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 | c7ec5833-bc50-468f-9086-48452ffae34b | mp-3380 | Add one La atom at the Cartesian coordinate [0.401 3.566 2.39 ] to the cif file. | data_image0
_chemical_formula_structural La4Rh4C8
_chemical_formula_sum "La4 Rh4 C8"
_cell_length_a 3.991291
_cell_length_b 3.991291
_cell_length_c 15.419415
_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 La4Rh4C8La
_chemical_formula_sum "La5 Rh4 C8"
_cell_length_a 3.991291
_cell_length_b 3.991291
_cell_length_c 15.419415
_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 | 7d314695-fcec-4679-ae9a-877c2b16179d | mp-570405 | Add one Sc atom at the Cartesian coordinate [1.532 4.759 2.899] to the cif file. | data_image0
_chemical_formula_structural Ti4Hg24P16Cl28
_chemical_formula_sum "Ti4 Hg24 P16 Cl28"
_cell_length_a 12.046794
_cell_length_b 12.046794
_cell_length_c 12.046794
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ti4Hg24P16Cl28Sc
_chemical_formula_sum "Ti4 Hg24 P16 Cl28 Sc1"
_cell_length_a 12.046794
_cell_length_b 12.046794
_cell_length_c 12.046794
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
AddAtomAction | 0e50390c-6ea1-430a-9516-b58531ed548c | mp-19489 | Add one Fr atom at the Cartesian coordinate [1.214 0.755 4.441] to the cif file. | data_image0
_chemical_formula_structural Sm4Co4B20O40
_chemical_formula_sum "Sm4 Co4 B20 O40"
_cell_length_a 7.654513
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm4Co4B20O40Fr
_chemical_formula_sum "Sm4 Co4 B20 O40 Fr1"
_cell_length_a 7.654513
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
AddAtomAction | 3076d5e6-a14a-430c-a260-457f1077e680 | mp-1197276 | Add one Sm atom at the Cartesian coordinate [13.091 0.193 3.165] to the cif file. | data_image0
_chemical_formula_structural La14I6O36
_chemical_formula_sum "La14 I6 O36"
_cell_length_a 16.40249444
_cell_length_b 16.40249444
_cell_length_c 4.250983
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000177999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural La14I6O36Sm
_chemical_formula_sum "La14 I6 O36 Sm1"
_cell_length_a 16.40249444
_cell_length_b 16.40249444
_cell_length_c 4.250983
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000177999999
_space_group_name_H... |
AddAtomAction | 3bfff073-8d8d-4701-8ac7-649eca23ac8d | mp-1205145 | Add one Sg atom at the Cartesian coordinate [2.747 0.471 8.311] to the cif file. | data_image0
_chemical_formula_structural Na8Ti4Si16H8O52
_chemical_formula_sum "Na8 Ti4 Si16 H8 O52"
_cell_length_a 7.446428
_cell_length_b 8.787016
_cell_length_c 16.530264
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Na8Ti4Si16H8O52Sg
_chemical_formula_sum "Na8 Ti4 Si16 H8 O52 Sg1"
_cell_length_a 7.446428
_cell_length_b 8.787016
_cell_length_c 16.530264
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
AddAtomAction | 4ccd1a29-3579-4256-b22b-6ac6e0724c61 | mp-1177530 | Add one Pr atom at the Cartesian coordinate [5.433 2.701 0.238] to the cif file. | data_image0
_chemical_formula_structural Li4Mn2Ni3Sn3O16
_chemical_formula_sum "Li4 Mn2 Ni3 Sn3 O16"
_cell_length_a 6.03544694
_cell_length_b 6.03544694
