3be5-063c-49fe-acf1-37b91c322526 | mp-1194264 | Change the atom at index 17 into Ho in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sc6Al16Ni7
_chemical_formula_sum "Sc6 Al16 Ni7"
_cell_length_a 8.53691573
_cell_length_b 8.53691573
_cell_length_c 8.53691573
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural Sc6Al11HoAl4Ni7
_chemical_formula_sum "Sc6 Al15 Ho1 Ni7"
_cell_length_a 8.53691573
_cell_length_b 8.53691573
_cell_length_c 8.53691573
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999... |
ChangeAtomAction | ff07ceac-72ce-4c88-80be-184f0f92bd80 | mp-1192051 | Change the atom at index 20 into Db in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd5Ni19
_chemical_formula_sum "Nd5 Ni19"
_cell_length_a 4.97905961
_cell_length_b 4.97906
_cell_length_c 16.36139454
_cell_angle_alpha 81.24794759999999
_cell_angle_beta 81.24794681
_cell_angle_gamma 59.99999743
_space_group_name_H... | data_image0
_chemical_formula_structural Nd5Ni15DbNi3
_chemical_formula_sum "Nd5 Ni18 Db1"
_cell_length_a 4.97905961
_cell_length_b 4.97906
_cell_length_c 16.36139454
_cell_angle_alpha 81.24794759999999
_cell_angle_beta 81.24794681
_cell_angle_gamma 59.99999743
_space_gro... |
ChangeAtomAction | ae913af5-6a1a-418b-af14-a0d941c6bbee | mp-1212483 | Change the atom at index 49 into Fr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Hg16P4H4N4O28
_chemical_formula_sum "Hg16 P4 H4 N4 O28"
_cell_length_a 6.12443421
_cell_length_b 8.318202
_cell_length_c 19.35441814
_cell_angle_alpha 90.0
_cell_angle_beta 91.12338898
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Hg16P4H4N4O21FrO6
_chemical_formula_sum "Hg16 P4 H4 N4 O27 Fr1"
_cell_length_a 6.12443421
_cell_length_b 8.318202
_cell_length_c 19.35441814
_cell_angle_alpha 90.0
_cell_angle_beta 91.12338898
_cell_angle_gamma 90.0
_space_group_na... |
ChangeAtomAction | 11f50048-c290-4375-bfaf-1247b251942e | mp-1193413 | Change the atom at index 14 into Ra in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sc2H6C6O12
_chemical_formula_sum "Sc2 H6 C6 O12"
_cell_length_a 7.24803859
_cell_length_b 7.24803859
_cell_length_c 7.24803788
_cell_angle_alpha 103.80513496000002
_cell_angle_beta 103.80513496000002
_cell_angle_gamma 103.8051398
_... | data_image0
_chemical_formula_structural Sc2H6C6RaO11
_chemical_formula_sum "Sc2 H6 C6 Ra1 O11"
_cell_length_a 7.24803859
_cell_length_b 7.24803859
_cell_length_c 7.24803788
_cell_angle_alpha 103.80513496000002
_cell_angle_beta 103.80513496000002
_cell_angle_gamma 103.8051... |
ChangeAtomAction | a73203dd-2634-41b4-835e-af437d25d208 | mp-1288374 | Change the atom at index 8 into He in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2V6O8
_chemical_formula_sum "Li2 V6 O8"
_cell_length_a 5.29613539
_cell_length_b 6.036295529999999
_cell_length_c 5.30003472
_cell_angle_alpha 89.99997619
_cell_angle_beta 110.55590711999999
_cell_angle_gamma 89.99976383
_space_g... | data_image0
_chemical_formula_structural Li2V6HeO7
_chemical_formula_sum "Li2 V6 He1 O7"
_cell_length_a 5.29613539
_cell_length_b 6.036295529999999
_cell_length_c 5.30003472
_cell_angle_alpha 89.99997619
_cell_angle_beta 110.55590711999999
_cell_angle_gamma 89.99976383
_s... |
ChangeAtomAction | b0a31c27-7641-4e22-8a52-d0900d7bf479 | mp-1188903 | Change the atom at index 13 into Lu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pt2Cl8O10
_chemical_formula_sum "Pt2 Cl8 O10"
_cell_length_a 6.72995708
_cell_length_b 6.72995708
_cell_length_c 11.18924611
_cell_angle_alpha 86.88463148
_cell_angle_beta 86.88463148
_cell_angle_gamma 106.93266609
_space_group_nam... | data_image0
_chemical_formula_structural Pt2Cl8O3LuO6
_chemical_formula_sum "Pt2 Cl8 O9 Lu1"
_cell_length_a 6.72995708
_cell_length_b 6.72995708
_cell_length_c 11.18924611
_cell_angle_alpha 86.88463148
_cell_angle_beta 86.88463148
_cell_angle_gamma 106.93266609
_space_gro... |
ChangeAtomAction | b12d8bae-b018-4957-a715-69571c5398e7 | mp-1078939 | Change the atom at index 0 into S in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn2N2F6
_chemical_formula_sum "Mn2 N2 F6"
_cell_length_a 3.93874
_cell_length_b 5.671741
_cell_length_c 5.717897
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT... | data_image0
_chemical_formula_structural SMnN2F6
_chemical_formula_sum "S1 Mn1 N2 F6"
_cell_length_a 3.93874
_cell_length_b 5.671741
_cell_length_c 5.717897
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... |
ChangeAtomAction | a827a61e-a3e6-4787-9274-75b3951a5cb5 | mp-1220278 | Change the atom at index 4 into Ce in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd4Fe4Co12B3C
_chemical_formula_sum "Nd4 Fe4 Co12 B3 C1"
_cell_length_a 5.11753671
_cell_length_b 5.11753671
_cell_length_c 13.469371
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000916999998
_space_group_na... | data_image0
_chemical_formula_structural Nd4CeFe3Co12B3C
_chemical_formula_sum "Nd4 Ce1 Fe3 Co12 B3 C1"
_cell_length_a 5.11753671
_cell_length_b 5.11753671
_cell_length_c 13.469371
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000916999998
_space_gr... |
ChangeAtomAction | 23ffc9bf-1154-4b93-b658-70194951a348 | mp-759506 | Change the atom at index 15 into Gd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4V2Cr2P8O28
_chemical_formula_sum "Li4 V2 Cr2 P8 O28"
_cell_length_a 9.54961884
_cell_length_b 9.54903466
_cell_length_c 7.01796071
_cell_angle_alpha 99.44046031
_cell_angle_beta 99.45246676999999
_cell_angle_gamma 118.72051267
_... | data_image0
_chemical_formula_structural Li4V2Cr2P7GdO28
_chemical_formula_sum "Li4 V2 Cr2 P7 Gd1 O28"
_cell_length_a 9.54961884
_cell_length_b 9.54903466
_cell_length_c 7.01796071
_cell_angle_alpha 99.44046031
_cell_angle_beta 99.45246676999999
_cell_angle_gamma 118.72051... |
ChangeAtomAction | 2802393d-381a-41ac-8912-f1f77283ff4a | mp-1305999 | Change the atom at index 7 into Cu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3TiNi4O8
