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 |
|---|---|---|---|---|---|
AddAtomAction | 274fa991-610f-442b-8f07-14c03f811416 | mp-1229180 | Add one Au atom at the Cartesian coordinate [2.2 5.108 5.809] to the cif file. | 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 Ag8Sb5As3S16Au
_chemical_formula_sum "Ag8 Sb5 As3 S16 Au1"
_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_g... |
AddAtomAction | 1ca60e5b-127f-4880-bade-5ba09503a9dd | mp-1232387 | Add one Fr atom at the Cartesian coordinate [1.302 5.721 0.048] to the cif file. | 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 Y8Mg4S16Fr
_chemical_formula_sum "Y8 Mg4 S16 Fr1"
_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"
_spac... |
AddAtomAction | b34cfd91-415e-4f01-af56-c2deef48b502 | mp-1216954 | Add one Ba atom at the Cartesian coordinate [1.075 3.584 4.327] to the cif file. | 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 Tm6Sc6Ge6Ba
_chemical_formula_sum "Tm6 Sc6 Ge6 Ba1"
_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
_spac... |
AddAtomAction | c165ba00-ced5-4791-86b7-a6755bc8ef69 | mp-2426125 | Add one Rg atom at the Cartesian coordinate [0.449 3.444 5.841] to the cif file. | 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 Mg18Sn10Rg
_chemical_formula_sum "Mg18 Sn10 Rg1"
_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
_s... |
AddAtomAction | 5061155f-2557-431b-8b5a-3ca0faf462e8 | mp-1174883 | Add one Sc atom at the Cartesian coordinate [ 4.101 1.291 12.304] to the cif file. | 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 Li8Mn2Co4O14Sc
_chemical_formula_sum "Li8 Mn2 Co4 O14 Sc1"
_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 32.6933560... |
AddAtomAction | 3ef9d55c-3661-47d4-bddf-0bfef6ca7290 | mp-1106406 | Add one Sm atom at the Cartesian coordinate [ 3.579 5.723 10.217] to the cif file. | 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 Ce4Sn2S10Sm
_chemical_formula_sum "Ce4 Sn2 S10 Sm1"
_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... |
AddAtomAction | e6c66cfb-bf83-4ccf-90c6-e598486ac788 | mp-541006 | Add one Gd atom at the Cartesian coordinate [0.838 3.038 9.066] to the cif file. | 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 Ba4Tl4V4O16Gd
_chemical_formula_sum "Ba4 Tl4 V4 O16 Gd1"
_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... |
AddAtomAction | f8c9ff00-83d4-44a3-b1b7-8cadb16f737d | mp-1211876 | Add one Yb atom at the Cartesian coordinate [ 9.339 9.08 15.898] to the cif file. | 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 K4Hf24C4Cl60Yb
_chemical_formula_sum "K4 Hf24 C4 Cl60 Yb1"
_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... |
AddAtomAction | 0f6a0cdd-efd6-4c32-b9a4-a395d238e3ca | mp-2232781 | Add one Li atom at the Cartesian coordinate [3.1 5.064 6.75 ] to the cif file. | 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 MgTi4Pb2O9F2Li
_chemical_formula_sum "Mg1 Ti4 Pb2 O9 F2 Li1"
_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.... |
AddAtomAction | 7530c421-6f43-46e0-a110-bcd4e1c90c5f | mp-1211275 | Add one K atom at the Cartesian coordinate [-0.142 3.26 6.588] to the cif file. | 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 KMg3Si4O12K
_chemical_formula_sum "K2 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_grou... |
AddAtomAction | 34235fa7-9895-4fd4-95e7-5886f2f2aec5 | mp-568136 | Add one Mt atom at the Cartesian coordinate [-4.622 9.273 2.645] to the cif file. | 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 Rb6V6Br18Mt
_chemical_formula_sum "Rb6 V6 Br18 Mt1"
_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 119.999950... |
AddAtomAction | a14a726f-fd8f-4fed-864c-63e10904f9d9 | mp-765621 | Add one Eu atom at the Cartesian coordinate [12.908 0.421 3.903] to the cif file. | 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 V4F20Eu
_chemical_formula_sum "V4 F20 Eu1"
_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... |