_cell_length_c 9.53802986
_cell_angle_alpha 89.87409019
_cell_angle_beta 89.87409019
_cell_angle_gamma 60.49918437000001... | data_image0
_chemical_formula_structural Li4Mn2Ni3Sn3O16Pr
_chemical_formula_sum "Li4 Mn2 Ni3 Sn3 O16 Pr1"
_cell_length_a 6.03544694
_cell_length_b 6.03544694
_cell_length_c 9.53802986
_cell_angle_alpha 89.87409019
_cell_angle_beta 89.87409019
_cell_angle_gamma 60.49918437... |
AddAtomAction | 092cf5f4-0c1b-4b62-9348-49b9fff24873 | mp-19484 | Add one Fe atom at the Cartesian coordinate [5.597 3.302 8.845] to the cif file. | data_image0
_chemical_formula_structural Ba4Ca4V8O28
_chemical_formula_sum "Ba4 Ca4 V8 O28"
_cell_length_a 5.871943
_cell_length_b 7.615046
_cell_length_c 15.713467
_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 Ba4Ca4V8O28Fe
_chemical_formula_sum "Ba4 Ca4 V8 O28 Fe1"
_cell_length_a 5.871943
_cell_length_b 7.615046
_cell_length_c 15.713467
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
AddAtomAction | eaf2c071-1081-431e-9c9f-c2ed917292cf | mp-1237178 | Add one Cn atom at the Cartesian coordinate [6.719 0.89 9.527] to the cif file. | data_image0
_chemical_formula_structural Hf3NiF6
_chemical_formula_sum "Hf3 Ni1 F6"
_cell_length_a 6.82183954
_cell_length_b 4.95137311
_cell_length_c 12.058364869999998
_cell_angle_alpha 90.70131472
_cell_angle_beta 86.46719308
_cell_angle_gamma 133.25539137999996
_space... | data_image0
_chemical_formula_structural Hf3NiF6Cn
_chemical_formula_sum "Hf3 Ni1 F6 Cn1"
_cell_length_a 6.82183954
_cell_length_b 4.95137311
_cell_length_c 12.058364869999998
_cell_angle_alpha 90.70131472
_cell_angle_beta 86.46719308
_cell_angle_gamma 133.25539137999996
... |
AddAtomAction | a6990d23-5288-4bc4-941c-e4d1f2eb5538 | mp-11609 | Add one Ir atom at the Cartesian coordinate [1.899 5.251 4.148] to the cif file. | data_image0
_chemical_formula_structural Sb2Mo4S4
_chemical_formula_sum "Sb2 Mo4 S4"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Sb2Mo4S4Ir
_chemical_formula_sum "Sb2 Mo4 S4 Ir1"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 3639c124-a1c6-4f2e-a14b-d1216fd67cc5 | mp-752908 | Add one U atom at the Cartesian coordinate [2.168 0.522 1.287] to the cif file. | data_image0
_chemical_formula_structural Li6Ni5O10
_chemical_formula_sum "Li6 Ni5 O10"
_cell_length_a 5.173842
_cell_length_b 5.63596531
_cell_length_c 7.7451140800000005
_cell_angle_alpha 70.79099217
_cell_angle_beta 70.80090629
_cell_angle_gamma 66.90567389
_space_group... | data_image0
_chemical_formula_structural Li6Ni5O10U
_chemical_formula_sum "Li6 Ni5 O10 U1"
_cell_length_a 5.173842
_cell_length_b 5.63596531
_cell_length_c 7.7451140800000005
_cell_angle_alpha 70.79099217
_cell_angle_beta 70.80090629
_cell_angle_gamma 66.90567389
_space_g... |
AddAtomAction | 2c760807-6937-4fe1-ade3-7760183b9346 | mp-1224446 | Add one Zr atom at the Cartesian coordinate [3.005 2.524 0.204] to the cif file. | data_image0
_chemical_formula_structural Hf3TaFe8
_chemical_formula_sum "Hf3 Ta1 Fe8"
_cell_length_a 4.94351674
_cell_length_b 4.94351723
_cell_length_c 8.06256995
_cell_angle_alpha 89.99999899
_cell_angle_beta 89.99998777