_chemical_formula_sum "Li3 Ti1 Ni4 O8"
_cell_length_a 5.89780767
_cell_length_b 5.90359853
_cell_length_c 5.91950147
_cell_angle_alpha 119.91030386999999
_cell_angle_beta 59.75634118
_cell_angle_gamma 90.45492733999998
_... | data_image0
_chemical_formula_structural Li3TiNi3CuO8
_chemical_formula_sum "Li3 Ti1 Ni3 Cu1 O8"
_cell_length_a 5.89780767
_cell_length_b 5.90359853
_cell_length_c 5.91950147
_cell_angle_alpha 119.91030386999999
_cell_angle_beta 59.75634118
_cell_angle_gamma 90.45492733999... |
ChangeAtomAction | 881ee7ff-daa2-4bb9-9e49-459a6ff30c39 | mp-27868 | Change the atom at index 10 into Co in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V2N2Cl8
_chemical_formula_sum "V2 N2 Cl8"
_cell_length_a 5.997518
_cell_length_b 7.67355423
_cell_length_c 8.21960348
_cell_angle_alpha 108.13733024
_cell_angle_beta 93.89048598
_cell_angle_gamma 112.8321924
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural V2N2Cl6CoCl
_chemical_formula_sum "V2 N2 Cl7 Co1"
_cell_length_a 5.997518
_cell_length_b 7.67355423
_cell_length_c 8.21960348
_cell_angle_alpha 108.13733024
_cell_angle_beta 93.89048598
_cell_angle_gamma 112.8321924
_space_group_na... |
ChangeAtomAction | 0f72c550-0b23-40be-9bf5-903f25852280 | mp-1224356 | Change the atom at index 9 into Ta in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ge5Te4Se
_chemical_formula_sum "Ge5 Te4 Se1"
_cell_length_a 15.39442332
_cell_length_b 15.394423320000001
_cell_length_c 15.394423320000001
_cell_angle_alpha 164.30776993999996
_cell_angle_beta 164.30776994
_cell_angle_gamma 22.2626... | data_image0
_chemical_formula_structural Ge5Te4Ta
_chemical_formula_sum "Ge5 Te4 Ta1"
_cell_length_a 15.39442332
_cell_length_b 15.394423320000001
_cell_length_c 15.394423320000001
_cell_angle_alpha 164.30776993999996
_cell_angle_beta 164.30776994
_cell_angle_gamma 22.2626... |
ChangeAtomAction | 26cf1c23-5706-4a60-b5ce-e0ca1be1f1a2 | mp-756136 | Change the atom at index 0 into At in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Pb4I16
_chemical_formula_sum "Ca4 Pb4 I16"
_cell_length_a 7.828612
_cell_length_b 9.521077
_cell_length_c 17.60842554
_cell_angle_alpha 60.66186524
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural AtCa3Pb4I16
_chemical_formula_sum "At1 Ca3 Pb4 I16"
_cell_length_a 7.828612
_cell_length_b 9.521077
_cell_length_c 17.60842554
_cell_angle_alpha 60.66186524
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | b541f653-0c41-47d7-b89f-c2d87a7c431f | mp-849219 | Change the atom at index 2 into Lv in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V6O8F4
_chemical_formula_sum "V6 O8 F4"
_cell_length_a 10.46643444
_cell_length_b 10.466434439999999
_cell_length_c 3.065376
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 143.4460713
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural V2LvV3O8F4
_chemical_formula_sum "V5 Lv1 O8 F4"
_cell_length_a 10.46643444
_cell_length_b 10.466434439999999
_cell_length_c 3.065376
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 143.4460713
_space_group_name_H-M_a... |
ChangeAtomAction | 5b6e2a3a-5ac7-4d06-8c92-851b32c30c18 | mp-7492 | Change the atom at index 7 into Fl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La2B2O6
_chemical_formula_sum "La2 B2 O6"
_cell_length_a 4.17942406
_cell_length_b 5.08865142
_cell_length_c 6.314355319999999
_cell_angle_alpha 90.0
_cell_angle_beta 107.68584388
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La2B2O3FlO2
_chemical_formula_sum "La2 B2 O5 Fl1"
_cell_length_a 4.17942406
_cell_length_b 5.08865142
_cell_length_c 6.314355319999999
_cell_angle_alpha 90.0
_cell_angle_beta 107.68584388
_cell_angle_gamma 90.0
_space_group_name_H-... |
ChangeAtomAction | 3beda61e-78ca-49b8-8502-a5c084237bbd | mp-1233403 | Change the atom at index 15 into Nd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2MgNb6N2O14
_chemical_formula_sum "Ba2 Mg1 Nb6 N2 O14"
_cell_length_a 9.27368937
_cell_length_b 10.90484996
_cell_length_c 3.96856148
_cell_angle_alpha 79.41574678
_cell_angle_beta 90.01147866
_cell_angle_gamma 89.15679119999999
... | data_image0
_chemical_formula_structural Ba2MgNb6N2O4NdO9
_chemical_formula_sum "Ba2 Mg1 Nb6 N2 O13 Nd1"
_cell_length_a 9.27368937
_cell_length_b 10.90484996
_cell_length_c 3.96856148
_cell_angle_alpha 79.41574678
_cell_angle_beta 90.01147866
_cell_angle_gamma 89.156791199... |
ChangeAtomAction | acfb51da-ba81-4865-82a4-0c0c4bb9c256 | mp-1223484 | Change the atom at index 34 into Cs in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2V6Pb8O24
_chemical_formula_sum "K2 V6 Pb8 O24"
_cell_length_a 10.34517358
_cell_length_b 10.34517358
_cell_length_c 7.540297
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999727999999
_space_group_name_H-M_... | data_image0
_chemical_formula_structural K2V6Pb8O18CsO5
_chemical_formula_sum "K2 V6 Pb8 O23 Cs1"
_cell_length_a 10.34517358
_cell_length_b 10.34517358
_cell_length_c 7.540297
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999727999999
_space_group_n... |
ChangeAtomAction | c77fb941-3bd3-4c2d-ad65-3ab207c7c83b | mp-2452 | Change the atom at index 5 into Se in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural P4O10
_chemical_formula_sum "P4 O10"
_cell_length_a 4.83501677
_cell_length_b 4.83501534
_cell_length_c 8.56186796
_cell_angle_alpha 99.5390988
_cell_angle_beta 99.53909892000001
_cell_angle_gamma 114.39856376
_space_group_name_H-M... | data_image0
_chemical_formula_structural P4OSeO8
_chemical_formula_sum "P4 O9 Se1"
_cell_length_a 4.83501677
_cell_length_b 4.83501534
_cell_length_c 8.56186796
_cell_angle_alpha 99.5390988
_cell_angle_beta 99.53909892000001
_cell_angle_gamma 114.39856376
_space_group_nam... |
ChangeAtomAction | ebb710c3-0b9b-4fcb-853f-89d7b2ccae3d | mp-29817 | Change the atom at index 30 into Si in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ga8P16I72
_chemical_formula_sum "Ga8 P16 I72"
_cell_length_a 11.478636
_cell_length_b 18.887677