AddAtomAction | 45ee2931-b26c-4ea6-99c1-7e77ae2e7738 | mp-1104730 | Add one Rn atom at the Cartesian coordinate [1.948 0.353 5.063] to the cif file. | 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 Sm2Ni8Sn4Rn
_chemical_formula_sum "Sm2 Ni8 Sn4 Rn1"
_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
_... |
AddAtomAction | 5074d438-482c-4d91-8034-8d7fb82924b0 | mp-723254 | Add one Rf atom at the Cartesian coordinate [2.452 3.825 4.391] to the cif file. | 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 Na11Zr8Si7P5O48Rf
_chemical_formula_sum "Na11 Zr8 Si7 P5 O48 Rf1"
_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 ... |
AddAtomAction | d14c42a4-4940-4184-9188-50b5e8623f5f | mp-1103810 | Add one Fm atom at the Cartesian coordinate [2.019 1.772 2.476] to the cif file. | 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 Y6Al2C6Fm
_chemical_formula_sum "Y6 Al2 C6 Fm1"
_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... |
AddAtomAction | f0b110ef-18d4-4b8f-aca0-204032899945 | mp-1078810 | Add one Cs atom at the Cartesian coordinate [4.387 3.511 0.175] to the cif file. | 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 Sc4Sn2Au4Cs
_chemical_formula_sum "Sc4 Sn2 Au4 Cs1"
_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... |
AddAtomAction | ba2f5555-a045-45a1-a53b-2eb29bb0c161 | mp-768848 | Add one Hg atom at the Cartesian coordinate [7.581 1.9 5.239] to the cif file. | 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 Tb4W6O24Hg
_chemical_formula_sum "Tb4 W6 O24 Hg1"
_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_... |
AddAtomAction | 5c9628b2-4798-4fa1-9ff8-18ee9b1b33bc | mp-2239931 | Add one Mt atom at the Cartesian coordinate [ 1.835 1.196 35.354] to the cif file. | 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 MgMo3Se4S2Mt
_chemical_formula_sum "Mg1 Mo3 Se4 S2 Mt1"
_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_gr... |
AddAtomAction | 1dfd30c3-a405-44d5-9e8a-bdd809b53aa9 | mp-1110608 | Add one Li atom at the Cartesian coordinate [5.211 6.367 2.396] to the cif file. | 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 Rb2InAgF6Li
_chemical_formula_sum "Rb2 In1 Ag1 F6 Li1"
_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 59.9999999999... |
AddAtomAction | 16122634-a332-4794-b167-7619bd917702 | mp-725609 | Add one Re atom at the Cartesian coordinate [1.907 1.366 5.587] to the cif file. | 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 C4N4O10Re
_chemical_formula_sum "C4 N4 O10 Re1"
_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_... |
AddAtomAction | 0d8ce223-a9d7-4fb6-b885-3d73d5181409 | mp-1246779 | Add one La atom at the Cartesian coordinate [-1.883 1.995 11.065] to the cif file. | 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 Ba10Hf4N12La
_chemical_formula_sum "Ba10 Hf4 N12 La1"
_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_g... |
AddAtomAction | 127925fc-e1d0-47c1-824c-6a63b9262ed0 | mp-560911 | Add one Ne atom at the Cartesian coordinate [2.032 1.324 4.704] to the cif file. | 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 Mn12B28Br4O52Ne
_chemical_formula_sum "Mn12 B28 Br4 O52 Ne1"
_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 "... |
AddAtomAction | ca872156-d63b-4ce5-88da-fcb96850f783 | mp-1227709 | Add one Y atom at the Cartesian coordinate [2.494 7.712 6.171] to the cif file. | 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 Bi2P6Pb6O24Y
_chemical_formula_sum "Bi2 P6 Pb6 O24 Y1"
_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... |
AddAtomAction | c01bce03-c556-4f08-92b3-3bb1c4ab1f52 | mp-650121 | Add one Pd atom at the Cartesian coordinate [2.829 4.07 4.782] to the cif file. | 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 Li12Se6O24Pd
_chemical_formula_sum "Li12 Se6 O24 Pd1"
_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_gro... |
AddAtomAction | 33322ef0-d294-4a97-9865-10bd86677f47 | mp-801544 | Add one Tb atom at the Cartesian coordinate [2.698 4.024 4.116] to the cif file. | 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 V2P4H16N4O16Tb
_chemical_formula_sum "V2 P4 H16 N4 O16 Tb1"