_cell_angle_gamma 119.99922461000001
_space_group... | data_image0
_chemical_formula_structural Hf3TaFe8Zr
_chemical_formula_sum "Hf3 Ta1 Fe8 Zr1"
_cell_length_a 4.94351674
_cell_length_b 4.94351723
_cell_length_c 8.06256995
_cell_angle_alpha 89.99999899
_cell_angle_beta 89.99998777
_cell_angle_gamma 119.99922461000001
_space... |
AddAtomAction | 63181ec6-4180-476b-b1fa-7e553e1176b2 | mp-1234927 | Add one Md atom at the Cartesian coordinate [0.222 1.425 6.463] to the cif file. | data_image0
_chemical_formula_structural MgFe8O14F2
_chemical_formula_sum "Mg1 Fe8 O14 F2"
_cell_length_a 5.17318023
_cell_length_b 5.174828819999999
_cell_length_c 11.60459846
_cell_angle_alpha 90.64518616999999
_cell_angle_beta 89.40149404
_cell_angle_gamma 102.09013924
... | data_image0
_chemical_formula_structural MgFe8O14F2Md
_chemical_formula_sum "Mg1 Fe8 O14 F2 Md1"
_cell_length_a 5.17318023
_cell_length_b 5.174828819999999
_cell_length_c 11.60459846
_cell_angle_alpha 90.64518616999999
_cell_angle_beta 89.40149404
_cell_angle_gamma 102.090... |
AddAtomAction | f95e8955-73ba-4e46-bd94-a88bf1e98b17 | mp-2230845 | Add one Bh atom at the Cartesian coordinate [0.99 3.785 0.526] to the cif file. | data_image0
_chemical_formula_structural MgTi2Si4O12
_chemical_formula_sum "Mg1 Ti2 Si4 O12"
_cell_length_a 6.63563542
_cell_length_b 6.63563498
_cell_length_c 5.3560216
_cell_angle_alpha 74.90893322
_cell_angle_beta 105.09106296
_cell_angle_gamma 97.10995471000001
_space... | data_image0
_chemical_formula_structural MgTi2Si4O12Bh
_chemical_formula_sum "Mg1 Ti2 Si4 O12 Bh1"
_cell_length_a 6.63563542
_cell_length_b 6.63563498
_cell_length_c 5.3560216
_cell_angle_alpha 74.90893322
_cell_angle_beta 105.09106296
_cell_angle_gamma 97.10995471000001
... |
AddAtomAction | 2eb1be75-fa4b-4737-a5ad-3d83aaf78ad9 | mp-27741 | Add one Bh atom at the Cartesian coordinate [6.583 2.505 5.232] to the cif file. | data_image0
_chemical_formula_structural Te4Au4I4
_chemical_formula_sum "Te4 Au4 I4"
_cell_length_a 7.30427224
_cell_length_b 7.646308469999999
_cell_length_c 7.82800078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.89488352
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Te4Au4I4Bh
_chemical_formula_sum "Te4 Au4 I4 Bh1"
_cell_length_a 7.30427224
_cell_length_b 7.646308469999999
_cell_length_c 7.82800078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.89488352
_space_group_name_H-... |
AddAtomAction | 958e9932-4fbb-4421-95cf-c65e158df672 | mp-600038 | Add one N atom at the Cartesian coordinate [9.875 0.229 0.407] to the cif file. | data_image0
_chemical_formula_structural Si10O20
_chemical_formula_sum "Si10 O20"
_cell_length_a 13.81934545
_cell_length_b 6.91058365
_cell_length_c 6.41899888
_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 Si10O20N
_chemical_formula_sum "Si10 O20 N1"
_cell_length_a 13.81934545
_cell_length_b 6.91058365
_cell_length_c 6.41899888
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
AddAtomAction | b9079e97-8822-4c02-869e-eb45d1aa2917 | mp-28179 | Add one Pu atom at the Cartesian coordinate [ 6.584 4.733 10.867] to the cif file. | data_image0