_cell_length_c 21.713497
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Ga8P16I6SiI65
_chemical_formula_sum "Ga8 P16 I71 Si1"
_cell_length_a 11.478636
_cell_length_b 18.887677
_cell_length_c 21.713497
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
ChangeAtomAction | 8e64149b-2593-49cf-b565-60c8fccb9931 | mp-777466 | Change the atom at index 52 into Tb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li16Fe8F32
_chemical_formula_sum "Li16 Fe8 F32"
_cell_length_a 9.65245569
_cell_length_b 9.65245569
_cell_length_c 9.65245569
_cell_angle_alpha 100.8440097
_cell_angle_beta 100.8440097
_cell_angle_gamma 128.58892083
_space_group_na... | data_image0
_chemical_formula_structural Li16Fe8F28TbF3
_chemical_formula_sum "Li16 Fe8 F31 Tb1"
_cell_length_a 9.65245569
_cell_length_b 9.65245569
_cell_length_c 9.65245569
_cell_angle_alpha 100.8440097
_cell_angle_beta 100.8440097
_cell_angle_gamma 128.58892083
_space_... |
ChangeAtomAction | 7b653d82-a266-4d35-871e-67bcf4e39ed4 | mp-770799 | Change the atom at index 8 into As in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li10Nb2O10
_chemical_formula_sum "Li10 Nb2 O10"
_cell_length_a 5.5080777
_cell_length_b 5.5080777
_cell_length_c 9.09201674
_cell_angle_alpha 82.46835197999998
_cell_angle_beta 82.46835197999998
_cell_angle_gamma 117.03627155
_spac... | data_image0
_chemical_formula_structural Li8AsLiNb2O10
_chemical_formula_sum "Li9 As1 Nb2 O10"
_cell_length_a 5.5080777
_cell_length_b 5.5080777
_cell_length_c 9.09201674
_cell_angle_alpha 82.46835197999998
_cell_angle_beta 82.46835197999998
_cell_angle_gamma 117.03627155
... |
ChangeAtomAction | f08e478f-036c-43ca-aed0-9e3469159e13 | mp-1218785 | Change the atom at index 43 into Fm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr8Ca3NdTl2Cu8Pb2O28
_chemical_formula_sum "Sr8 Ca3 Nd1 Tl2 Cu8 Pb2 O28"
_cell_length_a 13.3986122
_cell_length_b 13.39814014
_cell_length_c 7.618955399999999
_cell_angle_alpha 73.48496824000001
_cell_angle_beta 73.47816135
_cell_angle... | data_image0
_chemical_formula_structural Sr8Ca3NdTl2Cu8Pb2O19FmO8
_chemical_formula_sum "Sr8 Ca3 Nd1 Tl2 Cu8 Pb2 O27 Fm1"
_cell_length_a 13.3986122
_cell_length_b 13.39814014
_cell_length_c 7.618955399999999
_cell_angle_alpha 73.48496824000001
_cell_angle_beta 73.47816135
_ce... |
ChangeAtomAction | 642de4ea-444e-457b-8147-ee68f4d7276f | mp-1110792 | Change the atom at index 9 into Mt in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na3InCl6
_chemical_formula_sum "Na3 In1 Cl6"
_cell_length_a 7.37474189
_cell_length_b 7.37474189
_cell_length_c 7.374741889999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural Na3InCl5Mt
_chemical_formula_sum "Na3 In1 Cl5 Mt1"
_cell_length_a 7.37474189
_cell_length_b 7.37474189
_cell_length_c 7.374741889999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99... |
ChangeAtomAction | d0d96759-d405-4408-addd-abd90901e43a | mp-1221912 | Change the atom at index 9 into Th in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn2CrGa3S8
_chemical_formula_sum "Mn2 Cr1 Ga3 S8"
_cell_length_a 12.591627
_cell_length_b 12.591627
_cell_length_c 6.476595429999999
_cell_angle_alpha 85.14436659
_cell_angle_beta 85.14436659
_cell_angle_gamma 16.866044550000005
_s... | data_image0
_chemical_formula_structural Mn2CrGa3S3ThS4
_chemical_formula_sum "Mn2 Cr1 Ga3 S7 Th1"
_cell_length_a 12.591627
_cell_length_b 12.591627
_cell_length_c 6.476595429999999
_cell_angle_alpha 85.14436659
_cell_angle_beta 85.14436659
_cell_angle_gamma 16.86604455000... |
ChangeAtomAction | 5f30a2ec-c739-470b-88ec-345d71c245b7 | mp-2884 | Change the atom at index 4 into Am in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs4Mn6S8
_chemical_formula_sum "Cs4 Mn6 S8"
_cell_length_a 6.08330977
_cell_length_b 9.652656439999998
_cell_length_c 9.65265607
_cell_angle_alpha 73.9593348
_cell_angle_beta 71.63250836
_cell_angle_gamma 71.63250777
_space_group_n... | data_image0
_chemical_formula_structural Cs4AmMn5S8
_chemical_formula_sum "Cs4 Am1 Mn5 S8"
_cell_length_a 6.08330977
_cell_length_b 9.652656439999998
_cell_length_c 9.65265607
_cell_angle_alpha 73.9593348
_cell_angle_beta 71.63250836
_cell_angle_gamma 71.63250777
_space_g... |
ChangeAtomAction | 3e8b94f4-f0ba-4ce2-9eee-7d47d3227f7b | mp-558545 | Change the atom at index 21 into Y in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural C8S4N12Cl12
_chemical_formula_sum "C8 S4 N12 Cl12"
_cell_length_a 7.765921
_cell_length_b 8.326056
_cell_length_c 12.57591833
_cell_angle_alpha 84.22908205
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural C8S4N9YN2Cl12
_chemical_formula_sum "C8 S4 N11 Y1 Cl12"
_cell_length_a 7.765921
_cell_length_b 8.326056
_cell_length_c 12.57591833
_cell_angle_alpha 84.22908205
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
ChangeAtomAction | d7bf1256-c9e8-42df-85d6-5e9324a26115 | mp-705680 | Change the atom at index 1 into As in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La4Mo4O18
_chemical_formula_sum "La4 Mo4 O18"
_cell_length_a 7.270955
_cell_length_b 7.289629140000001
_cell_length_c 7.34939515
_cell_angle_alpha 89.47068859
_cell_angle_beta 88.35481316000002
_cell_angle_gamma 87.76302988999998
_... | data_image0
_chemical_formula_structural LaAsLa2Mo4O18
_chemical_formula_sum "La3 As1 Mo4 O18"
_cell_length_a 7.270955
_cell_length_b 7.289629140000001
_cell_length_c 7.34939515
_cell_angle_alpha 89.47068859
_cell_angle_beta 88.35481316000002
_cell_angle_gamma 87.763029889... |
ChangeAtomAction | 4445abf9-7234-4013-8179-d71942f89a20 | mp-25284 | Change the atom at index 9 into Ar in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Mn4Ni2O12
_chemical_formula_sum "Li2 Mn4 Ni2 O12"
_cell_length_a 5.04900018
_cell_length_b 5.04906524
_cell_length_c 10.42357366
_cell_angle_alpha 86.33280131
_cell_angle_beta 93.66216847
_cell_angle_gamma 120.76071514
_space_gr... | data_image0
_chemical_formula_structural Li2Mn4Ni2OArO10