_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... |
AddAtomAction | e62e0fd9-e4c6-4bc0-b1d5-f98bc0168ede | mp-1194264 | Add one Br atom at the Cartesian coordinate [9.463 5.733 0.069] to the cif file. | 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 Sc6Al16Ni7Br
_chemical_formula_sum "Sc6 Al16 Ni7 Br1"
_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 59.99999999... |
AddAtomAction | 721abf74-822c-4617-97eb-eaeea3c7831d | mp-1192051 | Add one Dy atom at the Cartesian coordinate [ 8.174 5.056 10.319] to the cif file. | 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 Nd5Ni19Dy
_chemical_formula_sum "Nd5 Ni19 Dy1"
_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_... |
AddAtomAction | cb0a3134-1865-4f4e-9d33-3652c148ea63 | mp-1212483 | Add one Re atom at the Cartesian coordinate [0.696 4.695 4.891] to the cif file. | 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 Hg16P4H4N4O28Re
_chemical_formula_sum "Hg16 P4 H4 N4 O28 Re1"
_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... |
AddAtomAction | 7df558e5-4fc6-4a38-b84b-beefef41abac | mp-1193413 | Add one S atom at the Cartesian coordinate [3.697 3.416 5.584] to the cif file. | 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 Sc2H6C6O12S
_chemical_formula_sum "Sc2 H6 C6 O12 S1"
_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 103.805139... |
AddAtomAction | f76c47d8-83dd-463a-a805-2790777887cd | mp-1288374 | Add one Cn atom at the Cartesian coordinate [0.031 2.679 1.031] to the cif file. | 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 Li2V6O8Cn
_chemical_formula_sum "Li2 V6 O8 Cn1"
_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... |
AddAtomAction | fdafc334-7aa2-4a60-a65e-72e0236c3d8b | mp-1188903 | Add one Co atom at the Cartesian coordinate [0.541 6.911 9.844] to the cif file. | 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 Pt2Cl8O10Co
_chemical_formula_sum "Pt2 Cl8 O10 Co1"
_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... |
AddAtomAction | 43fcdbaa-82cd-4336-9819-b57aa007e770 | mp-1078939 | Add one Ac atom at the Cartesian coordinate [0.593 3.452 0.6 ] to the cif file. | 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 Mn2N2F6Ac
_chemical_formula_sum "Mn2 N2 F6 Ac1"
_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_gr... |
AddAtomAction | 77d73b4c-933c-4337-9ad1-61a41be8c58e | mp-1220278 | Add one Yb atom at the Cartesian coordinate [1.846 1.001 7.575] to the cif file. | 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 Nd4Fe4Co12B3CYb
_chemical_formula_sum "Nd4 Fe4 Co12 B3 C1 Yb1"
_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... |
AddAtomAction | 09c22b26-bc48-4d6d-b770-bbd263a16157 | mp-759506 | Add one B atom at the Cartesian coordinate [1.928 2.608 0.753] to the cif file. | 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 Li4V2Cr2P8O28B
_chemical_formula_sum "Li4 V2 Cr2 P8 O28 B1"
_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 118.7205126... |
AddAtomAction | f77289d3-fd3d-4337-bddf-0f163bf89376 | mp-1305999 | Add one Ra atom at the Cartesian coordinate [1.09 1.046 0.268] to the cif file. | 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 Li3TiNi4O8Ra
_chemical_formula_sum "Li3 Ti1 Ni4 O8 Ra1"
_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... |
AddAtomAction | ba4163a0-a50c-42f4-8dac-5ab416d0ce57 | mp-27868 | Add one Au atom at the Cartesian coordinate [2.93 5.759 2.016] to the cif file. | 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 V2N2Cl8Au
_chemical_formula_sum "V2 N2 Cl8 Au1"
_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... |
AddAtomAction | d0825583-f6b1-4f28-b786-e79e94f6f6dc | mp-1224356 | Add one Pt atom at the Cartesian coordinate [ 0.318 -0.189 1.004] to the cif file. | 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 Ge5Te4SePt
_chemical_formula_sum "Ge5 Te4 Se1 Pt1"
_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 2... |
AddAtomAction | ff6349ca-f9f2-4e8b-8d7c-451495a454e7 | mp-756136 | Add one Pd atom at the Cartesian coordinate [ 4.861 10.753 12.948] to the cif file. | 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 Ca4Pb4I16Pd