_chemical_formula_structural Na4Ta4Cl24
_chemical_formula_sum "Na4 Ta4 Cl24"
_cell_length_a 6.90728656
_cell_length_b 6.46103936
_cell_length_c 19.22184359
_cell_angle_alpha 88.37225246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na4Ta4Cl24Pu
_chemical_formula_sum "Na4 Ta4 Cl24 Pu1"
_cell_length_a 6.90728656
_cell_length_b 6.46103936
_cell_length_c 19.22184359
_cell_angle_alpha 88.37225246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
AddAtomAction | 7e7f9442-9a50-4e49-80fe-10e89ed87e47 | mp-1227155 | Add one Ac atom at the Cartesian coordinate [3.667 3.063 5.86 ] to the cif file. | data_image0
_chemical_formula_structural Ca4Mg4Zn4
_chemical_formula_sum "Ca4 Mg4 Zn4"
_cell_length_a 5.84729168
_cell_length_b 5.84729168
_cell_length_c 9.666851
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.83482357
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Ca4Mg4Zn4Ac
_chemical_formula_sum "Ca4 Mg4 Zn4 Ac1"
_cell_length_a 5.84729168
_cell_length_b 5.84729168
_cell_length_c 9.666851
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.83482357
_space_group_name_H-M_alt ... |
AddAtomAction | b3d6532c-30a7-41d6-b584-30fb0e17c712 | mp-1190956 | Add one Ho atom at the Cartesian coordinate [5.172 3.429 0.622] to the cif file. | data_image0
_chemical_formula_structural K4H4C4O12
_chemical_formula_sum "K4 H4 C4 O12"
_cell_length_a 5.58946929
_cell_length_b 5.58946929
_cell_length_c 11.04977441
_cell_angle_alpha 75.80331787
_cell_angle_beta 75.80331787
_cell_angle_gamma 72.81330546
_space_group_nam... | data_image0
_chemical_formula_structural K4H4C4O12Ho
_chemical_formula_sum "K4 H4 C4 O12 Ho1"
_cell_length_a 5.58946929
_cell_length_b 5.58946929
_cell_length_c 11.04977441
_cell_angle_alpha 75.80331787
_cell_angle_beta 75.80331787
_cell_angle_gamma 72.81330546
_space_gro... |
AddAtomAction | 54ba05d8-ad77-4a22-b5ce-d9dc3b5670ed | mp-1227253 | Add one Li atom at the Cartesian coordinate [-1.545 1.735 6.46 ] to the cif file. | data_image0
_chemical_formula_structural CaU3Ti8O24
_chemical_formula_sum "Ca1 U3 Ti8 O24"
_cell_length_a 7.50474
_cell_length_b 7.85782394
_cell_length_c 8.45750307
_cell_angle_alpha 98.93237861
_cell_angle_beta 111.53004347
_cell_angle_gamma 94.83442283
_space_group_nam... | data_image0
_chemical_formula_structural CaU3Ti8O24Li
_chemical_formula_sum "Ca1 U3 Ti8 O24 Li1"
_cell_length_a 7.50474
_cell_length_b 7.85782394
_cell_length_c 8.45750307
_cell_angle_alpha 98.93237861
_cell_angle_beta 111.53004347
_cell_angle_gamma 94.83442283
_space_gro... |
AddAtomAction | 08d88614-d5bb-4492-b581-5ed97b80531a | mp-1036209 | Add one Cl atom at the Cartesian coordinate [7.712 4.785 2.171] to the cif file. | data_image0
_chemical_formula_structural Mg14TiMnO16
_chemical_formula_sum "Mg14 Ti1 Mn1 O16"
_cell_length_a 8.608746
_cell_length_b 8.608746
_cell_length_c 4.274209
_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 Mg14TiMnO16Cl
_chemical_formula_sum "Mg14 Ti1 Mn1 O16 Cl1"
_cell_length_a 8.608746
_cell_length_b 8.608746
_cell_length_c 4.274209
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