_chemical_formula_sum "Li2 Mn4 Ni2 O11 Ar1"
_cell_length_a 5.04900018
_cell_length_b 5.04906524
_cell_length_c 10.42357366
_cell_angle_alpha 86.33280131
_cell_angle_beta 93.66216847
_cell_angle_gamma 120.76071514
_s... |
ChangeAtomAction | 930b5ea5-0eb1-42a4-a999-6a67361a9145 | mp-643263 | Change the atom at index 7 into Rn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na3VH6O7
_chemical_formula_sum "Na3 V1 H6 O7"
_cell_length_a 5.58858274
_cell_length_b 5.58858274
_cell_length_c 5.588582330000001
_cell_angle_alpha 100.00373742
_cell_angle_beta 100.00373742
_cell_angle_gamma 100.00374030000002
_s... | data_image0
_chemical_formula_structural Na3VH3RnH2O7
_chemical_formula_sum "Na3 V1 H5 Rn1 O7"
_cell_length_a 5.58858274
_cell_length_b 5.58858274
_cell_length_c 5.588582330000001
_cell_angle_alpha 100.00373742
_cell_angle_beta 100.00373742
_cell_angle_gamma 100.0037403000... |
ChangeAtomAction | 0cd16d5d-a708-4cd9-b58f-604b4503ce5e | mp-697170 | Change the atom at index 35 into Th in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg4H24Br8N8
_chemical_formula_sum "Mg4 H24 Br8 N8"
_cell_length_a 6.012089
_cell_length_b 8.046786
_cell_length_c 12.006075
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Mg4H24Br7ThN8
_chemical_formula_sum "Mg4 H24 Br7 Th1 N8"
_cell_length_a 6.012089
_cell_length_b 8.046786
_cell_length_c 12.006075
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
ChangeAtomAction | a47e266f-06f7-4058-931b-53257283caf5 | mp-1193845 | Change the atom at index 13 into Ba in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ho6Al7Cu16
_chemical_formula_sum "Ho6 Al7 Cu16"
_cell_length_a 8.70515623
_cell_length_b 8.70515623
_cell_length_c 8.70515623
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural Ho6Al7BaCu15
_chemical_formula_sum "Ho6 Al7 Ba1 Cu15"
_cell_length_a 8.70515623
_cell_length_b 8.70515623
_cell_length_c 8.70515623
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
ChangeAtomAction | 9cbf4c49-f4fb-4a89-9d3c-599121687b6d | mp-1106174 | Change the atom at index 6 into Au in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tb14Rh6
_chemical_formula_sum "Tb14 Rh6"
_cell_length_a 6.19766051
_cell_length_b 9.79902498
_cell_length_c 9.798996650000001
_cell_angle_alpha 120.00022491999995
_cell_angle_beta 90.00107083000002
_cell_angle_gamma 90.00095888
_sp... | data_image0
_chemical_formula_structural Tb6AuTb7Rh6
_chemical_formula_sum "Tb13 Au1 Rh6"
_cell_length_a 6.19766051
_cell_length_b 9.79902498
_cell_length_c 9.798996650000001
_cell_angle_alpha 120.00022491999995
_cell_angle_beta 90.00107083000002
_cell_angle_gamma 90.00095... |
ChangeAtomAction | 0490e1a7-d46c-4458-b96e-d627cb44daa1 | mp-16431 | Change the atom at index 1 into S in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural NdFe4P12
_chemical_formula_sum "Nd1 Fe4 P12"
_cell_length_a 6.73505209
_cell_length_b 6.73505184
_cell_length_c 6.73505201
_cell_angle_alpha 109.47122118
_cell_angle_beta 109.47122044
_cell_angle_gamma 109.47122162
_space_group_nam... | data_image0
_chemical_formula_structural NdSFe3P12
_chemical_formula_sum "Nd1 S1 Fe3 P12"
_cell_length_a 6.73505209
_cell_length_b 6.73505184
_cell_length_c 6.73505201
_cell_angle_alpha 109.47122118
_cell_angle_beta 109.47122044
_cell_angle_gamma 109.47122162
_space_group... |
ChangeAtomAction | 2c84a340-62cd-49e3-a59e-754d450a5111 | mp-1236250 | Change the atom at index 8 into Eu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural LiCo5SbO8
_chemical_formula_sum "Li1 Co5 Sb1 O8"
_cell_length_a 6.32081318
_cell_length_b 5.95944951
_cell_length_c 5.958533000000001
_cell_angle_alpha 60.00407588000001
_cell_angle_beta 61.87965133
_cell_angle_gamma 61.95931534
_s... | data_image0
_chemical_formula_structural LiCo5SbOEuO6
_chemical_formula_sum "Li1 Co5 Sb1 O7 Eu1"
_cell_length_a 6.32081318
_cell_length_b 5.95944951
_cell_length_c 5.958533000000001
_cell_angle_alpha 60.00407588000001
_cell_angle_beta 61.87965133
_cell_angle_gamma 61.95931... |
ChangeAtomAction | d356487a-aabd-467d-9398-4681b7639c9f | mp-675818 | Change the atom at index 8 into Sb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li11TiAs5
_chemical_formula_sum "Li11 Ti1 As5"
_cell_length_a 7.42247606
_cell_length_b 7.42247606
_cell_length_c 10.601601099999998
_cell_angle_alpha 63.42659419999999
_cell_angle_beta 63.42659419999999
_cell_angle_gamma 33.2593039... | data_image0
_chemical_formula_structural Li8SbLi2TiAs5
_chemical_formula_sum "Li10 Sb1 Ti1 As5"
_cell_length_a 7.42247606
_cell_length_b 7.42247606
_cell_length_c 10.601601099999998
_cell_angle_alpha 63.42659419999999
_cell_angle_beta 63.42659419999999
_cell_angle_gamma 33... |
ChangeAtomAction | 9a36a0eb-a391-4e2e-8a1a-91816e12521f | mp-1043721 | Change the atom at index 22 into Ir in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg4Sn4Bi4O20
_chemical_formula_sum "Mg4 Sn4 Bi4 O20"
_cell_length_a 11.054845
_cell_length_b 5.442748
_cell_length_c 8.7199251
_cell_angle_alpha 68.83335382
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg4Sn4Bi4O10IrO9
_chemical_formula_sum "Mg4 Sn4 Bi4 O19 Ir1"
_cell_length_a 11.054845
_cell_length_b 5.442748
_cell_length_c 8.7199251
_cell_angle_alpha 68.83335382
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
ChangeAtomAction | 4be64a72-d59f-4137-a059-a5223f0f6520 | mp-1180529 | Change the atom at index 31 into Pt in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mn4P4O20
_chemical_formula_sum "Li4 Mn4 P4 O20"
_cell_length_a 5.17989019
_cell_length_b 6.93803572
_cell_length_c 10.275966780000001
_cell_angle_alpha 76.82840957
_cell_angle_beta 98.12029334000002
_cell_angle_gamma 72.52584848
... | data_image0
_chemical_formula_structural Li4Mn4P4O19Pt
_chemical_formula_sum "Li4 Mn4 P4 O19 Pt1"
_cell_length_a 5.17989019
_cell_length_b 6.93803572
_cell_length_c 10.275966780000001
_cell_angle_alpha 76.82840957
_cell_angle_beta 98.12029334000002