_chemical_formula_sum "Ca4 Pb4 I16 Pd1"
_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 ... |
AddAtomAction | 44b31473-ef81-4eb4-98d0-63f0aab0ccf7 | mp-849219 | Add one Lv atom at the Cartesian coordinate [-5.85 5.365 0.79 ] to the cif file. | 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 V6O8F4Lv
_chemical_formula_sum "V6 O8 F4 Lv1"
_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... |
AddAtomAction | 69fa2b87-b292-470e-8dec-21e91f8b19fb | mp-7492 | Add one As atom at the Cartesian coordinate [1.696 1.882 1.862] to the cif file. | 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 La2B2O6As
_chemical_formula_sum "La2 B2 O6 As1"
_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_... |
AddAtomAction | 03941351-5f09-4c67-b106-a00bee87cbc3 | mp-1233403 | Add one Mc atom at the Cartesian coordinate [ 1.032 10.886 0.692] to the cif file. | 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 Ba2MgNb6N2O14Mc
_chemical_formula_sum "Ba2 Mg1 Nb6 N2 O14 Mc1"
_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 89.1567911999... |
AddAtomAction | 87514dff-ab2e-42fe-9b7d-5700465ae22e | mp-1223484 | Add one Lu atom at the Cartesian coordinate [-0.048 4.495 5.292] to the cif file. | 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 K2V6Pb8O24Lu
_chemical_formula_sum "K2 V6 Pb8 O24 Lu1"
_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_nam... |
AddAtomAction | 9ef1a577-30b9-43ae-9639-dc2ebba34194 | mp-2452 | Add one Rb atom at the Cartesian coordinate [-0.336 -0.096 7.907] to the cif file. | 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 P4O10Rb
_chemical_formula_sum "P4 O10 Rb1"
_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_na... |
AddAtomAction | 833d85f8-4f59-499b-b6eb-908d2de638fa | mp-29817 | Add one Fm atom at the Cartesian coordinate [ 1.202 14.504 18.707] to the cif file. | 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 Ga8P16I72Fm
_chemical_formula_sum "Ga8 P16 I72 Fm1"
_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"
_... |
AddAtomAction | 9e49b5d3-1427-4dcd-81ab-3c1a6b81df49 | mp-777466 | Add one Ne atom at the Cartesian coordinate [ 3.902 -1.921 7.992] to the cif file. | 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 Li16Fe8F32Ne
_chemical_formula_sum "Li16 Fe8 F32 Ne1"
_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_gr... |
AddAtomAction | 5bd88068-b6d0-4c6a-993a-a313a251f8f0 | mp-770799 | Add one S atom at the Cartesian coordinate [1.752 5.674 8.638] to the cif file. | 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 Li10Nb2O10S
_chemical_formula_sum "Li10 Nb2 O10 S1"
_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
_... |
AddAtomAction | 49a1d76f-a245-43d0-9710-3e7c4d3db293 | mp-1218785 | Add one Og atom at the Cartesian coordinate [15.586 5.264 5.87 ] to the cif file. | 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 Sr8Ca3NdTl2Cu8Pb2O28Og
_chemical_formula_sum "Sr8 Ca3 Nd1 Tl2 Cu8 Pb2 O28 Og1"
_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... |
AddAtomAction | db8a7108-a834-44c1-8919-7162106245a2 | mp-1110792 | Add one Cl atom at the Cartesian coordinate [10.069 5.775 4.652] to the cif file. | 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 Na3InCl7
_chemical_formula_sum "Na3 In1 Cl7"
_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... |
AddAtomAction | 7a48c4eb-9933-4542-a490-b953c78b37e8 | mp-1221912 | Add one Ga atom at the Cartesian coordinate [22.249 3.271 3.98 ] to the cif file. | 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 Mn2CrGa3S8Ga
_chemical_formula_sum "Mn2 Cr1 Ga4 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
... |
AddAtomAction | 9971ef9e-31b9-4fd8-b1f4-da3c3023a889 | mp-2884 | Add one Al atom at the Cartesian coordinate [ 9.395 10.071 6.601] to the cif file. | 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 Cs4Mn6S8Al
_chemical_formula_sum "Cs4 Mn6 S8 Al1"
_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... |