AddAtomAction | cea51dd7-f448-4698-9692-f33059950f2e | mp-1076382 | Add one Zn atom at the Cartesian coordinate [5.602 1.181 3.716] to the cif file. | data_image0
_chemical_formula_structural La7SmFe8O24
_chemical_formula_sum "La7 Sm1 Fe8 O24"
_cell_length_a 7.902464
_cell_length_b 7.902464
_cell_length_c 7.902464
_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 La7SmFe8O24Zn
_chemical_formula_sum "La7 Sm1 Fe8 O24 Zn1"
_cell_length_a 7.902464
_cell_length_b 7.902464
_cell_length_c 7.902464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
AddAtomAction | c4124be5-e05b-4ed5-b2df-0655b0c8bf63 | mp-775903 | Add one Ru atom at the Cartesian coordinate [2.02 1.088 6.165] to the cif file. | data_image0
_chemical_formula_structural Li8Mn4P8O28
_chemical_formula_sum "Li8 Mn4 P8 O28"
_cell_length_a 7.11528203
_cell_length_b 8.66272234
_cell_length_c 10.21943547
_cell_angle_alpha 92.88116626
_cell_angle_beta 108.95972731999998
_cell_angle_gamma 95.0002604
_space... | data_image0
_chemical_formula_structural Li8Mn4P8O28Ru
_chemical_formula_sum "Li8 Mn4 P8 O28 Ru1"
_cell_length_a 7.11528203
_cell_length_b 8.66272234
_cell_length_c 10.21943547
_cell_angle_alpha 92.88116626
_cell_angle_beta 108.95972731999998
_cell_angle_gamma 95.0002604
... |
AddAtomAction | 5202edc2-5c1c-4c98-ac10-a1843c63accc | mp-754739 | Add one He atom at the Cartesian coordinate [4.175 0.297 6.573] to the cif file. | data_image0
_chemical_formula_structural Ca2Be6O8
_chemical_formula_sum "Ca2 Be6 O8"
_cell_length_a 4.57656117
_cell_length_b 4.57656117
_cell_length_c 8.786886
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998806
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ca2Be6O8He
_chemical_formula_sum "Ca2 Be6 O8 He1"
_cell_length_a 4.57656117
_cell_length_b 4.57656117
_cell_length_c 8.786886
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998806
_space_group_name_H-M_alt ... |
AddAtomAction | 2d6b707f-8be3-46b8-9e26-5b574552a10b | mp-560553 | Add one Tm atom at the Cartesian coordinate [4.002 0.647 5.657] to the cif file. | data_image0
_chemical_formula_structural Ir4F24
_chemical_formula_sum "Ir4 F24"
_cell_length_a 4.92921834
_cell_length_b 8.50097651
_cell_length_c 9.30116834
_cell_angle_alpha 90.0
_cell_angle_beta 90.00008776
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Ir4F24Tm
_chemical_formula_sum "Ir4 F24 Tm1"
_cell_length_a 4.92921834
_cell_length_b 8.50097651
_cell_length_c 9.30116834
_cell_angle_alpha 90.0
_cell_angle_beta 90.00008776
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
AddAtomAction | 1f751d93-501a-4b16-9aa6-9796c86af5e1 | mp-1105157 | Add one Ti atom at the Cartesian coordinate [2.065 4.158 7.362] to the cif file. | data_image0
_chemical_formula_structural Rb2Nd2Mn2W2O12
_chemical_formula_sum "Rb2 Nd2 Mn2 W2 O12"
_cell_length_a 5.56756288
_cell_length_b 5.674125
_cell_length_c 9.62267506
_cell_angle_alpha 90.0
_cell_angle_beta 92.0812184
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Rb2Nd2Mn2W2O12Ti
_chemical_formula_sum "Rb2 Nd2 Mn2 W2 O12 Ti1"
_cell_length_a 5.56756288
_cell_length_b 5.674125
_cell_length_c 9.62267506
_cell_angle_alpha 90.0
_cell_angle_beta 92.0812184