_cell_angle_gamma 72.525... |
ChangeAtomAction | a9231c1a-f8c8-40b7-8072-ae508d64fe29 | mp-1226424 | Change the atom at index 41 into Lr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs6Er10P12S48
_chemical_formula_sum "Cs6 Er10 P12 S48"
_cell_length_a 10.39362307
_cell_length_b 10.39362307
_cell_length_c 20.86577793
_cell_angle_alpha 79.67882168
_cell_angle_beta 79.67882168
_cell_angle_gamma 77.98851011
_space... | data_image0
_chemical_formula_structural Cs6Er10P12S13LrS34
_chemical_formula_sum "Cs6 Er10 P12 S47 Lr1"
_cell_length_a 10.39362307
_cell_length_b 10.39362307
_cell_length_c 20.86577793
_cell_angle_alpha 79.67882168
_cell_angle_beta 79.67882168
_cell_angle_gamma 77.9885101... |
ChangeAtomAction | 2d07b153-c682-454e-82b1-31a482aa3d5c | mp-766117 | Change the atom at index 7 into K in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sn16N16O8
_chemical_formula_sum "Sn16 N16 O8"
_cell_length_a 8.851814
_cell_length_b 8.8536901
_cell_length_c 8.85845561
_cell_angle_alpha 109.55405563999999
_cell_angle_beta 109.51343367000001
_cell_angle_gamma 109.21073575
_space... | data_image0
_chemical_formula_structural Sn7KSn8N16O8
_chemical_formula_sum "Sn15 K1 N16 O8"
_cell_length_a 8.851814
_cell_length_b 8.8536901
_cell_length_c 8.85845561
_cell_angle_alpha 109.55405563999999
_cell_angle_beta 109.51343367000001
_cell_angle_gamma 109.21073575
... |
ChangeAtomAction | baa1409d-e0c4-49ae-ad1e-cf020c48c833 | mp-1189274 | Change the atom at index 2 into Sm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Er12Ru4
_chemical_formula_sum "Er12 Ru4"
_cell_length_a 6.236655
_cell_length_b 7.272444
_cell_length_c 9.101117
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT... | data_image0
_chemical_formula_structural Er2SmEr9Ru4
_chemical_formula_sum "Er11 Sm1 Ru4"
_cell_length_a 6.236655
_cell_length_b 7.272444
_cell_length_c 9.101117
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
ChangeAtomAction | 72455a23-69ee-4d8a-91b1-c672f90cec7c | mp-29957 | Change the atom at index 16 into Lv in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zr15Te18
_chemical_formula_sum "Zr15 Te18"
_cell_length_a 11.82219029
_cell_length_b 11.822189119999999
_cell_length_c 7.14790746
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999442
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Zr15TeLvTe16
_chemical_formula_sum "Zr15 Te17 Lv1"
_cell_length_a 11.82219029
_cell_length_b 11.822189119999999
_cell_length_c 7.14790746
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999442
_space_group_name... |
ChangeAtomAction | ce3745d3-1df1-4cf3-a36c-2ef9c04a282a | mp-1102040 | Change the atom at index 9 into As in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Sn4Pt4
_chemical_formula_sum "Ca4 Sn4 Pt4"
_cell_length_a 4.62387607
_cell_length_b 7.37953147
_cell_length_c 7.90536517
_cell_angle_alpha 90.00431855
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ca4Sn4PtAsPt2
_chemical_formula_sum "Ca4 Sn4 Pt3 As1"
_cell_length_a 4.62387607
_cell_length_b 7.37953147
_cell_length_c 7.90536517
_cell_angle_alpha 90.00431855
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
ChangeAtomAction | 3711f8a8-c1af-4f4f-a379-7f87c0c98beb | mp-1220018 | Change the atom at index 0 into Ni in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pr2Mn17C2
_chemical_formula_sum "Pr2 Mn17 C2"
_cell_length_a 6.50467078
_cell_length_b 6.504670779999999
_cell_length_c 6.48206035
_cell_angle_alpha 83.62653849000002
_cell_angle_beta 83.62653849000002
_cell_angle_gamma 84.31488702
... | data_image0
_chemical_formula_structural NiPrMn17C2
_chemical_formula_sum "Ni1 Pr1 Mn17 C2"
_cell_length_a 6.50467078
_cell_length_b 6.504670779999999
_cell_length_c 6.48206035
_cell_angle_alpha 83.62653849000002
_cell_angle_beta 83.62653849000002
_cell_angle_gamma 84.3148... |
ChangeAtomAction | 484f6205-d7ce-4fbc-9178-b1825dc7211c | mp-1228744 | Change the atom at index 22 into Pd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba6V8P12O48
_chemical_formula_sum "Ba6 V8 P12 O48"
_cell_length_a 10.082441
_cell_length_b 10.050738
_cell_length_c 10.07723152
_cell_angle_alpha 89.82967992
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba6V8P8PdP3O48
_chemical_formula_sum "Ba6 V8 P11 Pd1 O48"
_cell_length_a 10.082441
_cell_length_b 10.050738
_cell_length_c 10.07723152
_cell_angle_alpha 89.82967992
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
ChangeAtomAction | 68393591-f394-46e5-b682-fdc9a5fa6455 | mp-760194 | Change the atom at index 6 into Bk in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8V8F48
_chemical_formula_sum "Li8 V8 F48"
_cell_length_a 9.38823
_cell_length_b 9.211635
_cell_length_c 15.62011393
_cell_angle_alpha 54.25570067999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li6BkLiV8F48
_chemical_formula_sum "Li7 Bk1 V8 F48"
_cell_length_a 9.38823
_cell_length_b 9.211635
_cell_length_c 15.62011393
_cell_angle_alpha 54.25570067999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
ChangeAtomAction | 3677dfff-4b74-4c4d-9506-a3f846b050c0 | mp-1181679 | Change the atom at index 6 into Ds in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ga8Si8C32N8
_chemical_formula_sum "Ga8 Si8 C32 N8"
_cell_length_a 10.01110904
_cell_length_b 10.01110904
_cell_length_c 16.697649989999995
_cell_angle_alpha 71.56542631999999
_cell_angle_beta 71.56542631999999
_cell_angle_gamma 58.4... | data_image0
_chemical_formula_structural Ga6DsGaSi8C32N8
_chemical_formula_sum "Ga7 Ds1 Si8 C32 N8"
_cell_length_a 10.01110904
_cell_length_b 10.01110904
_cell_length_c 16.697649989999995
_cell_angle_alpha 71.56542631999999
_cell_angle_beta 71.56542631999999
_cell_angle_gamma... |
ChangeAtomAction | 4128c156-ad8d-4e09-a9e8-a6078ef8747f | mp-1101024 | Change the atom at index 14 into Hg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti4Zn8O16
_chemical_formula_sum "Ti4 Zn8 O16"
_cell_length_a 6.074403
_cell_length_b 6.074403