AddAtomAction | 60f4030e-4b83-4391-bf9e-dd6a6f74bac3 | mp-558545 | Add one Ne atom at the Cartesian coordinate [0.344 4.373 5.419] to the cif file. | 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 C8S4N12Cl12Ne
_chemical_formula_sum "C8 S4 N12 Cl12 Ne1"
_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_al... |
AddAtomAction | e7ed22dc-f4f5-46af-a11b-249e6450bcb1 | mp-705680 | Add one La atom at the Cartesian coordinate [0.46 4.747 2.352] to the cif file. | 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 La4Mo4O18La
_chemical_formula_sum "La5 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
... |
AddAtomAction | f5aacfb2-7aed-4b0a-a9e4-61a88eef320a | mp-25284 | Add one Ds atom at the Cartesian coordinate [0.171 2.063 6.889] to the cif file. | 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 Li2Mn4Ni2O12Ds
_chemical_formula_sum "Li2 Mn4 Ni2 O12 Ds1"
_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
_sp... |
AddAtomAction | 7ee13102-7fac-4b22-84cb-dabef9d355b1 | mp-643263 | Add one Ag atom at the Cartesian coordinate [-0.744 5.286 0.024] to the cif file. | 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 Na3VH6O7Ag
_chemical_formula_sum "Na3 V1 H6 O7 Ag1"
_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 100.003740300000... |
AddAtomAction | 9915de23-bc26-4427-9f7b-1a25de5f88c3 | mp-697170 | Add one Ac atom at the Cartesian coordinate [ 0.531 1.926 11.731] to the cif file. | 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 Mg4H24Br8N8Ac
_chemical_formula_sum "Mg4 H24 Br8 N8 Ac1"
_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... |
AddAtomAction | 7ec9c98d-15fd-47e8-98e6-1cd1df14d9fb | mp-1193845 | Add one Te atom at the Cartesian coordinate [11.836 6.068 1.677] to the cif file. | 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 Ho6Al7Cu16Te
_chemical_formula_sum "Ho6 Al7 Cu16 Te1"
_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... |
AddAtomAction | 1c4fc39e-23bc-43dd-a0ef-3f81ce8c3d90 | mp-1106174 | Add one Es atom at the Cartesian coordinate [ 1.777 -0.281 1.874] to the cif file. | 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 Tb14Rh6Es
_chemical_formula_sum "Tb14 Rh6 Es1"
_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 90.0009588... |
AddAtomAction | 80f5d867-279b-4f2e-9e0d-847370262390 | mp-16431 | Add one B atom at the Cartesian coordinate [5.946 1.492 0.357] to the cif file. | 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 NdFe4P12B
_chemical_formula_sum "Nd1 Fe4 P12 B1"
_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... |
AddAtomAction | 12211dc8-93a1-417e-ba58-9eb5740bcfd6 | mp-1236250 | Add one Sb atom at the Cartesian coordinate [3.809 3.386 2.71 ] to the cif file. | 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 LiCo5SbO8Sb
_chemical_formula_sum "Li1 Co5 Sb2 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
... |
AddAtomAction | 3af15432-fadd-49d9-9f2b-76c85c666c37 | mp-675818 | Add one Rh atom at the Cartesian coordinate [4.187 1.556 0.842] to the cif file. | 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 Li11TiAs5Rh
_chemical_formula_sum "Li11 Ti1 As5 Rh1"
_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 33.2... |
AddAtomAction | 8eebe3e1-6805-49f1-9c6c-b29dfbc69e62 | mp-1043721 | Add one K atom at the Cartesian coordinate [1.559 4.029 3.175] to the cif file. | 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 Mg4Sn4Bi4O20K
_chemical_formula_sum "Mg4 Sn4 Bi4 O20 K1"
_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... |
AddAtomAction | 983cd6a7-8691-4286-8412-ea6bb3450ff9 | mp-1180529 | Add one P atom at the Cartesian coordinate [-0.108 1.796 3.708] to the cif file. | 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 Li4Mn4P4O20P
_chemical_formula_sum "Li4 Mn4 P5 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... |
AddAtomAction | b8163dc7-06b8-4fe8-a1e0-ef3c4ff0517d | mp-1226424 | Add one He atom at the Cartesian coordinate [ 9.008 12.852 19.954] to the cif file. | 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 Cs6Er10P12S48He