_cell_length_c 12.834414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Ti4Zn8O2HgO13
_chemical_formula_sum "Ti4 Zn8 O15 Hg1"
_cell_length_a 6.074403
_cell_length_b 6.074403
_cell_length_c 12.834414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
ChangeAtomAction | d84b56a4-56a2-464c-8d37-e66de826eefd | mp-1518110 | Change the atom at index 1 into At in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural SrEuYCoO6
_chemical_formula_sum "Sr1 Eu1 Y1 Co1 O6"
_cell_length_a 5.70085714
_cell_length_b 5.70085714
_cell_length_c 5.700857139999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99... | data_image0
_chemical_formula_structural SrAtYCoO6
_chemical_formula_sum "Sr1 At1 Y1 Co1 O6"
_cell_length_a 5.70085714
_cell_length_b 5.70085714
_cell_length_c 5.700857139999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99... |
ChangeAtomAction | 74e95d56-0d53-47a1-8a5f-e17da26de823 | mp-770874 | Change the atom at index 24 into Pu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na12Co4P2C8O32
_chemical_formula_sum "Na12 Co4 P2 C8 O32"
_cell_length_a 9.86786888
_cell_length_b 9.86786888
_cell_length_c 9.86786888
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Na12Co4P2C6PuCO32
_chemical_formula_sum "Na12 Co4 P2 C7 Pu1 O32"
_cell_length_a 9.86786888
_cell_length_b 9.86786888
_cell_length_c 9.86786888
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma ... |
ChangeAtomAction | 2d53dda5-d606-4964-b148-45732db634fa | mp-29082 | Change the atom at index 1 into Y in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba10Cr2N10
_chemical_formula_sum "Ba10 Cr2 N10"
_cell_length_a 7.94728499
_cell_length_b 7.947287020000001
_cell_length_c 9.48464346
_cell_angle_alpha 76.21473882
_cell_angle_beta 76.21477560000001
_cell_angle_gamma 96.0779043599999... | data_image0
_chemical_formula_structural BaYBa8Cr2N10
_chemical_formula_sum "Ba9 Y1 Cr2 N10"
_cell_length_a 7.94728499
_cell_length_b 7.947287020000001
_cell_length_c 9.48464346
_cell_angle_alpha 76.21473882
_cell_angle_beta 76.21477560000001
_cell_angle_gamma 96.077904359... |
ChangeAtomAction | 55910c6c-0801-4386-b6be-313ccf7f912e | mp-1212423 | Change the atom at index 11 into Br in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ho12In3Fe2
_chemical_formula_sum "Ho12 In3 Fe2"
_cell_length_a 8.42112116
_cell_length_b 8.42112179
_cell_length_c 8.42111934
_cell_angle_alpha 110.11209296
_cell_angle_beta 110.11212551
_cell_angle_gamma 108.19690694
_space_group_... | data_image0
_chemical_formula_structural Ho11BrIn3Fe2
_chemical_formula_sum "Ho11 Br1 In3 Fe2"
_cell_length_a 8.42112116
_cell_length_b 8.42112179
_cell_length_c 8.42111934
_cell_angle_alpha 110.11209296
_cell_angle_beta 110.11212551
_cell_angle_gamma 108.19690694
_space_... |
ChangeAtomAction | f885d40c-cc0c-4621-87ba-b761199d33e2 | mp-1201334 | Change the atom at index 30 into Lv in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural NiH20PdC4N4O12
_chemical_formula_sum "Ni1 H20 Pd1 C4 N4 O12"
_cell_length_a 7.190677
_cell_length_b 7.451019
_cell_length_c 9.12756315
_cell_angle_alpha 65.91067253
_cell_angle_beta 66.80266797
_cell_angle_gamma 90.0
_space_group_n... | data_image0
_chemical_formula_structural NiH20PdC4N4LvO11
_chemical_formula_sum "Ni1 H20 Pd1 C4 N4 Lv1 O11"
_cell_length_a 7.190677
_cell_length_b 7.451019
_cell_length_c 9.12756315
_cell_angle_alpha 65.91067253
_cell_angle_beta 66.80266797
_cell_angle_gamma 90.0
_space_g... |
ChangeAtomAction | 088c15eb-c9b2-4294-94cd-c539be8273c7 | mp-698325 | Change the atom at index 19 into Rg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba4H16C12O24
_chemical_formula_sum "Ba4 H16 C12 O24"
_cell_length_a 10.71447654
_cell_length_b 10.71447654
_cell_length_c 10.71447654
_cell_angle_alpha 96.37232983999999
_cell_angle_beta 96.37232983999999
_cell_angle_gamma 141.07982... | data_image0
_chemical_formula_structural Ba4H15RgC12O24
_chemical_formula_sum "Ba4 H15 Rg1 C12 O24"
_cell_length_a 10.71447654
_cell_length_b 10.71447654
_cell_length_c 10.71447654
_cell_angle_alpha 96.37232983999999
_cell_angle_beta 96.37232983999999
_cell_angle_gamma 141... |
ChangeAtomAction | 8301727f-e3f1-460c-a398-59982f632d26 | mp-1031354 | Change the atom at index 10 into B in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg6TiCO8
_chemical_formula_sum "Mg6 Ti1 C1 O8"
_cell_length_a 9.12217365
_cell_length_b 4.17574505
_cell_length_c 4.17574505
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Mg6TiCO2BO5
_chemical_formula_sum "Mg6 Ti1 C1 O7 B1"
_cell_length_a 9.12217365
_cell_length_b 4.17574505
_cell_length_c 4.17574505
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
ChangeAtomAction | cf113ed0-07d1-4d82-a810-8c7d424d58a4 | mp-532718 | Change the atom at index 11 into Fl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca6Nd6Mn12O36
_chemical_formula_sum "Ca6 Nd6 Mn12 O36"
_cell_length_a 16.297216
_cell_length_b 5.473793
_cell_length_c 7.702508
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ca6Nd5FlMn12O36
_chemical_formula_sum "Ca6 Nd5 Fl1 Mn12 O36"
_cell_length_a 16.297216
_cell_length_b 5.473793
_cell_length_c 7.702508
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | a653ff76-1e3f-4efe-be2e-a3e41d702ca1 | mp-1212504 | Change the atom at index 2 into Es in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd8P12H20W4O36
_chemical_formula_sum "Nd8 P12 H20 W4 O36"
_cell_length_a 8.81237
_cell_length_b 9.859124
_cell_length_c 13.547116570000002
_cell_angle_alpha 64.29207759
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Nd2EsNd5P12H20W4O36
_chemical_formula_sum "Nd7 Es1 P12 H20 W4 O36"
_cell_length_a 8.81237
_cell_length_b 9.859124
_cell_length_c 13.547116570000002
_cell_angle_alpha 64.29207759
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... |
ChangeAtomAction | 4574a672-d023-4f15-8980-b0a91f26d088 | mp-1194285 | Change the atom at index 0 into Nh in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Lu4Mo4Br4O16