_chemical_formula_sum "Cs6 Er10 P12 S48 He1"
_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
... |
AddAtomAction | e208fdd1-b51a-4684-aabd-499f1d067331 | mp-766117 | Add one F atom at the Cartesian coordinate [-1.542 -3.274 7.11 ] to the cif file. | 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 Sn16N16O8F
_chemical_formula_sum "Sn16 N16 O8 F1"
_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
_s... |
AddAtomAction | c7d9e664-cf0b-4f56-a30e-61a94be8cd94 | mp-1189274 | Add one Cn atom at the Cartesian coordinate [1.273 6.31 6.64 ] to the cif file. | 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 Er12Ru4Cn
_chemical_formula_sum "Er12 Ru4 Cn1"
_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_gr... |
AddAtomAction | 4fefe98c-8653-42c9-a8bf-22c7f520b0cd | mp-29957 | Add one Br atom at the Cartesian coordinate [0.396 7.775 4.307] to the cif file. | 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 Zr15Te18Br
_chemical_formula_sum "Zr15 Te18 Br1"
_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... |
AddAtomAction | 512fa7b4-fe4f-4431-87d5-ada557e95bda | mp-1102040 | Add one Am atom at the Cartesian coordinate [4.158 6.557 6.575] to the cif file. | 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 Ca4Sn4Pt4Am
_chemical_formula_sum "Ca4 Sn4 Pt4 Am1"
_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 ... |
AddAtomAction | e02408ef-49c0-4837-b3e7-1dc9046c9bc1 | mp-1220018 | Add one Zn atom at the Cartesian coordinate [3.995 5.142 1.659] to the cif file. | 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 Pr2Mn17C2Zn
_chemical_formula_sum "Pr2 Mn17 C2 Zn1"
_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 84.314... |
AddAtomAction | 104c04f8-b2b3-4a7f-a5d1-b601e11effed | mp-1228744 | Add one Ds atom at the Cartesian coordinate [3.456 4.569 7.801] to the cif file. | 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 Ba6V8P12O48Ds
_chemical_formula_sum "Ba6 V8 P12 O48 Ds1"
_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_... |
AddAtomAction | 7f41a381-8317-4712-bb03-d58edd286818 | mp-760194 | Add one Rg atom at the Cartesian coordinate [8.758 7.548 7.004] to the cif file. | 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 Li8V8F48Rg
_chemical_formula_sum "Li8 V8 F48 Rg1"
_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 ... |
AddAtomAction | 6d61a032-e1ef-401d-8257-3b9d6fd65b93 | mp-1181679 | Add one At atom at the Cartesian coordinate [4.458 3.157 0.798] to the cif file. | 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 Ga8Si8C32N8At
_chemical_formula_sum "Ga8 Si8 C32 N8 At1"
_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 ... |
AddAtomAction | cd129056-eeb9-41b0-9334-abc71e1ce217 | mp-1101024 | Add one Cd atom at the Cartesian coordinate [5.911 4.519 3.174] to the cif file. | 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 Ti4Zn8O16Cd
_chemical_formula_sum "Ti4 Zn8 O16 Cd1"
_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"
_sp... |
AddAtomAction | d98e66fc-a6bb-4fe1-925d-f60461900cb0 | mp-1518110 | Add one Bi atom at the Cartesian coordinate [4.098 4.007 3.248] to the cif file. | 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 SrEuYCoO6Bi
_chemical_formula_sum "Sr1 Eu1 Y1 Co1 O6 Bi1"
_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 ... |
AddAtomAction | 65faded4-3a80-4f70-8bd6-2fe3046ea506 | mp-770874 | Add one Nb atom at the Cartesian coordinate [8.527 5.468 3.297] to the cif file. | 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 Na12Co4P2C8O32Nb
_chemical_formula_sum "Na12 Co4 P2 C8 O32 Nb1"
_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 5... |
AddAtomAction | 45c19699-a52f-4b1a-9ec1-87d1b2c4b2f0 | mp-29082 | Add one Mc atom at the Cartesian coordinate [2.572 3.097 3.839] to the cif file. | 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 Ba10Cr2N10Mc
_chemical_formula_sum "Ba10 Cr2 N10 Mc1"
_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 96.0779043... |
AddAtomAction | 2df12cff-a250-494f-997e-763562042ef9 | mp-1212423 | Add one Kr atom at the Cartesian coordinate [ 2.989 -2.481 4.308] to the cif file. | 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 Ho12In3Fe2Kr
_chemical_formula_sum "Ho12 In3 Fe2 Kr1"
_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_... |
AddAtomAction | 12da733e-a5b8-4abf-86c4-8e6ffa71ee77 | mp-1201334 | Add one Am atom at the Cartesian coordinate [5.814 6.371 7.205] to the cif file. | 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 NiH20PdC4N4O12Am
_chemical_formula_sum "Ni1 H20 Pd1 C4 N4 O12 Am1"
_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... |
AddAtomAction | 2f650f79-c545-4009-9872-b6e3b7c003a4 | mp-698325 | Add one I atom at the Cartesian coordinate [5.44 0.569 7.876] to the cif file. | 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 Ba4H16C12O24I
_chemical_formula_sum "Ba4 H16 C12 O24 I1"
_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 141.0... |
AddAtomAction | ed3d946e-97d7-43f8-9d5b-5f6982cef579 | mp-1031354 | Add one Rf atom at the Cartesian coordinate [2.408 2.105 0.594] to the cif file. | 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 Mg6TiCO8Rf
_chemical_formula_sum "Mg6 Ti1 C1 O8 Rf1"
_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 ... |
AddAtomAction | 9ab57bec-f670-4e19-ae5a-bd1135ae8bad | mp-532718 | Add one Er atom at the Cartesian coordinate [13.022 1.452 0.423] to the cif file. | 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 Ca6Nd6Mn12O36Er
_chemical_formula_sum "Ca6 Nd6 Mn12 O36 Er1"
_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 ... |
AddAtomAction | 232e09ec-5bef-4be7-ab05-72ed33f92f2e | mp-1212504 | Add one Ar atom at the Cartesian coordinate [ 1.166 13.176 10.41 ] to the cif file. | 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 Nd8P12H20W4O36Ar
_chemical_formula_sum "Nd8 P12 H20 W4 O36 Ar1"
_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_grou... |
AddAtomAction | c55ecae7-c1dd-4c62-a2ac-30d8c4758b37 | mp-1194285 | Add one Tb atom at the Cartesian coordinate [3.265 0.492 8.329] to the cif file. | 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 Lu4Mo4Br4O16Tb
_chemical_formula_sum "Lu4 Mo4 Br4 O16 Tb1"
_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... |
AddAtomAction | cf38bc57-14cc-4fa9-83f7-f97173817c33 | mp-980108 | Add one Cu atom at the Cartesian coordinate [2.843 5.022 2.337] to the cif file. | 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 Sm4Mg2Ir2O12Cu
_chemical_formula_sum "Sm4 Mg2 Ir2 O12 Cu1"
_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_al... |
AddAtomAction | 9ce7b19e-0e3e-43a8-aa28-2850a4dbbf96 | mp-1046973 | Add one Ni atom at the Cartesian coordinate [3.937 2.386 3.262] to the cif file. | 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 Nb4Zn4Ni2O16Ni
_chemical_formula_sum "Nb4 Zn4 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_gr... |
AddAtomAction | ecdbafa9-f231-4fbd-bc1d-7891113ae4bc | mp-761271 | Add one Tl atom at the Cartesian coordinate [2.394 6.63 1.489] to the cif file. | 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 Li8V4O4F16Tl
_chemical_formula_sum "Li8 V4 O4 F16 Tl1"
_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
_sp... |
AddAtomAction | 72eaaecb-3394-4bf7-aa98-ae3622b0c7a8 | mp-1219571 | Add one Tm atom at the Cartesian coordinate [-0.512 3.279 3.631] to the cif file. | 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 Rb2Mg2Cr2F12Tm
_chemical_formula_sum "Rb2 Mg2 Cr2 F12 Tm1"
_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
_sp... |
AddAtomAction | 921cc14c-12f6-49d9-b890-7c0d3c767310 | mp-685281 | Add one Au atom at the Cartesian coordinate [0.797 3.854 0.385] to the cif file. | 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 TiZnH12O6F6Au
_chemical_formula_sum "Ti1 Zn1 H12 O6 F6 Au1"
_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 95.5639533... |
AddAtomAction | 7f98ecd2-33e9-4e27-a1a2-de067d1cec34 | mp-759040 | Add one As atom at the Cartesian coordinate [8.693 5.55 2.146] to the cif file. | 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 Li2Mn4P10O30As