_chemical_formula_sum "Lu4 Mo4 Br4 O16"
_cell_length_a 6.937912
_cell_length_b 7.20254013
_cell_length_c 10.77698893
_cell_angle_alpha 102.83320016000002
_cell_angle_beta 107.80925864
_cell_angle_gamma 95.42992557
_spa... | data_image0
_chemical_formula_structural NhLu3Mo4Br4O16
_chemical_formula_sum "Nh1 Lu3 Mo4 Br4 O16"
_cell_length_a 6.937912
_cell_length_b 7.20254013
_cell_length_c 10.77698893
_cell_angle_alpha 102.83320016000002
_cell_angle_beta 107.80925864
_cell_angle_gamma 95.42992557... |
ChangeAtomAction | dcfc4ebb-d119-4639-b6cd-b3c5d9e5e010 | mp-980108 | Change the atom at index 17 into Ba in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm4Mg2Ir2O12
_chemical_formula_sum "Sm4 Mg2 Ir2 O12"
_cell_length_a 5.760194
_cell_length_b 5.428014
_cell_length_c 9.48535488
_cell_angle_alpha 55.3260366
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Sm4Mg2Ir2O9BaO2
_chemical_formula_sum "Sm4 Mg2 Ir2 O11 Ba1"
_cell_length_a 5.760194
_cell_length_b 5.428014
_cell_length_c 9.48535488
_cell_angle_alpha 55.3260366
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
ChangeAtomAction | 69fd5146-4025-4ea9-b07c-7c1416fbe93b | mp-1046973 | Change the atom at index 6 into Ni in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nb4Zn4Ni2O16
_chemical_formula_sum "Nb4 Zn4 Ni2 O16"
_cell_length_a 10.09959759
_cell_length_b 10.09959759
_cell_length_c 5.258447
_cell_angle_alpha 89.67078171
_cell_angle_beta 89.67078171
_cell_angle_gamma 34.15230613
_space_grou... | data_image0
_chemical_formula_structural Nb4Zn2NiZnNi2O16
_chemical_formula_sum "Nb4 Zn3 Ni3 O16"
_cell_length_a 10.09959759
_cell_length_b 10.09959759
_cell_length_c 5.258447
_cell_angle_alpha 89.67078171
_cell_angle_beta 89.67078171
_cell_angle_gamma 34.15230613
_space_... |
ChangeAtomAction | 1addfa1a-6973-44d1-9755-102c6d2405c4 | mp-761271 | Change the atom at index 29 into Ho in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8V4O4F16
_chemical_formula_sum "Li8 V4 O4 F16"
_cell_length_a 5.048083
_cell_length_b 7.22002559
_cell_length_c 10.34605698
_cell_angle_alpha 108.97466729
_cell_angle_beta 89.78271863999998
_cell_angle_gamma 91.13500279
_space_gr... | data_image0
_chemical_formula_structural Li8V4O4F13HoF2
_chemical_formula_sum "Li8 V4 O4 F15 Ho1"
_cell_length_a 5.048083
_cell_length_b 7.22002559
_cell_length_c 10.34605698
_cell_angle_alpha 108.97466729
_cell_angle_beta 89.78271863999998
_cell_angle_gamma 91.13500279
_... |
ChangeAtomAction | ff53b75a-3a21-4c39-8d7b-c4761ec49698 | mp-1219571 | Change the atom at index 10 into Mg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb2Mg2Cr2F12
_chemical_formula_sum "Rb2 Mg2 Cr2 F12"
_cell_length_a 7.34984894
_cell_length_b 7.34984894
_cell_length_c 7.34984894
_cell_angle_alpha 120.32613441
_cell_angle_beta 120.01187209
_cell_angle_gamma 89.70774276
_space_gr... | data_image0
_chemical_formula_structural Rb2Mg2Cr2F4MgF7
_chemical_formula_sum "Rb2 Mg3 Cr2 F11"
_cell_length_a 7.34984894
_cell_length_b 7.34984894
_cell_length_c 7.34984894
_cell_angle_alpha 120.32613441
_cell_angle_beta 120.01187209
_cell_angle_gamma 89.70774276
_space... |
ChangeAtomAction | 66f7413b-2d09-4643-9e1c-de6909749775 | mp-685281 | Change the atom at index 6 into Nh in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural TiZnH12O6F6
_chemical_formula_sum "Ti1 Zn1 H12 O6 F6"
_cell_length_a 6.52220492
_cell_length_b 6.52220492
_cell_length_c 6.522205700000001
_cell_angle_alpha 95.56394999
_cell_angle_beta 95.56394999
_cell_angle_gamma 95.56395338
_sp... | data_image0
_chemical_formula_structural TiZnH4NhH7O6F6
_chemical_formula_sum "Ti1 Zn1 H11 Nh1 O6 F6"
_cell_length_a 6.52220492
_cell_length_b 6.52220492
_cell_length_c 6.522205700000001
_cell_angle_alpha 95.56394999
_cell_angle_beta 95.56394999
_cell_angle_gamma 95.563953... |
ChangeAtomAction | 7e9e0a3b-de87-4094-b67c-84506fe37f39 | mp-759040 | Change the atom at index 20 into C in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Mn4P10O30
_chemical_formula_sum "Li2 Mn4 P10 O30"
_cell_length_a 13.185954
_cell_length_b 5.174124
_cell_length_c 8.74285195
_cell_angle_alpha 76.53825297
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li2Mn4P10O4CO25
_chemical_formula_sum "Li2 Mn4 P10 O29 C1"
_cell_length_a 13.185954
_cell_length_b 5.174124
_cell_length_c 8.74285195
_cell_angle_alpha 76.53825297
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
ChangeAtomAction | 475fff50-822c-4271-b6a9-f4f2ff8f9ac4 | mp-510056 | Change the atom at index 8 into Mn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CaV4Cu3O12
_chemical_formula_sum "Ca1 V4 Cu3 O12"
_cell_length_a 6.41600809
_cell_length_b 6.41600809
_cell_length_c 6.41600809
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_grou... | data_image0
_chemical_formula_structural CaV4Cu3MnO11
_chemical_formula_sum "Ca1 V4 Cu3 Mn1 O11"
_cell_length_a 6.41600809
_cell_length_b 6.41600809
_cell_length_c 6.41600809
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_spac... |
ChangeAtomAction | 8e4dfd16-c446-4611-a437-5ec3951521d7 | mp-556233 | Change the atom at index 9 into Os in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural KAs4ClO6
_chemical_formula_sum "K1 As4 Cl1 O6"
_cell_length_a 5.25328503
_cell_length_b 5.25328503
_cell_length_c 8.94578662
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001252000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural KAs4ClO3OsO2
_chemical_formula_sum "K1 As4 Cl1 O5 Os1"
_cell_length_a 5.25328503
_cell_length_b 5.25328503
_cell_length_c 8.94578662
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001252000001
_space_group_nam... |
ChangeAtomAction | a9232afa-f09e-4494-b895-7dcda4333524 | mp-753289 | Change the atom at index 15 into H in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4V4F20
_chemical_formula_sum "Li4 V4 F20"
_cell_length_a 5.277474
_cell_length_b 6.019728
_cell_length_c 12.778571
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural Li4V4F7HF12
_chemical_formula_sum "Li4 V4 F19 H1"
_cell_length_a 5.277474
_cell_length_b 6.019728
_cell_length_c 12.778571
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
ChangeAtomAction | b8ea2c59-0c85-4947-ad71-757ff43e2a08 | mp-18612 | Change the atom at index 13 into Li in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb8Mo4S16
_chemical_formula_sum "Rb8 Mo4 S16"
_cell_length_a 7.06149462
_cell_length_b 9.76420902
_cell_length_c 12.53190343
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Rb8Mo4SLiS14
_chemical_formula_sum "Rb8 Mo4 S15 Li1"
_cell_length_a 7.06149462
_cell_length_b 9.76420902
_cell_length_c 12.53190343
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
ChangeAtomAction | e85d0d71-793a-4a58-9056-2e08fa854084 | mp-27623 | Change the atom at index 15 into H in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na24Pb4O16
_chemical_formula_sum "Na24 Pb4 O16"
_cell_length_a 9.78566964
_cell_length_b 9.785669640000002
_cell_length_c 9.78566964
_cell_angle_alpha 109.47122062999999
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
... | data_image0
_chemical_formula_structural Na15HNa8Pb4O16
_chemical_formula_sum "Na23 H1 Pb4 O16"
_cell_length_a 9.78566964
_cell_length_b 9.785669640000002
_cell_length_c 9.78566964
_cell_angle_alpha 109.47122062999999
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.471... |
ChangeAtomAction | 510dcdb6-9506-4dcc-ac60-83524cfbd1b1 | mp-1226129 | Change the atom at index 6 into Hg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Eu2Ga4Ge8
_chemical_formula_sum "Eu2 Ga4 Ge8"
_cell_length_a 5.9707076
_cell_length_b 5.9707076
_cell_length_c 13.026865
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 136.87322931
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Eu2Ga4HgGe7
_chemical_formula_sum "Eu2 Ga4 Hg1 Ge7"
_cell_length_a 5.9707076
_cell_length_b 5.9707076
_cell_length_c 13.026865
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 136.87322931
_space_group_name_H-M_alt ... |
ChangeAtomAction | 15047b19-8daa-4bef-97d1-5dc7842581e2 | mp-557908 | Change the atom at index 10 into F in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural As2H10C2O2F12
_chemical_formula_sum "As2 H10 C2 O2 F12"
_cell_length_a 7.184076
_cell_length_b 5.027073
_cell_length_c 8.786539
_cell_angle_alpha 82.24691323
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural As2H8FHC2O2F12
_chemical_formula_sum "As2 H9 F13 C2 O2"
_cell_length_a 7.184076
_cell_length_b 5.027073
_cell_length_c 8.786539
_cell_angle_alpha 82.24691323
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 7bc73296-11cc-496b-ad92-69d259d83505 | mp-20673 | Change the atom at index 6 into Au in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgFe6Ge6
_chemical_formula_sum "Mg1 Fe6 Ge6"
_cell_length_a 5.04725081
_cell_length_b 5.04725561
_cell_length_c 8.18325318
_cell_angle_alpha 90.00000679000001
_cell_angle_beta 89.99998393
_cell_angle_gamma 119.99769413000001
_space... | data_image0
_chemical_formula_structural MgFe5AuGe6
_chemical_formula_sum "Mg1 Fe5 Au1 Ge6"
_cell_length_a 5.04725081
_cell_length_b 5.04725561
_cell_length_c 8.18325318
_cell_angle_alpha 90.00000679000001
_cell_angle_beta 89.99998393
_cell_angle_gamma 119.99769413000001
... |
ChangeAtomAction | eb49768f-5ef4-4645-ab79-ed681f22472d | mp-758878 | Change the atom at index 11 into Se in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3Fe8O3F13
_chemical_formula_sum "Li3 Fe8 O3 F13"
_cell_length_a 6.31150868
_cell_length_b 6.31150868
_cell_length_c 10.450769760000002
_cell_angle_alpha 72.02306054
_cell_angle_beta 72.02306054
_cell_angle_gamma 59.370140129999996... | data_image0
_chemical_formula_structural Li3Fe8SeO2F13
_chemical_formula_sum "Li3 Fe8 Se1 O2 F13"
_cell_length_a 6.31150868
_cell_length_b 6.31150868
_cell_length_c 10.450769760000002
_cell_angle_alpha 72.02306054
_cell_angle_beta 72.02306054
_cell_angle_gamma 59.370140129... |
ChangeAtomAction | 95647e3f-eff1-4f1c-8c80-8a7be77a1b9c | mp-757738 | Change the atom at index 18 into Mo in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe19Co5O32
_chemical_formula_sum "Fe19 Co5 O32"
_cell_length_a 8.52149173
_cell_length_b 8.521491729999997
_cell_length_c 10.391043419999999
_cell_angle_alpha 66.16597597
_cell_angle_beta 66.16597596999999
_cell_angle_gamma 89.91677... | data_image0
_chemical_formula_structural Fe18MoCo5O32
_chemical_formula_sum "Fe18 Mo1 Co5 O32"
_cell_length_a 8.52149173
_cell_length_b 8.521491729999997
_cell_length_c 10.391043419999999
_cell_angle_alpha 66.16597597
_cell_angle_beta 66.16597596999999
_cell_angle_gamma 89... |
ChangeAtomAction | e79a3385-1c8b-4a3d-a76e-e9069261bb91 | mp-560175 | Change the atom at index 45 into Cf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8Th2Mo8O32
_chemical_formula_sum "Na8 Th2 Mo8 O32"
_cell_length_a 10.18177095
_cell_length_b 10.18177095
_cell_length_c 10.18177095
_cell_angle_alpha 110.81801909
_cell_angle_beta 110.81801909
_cell_angle_gamma 106.80995467
_spac... | data_image0
_chemical_formula_structural Na8Th2Mo8O27CfO4
_chemical_formula_sum "Na8 Th2 Mo8 O31 Cf1"
_cell_length_a 10.18177095
_cell_length_b 10.18177095
_cell_length_c 10.18177095
_cell_angle_alpha 110.81801909
_cell_angle_beta 110.81801909
_cell_angle_gamma 106.8099546... |
ChangeAtomAction | 3e02fec4-79a6-429c-bf4d-bd4f998955a6 | mp-779589 | Change the atom at index 46 into Cl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na12Sb20O56
_chemical_formula_sum "Na12 Sb20 O56"
_cell_length_a 7.26747
_cell_length_b 7.589262
_cell_length_c 24.033403
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Na12Sb20O14ClO41
_chemical_formula_sum "Na12 Sb20 O55 Cl1"
_cell_length_a 7.26747
_cell_length_b 7.589262
_cell_length_c 24.033403
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
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