_chemical_formula_sum "Li2 Mn4 P10 O30 As1"
_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_... |
AddAtomAction | 3473e84b-ee60-46ed-9af1-1c6d44844ee3 | mp-510056 | Add one S atom at the Cartesian coordinate [0.118 3.036 2.108] to the cif file. | 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 CaV4Cu3O12S
_chemical_formula_sum "Ca1 V4 Cu3 O12 S1"
_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_... |
AddAtomAction | 000d314f-6ce9-4ecc-942f-a3eb483ae742 | mp-556233 | Add one Al atom at the Cartesian coordinate [-0.482 4.353 5.189] to the cif file. | 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 KAs4ClO6Al
_chemical_formula_sum "K1 As4 Cl1 O6 Al1"
_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_... |
AddAtomAction | f0b373f6-bc1e-42f1-9a9e-ece669b31181 | mp-753289 | Add one Li atom at the Cartesian coordinate [2.774 1.235 6.117] to the cif file. | 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 Li4V4F20Li
_chemical_formula_sum "Li5 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_gr... |
AddAtomAction | 44905433-56c1-4326-9f39-8f7e55e7625e | mp-18612 | Add one Mn atom at the Cartesian coordinate [ 3.581 7.77 10.571] to the cif file. | 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 Rb8Mo4S16Mn
_chemical_formula_sum "Rb8 Mo4 S16 Mn1"
_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 ... |
AddAtomAction | fa1e710f-55a5-4111-9338-94b9c08012d3 | mp-27623 | Add one Bi atom at the Cartesian coordinate [2.556 2.796 5.898] to the cif file. | 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 Na24Pb4O16Bi
_chemical_formula_sum "Na24 Pb4 O16 Bi1"
_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 109.4712... |
AddAtomAction | b4d358fc-3872-4448-8711-17f5f229c364 | mp-1226129 | Add one O atom at the Cartesian coordinate [-1.15 2.519 1.495] to the cif file. | 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 Eu2Ga4Ge8O
_chemical_formula_sum "Eu2 Ga4 Ge8 O1"
_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 "... |
AddAtomAction | d7319cb1-86a0-4a66-a937-292f3e861dcc | mp-557908 | Add one Es atom at the Cartesian coordinate [6.774 3.87 3.289] to the cif file. | 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 As2H10C2O2F12Es
_chemical_formula_sum "As2 H10 C2 O2 F12 Es1"
_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_... |
AddAtomAction | 3617f16a-1358-4971-8da1-0adcaf3219be | mp-20673 | Add one Si atom at the Cartesian coordinate [2.993 3.086 0.532] to the cif file. | 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 MgFe6Ge6Si
_chemical_formula_sum "Mg1 Fe6 Ge6 Si1"
_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
... |
AddAtomAction | 8c083753-0ba8-4ea0-b0a3-ce10fc013370 | mp-758878 | Add one Mo atom at the Cartesian coordinate [4.254 5.238 3.516] to the cif file. | 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 Li3Fe8O3F13Mo
_chemical_formula_sum "Li3 Fe8 O3 F13 Mo1"
_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... |
AddAtomAction | b58e569f-cb76-489f-b3f2-9496e9add1f0 | mp-757738 | Add one Ra atom at the Cartesian coordinate [4.281 2.872 1.114] to the cif file. | 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 Fe19Co5O32Ra
_chemical_formula_sum "Fe19 Co5 O32 Ra1"
_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... |
AddAtomAction | ebe9a0ad-bc85-48bd-8339-caae7947530e | mp-560175 | Add one S atom at the Cartesian coordinate [6.746 1.183 2.534] to the cif file. | 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 Na8Th2Mo8O32S
_chemical_formula_sum "Na8 Th2 Mo8 O32 S1"
_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
_... |
AddAtomAction | cfaf3878-0dd9-4343-9dd8-655c258eb328 | mp-779589 | Add one Ba atom at the Cartesian coordinate [ 0.126 1.779 22.988] to the cif file. | 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 Na12Sb20O56Ba
_chemical_formula_sum "Na12 Sb20 O56 Ba1"
_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"
... |
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