_cell_angle_gamma 90.0
_space_group_name... |
AddAtomAction | 0ec95bd4-6ac2-4137-b680-9499f71cf853 | mp-18973 | Add one At atom at the Cartesian coordinate [3.684 6.829 3.863] to the cif file. | data_image0
_chemical_formula_structural Co4Se8O20
_chemical_formula_sum "Co4 Se8 O20"
_cell_length_a 6.03250795
_cell_length_b 6.854543640000001
_cell_length_c 10.32688205
_cell_angle_alpha 90.00041396
_cell_angle_beta 89.99939194000001
_cell_angle_gamma 89.99181073
_spa... | data_image0
_chemical_formula_structural Co4Se8O20At
_chemical_formula_sum "Co4 Se8 O20 At1"
_cell_length_a 6.03250795
_cell_length_b 6.854543640000001
_cell_length_c 10.32688205
_cell_angle_alpha 90.00041396
_cell_angle_beta 89.99939194000001
_cell_angle_gamma 89.99181073... |
AddAtomAction | 7fdb3dd2-b4e7-43fa-b44a-f090cffced56 | mp-1245851 | Add one Pr atom at the Cartesian coordinate [5.547 0.204 9.937] to the cif file. | data_image0
_chemical_formula_structural Ca28Cr4N24
_chemical_formula_sum "Ca28 Cr4 N24"
_cell_length_a 11.037586
_cell_length_b 6.251168
_cell_length_c 12.978754
_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 Ca28Cr4N24Pr
_chemical_formula_sum "Ca28 Cr4 N24 Pr1"
_cell_length_a 11.037586
_cell_length_b 6.251168
_cell_length_c 12.978754
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
AddAtomAction | e3d61ee9-f5b5-4a04-8876-d3b7263241da | mp-1205514 | Add one Pa atom at the Cartesian coordinate [2.618 3.158 1.942] to the cif file. | data_image0
_chemical_formula_structural Ba2PuTaO6
_chemical_formula_sum "Ba2 Pu1 Ta1 O6"
_cell_length_a 6.10192281
_cell_length_b 6.10192281
_cell_length_c 6.10192281
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Ba2PuTaO6Pa
_chemical_formula_sum "Ba2 Pu1 Ta1 O6 Pa1"
_cell_length_a 6.10192281
_cell_length_b 6.10192281
_cell_length_c 6.10192281
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999... |
AddAtomAction | 80475c2d-a2c4-4e23-83c3-f5e909d86499 | mp-1073481 | Add one Sr atom at the Cartesian coordinate [6.042 1.791 9.605] to the cif file. | data_image0
_chemical_formula_structural Mg4Si8
_chemical_formula_sum "Mg4 Si8"
_cell_length_a 5.22863097
_cell_length_b 5.22863097
_cell_length_c 12.24682311
_cell_angle_alpha 72.82107982000001
_cell_angle_beta 72.82107982000001
_cell_angle_gamma 39.74553267999999
_space... | data_image0
_chemical_formula_structural Mg4Si8Sr
_chemical_formula_sum "Mg4 Si8 Sr1"
_cell_length_a 5.22863097
_cell_length_b 5.22863097
_cell_length_c 12.24682311
_cell_angle_alpha 72.82107982000001
_cell_angle_beta 72.82107982000001
_cell_angle_gamma 39.74553267999999
... |
AddAtomAction | b76b7a7d-a6da-4b2b-8499-df1b9f1bc54c | mp-1192994 | Add one Mc atom at the Cartesian coordinate [7.902 3.503 3.11 ] to the cif file. | data_image0
_chemical_formula_structural Ce6Al2V2S14
_chemical_formula_sum "Ce6 Al2 V2 S14"
_cell_length_a 10.01783423
_cell_length_b 10.01783423
_cell_length_c 5.998724
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000151999997
_space_group_name_H-... | data_image0
_chemical_formula_structural Ce6Al2V2S14Mc
_chemical_formula_sum "Ce6 Al2 V2 S14 Mc1"
_cell_length_a 10.01783423
_cell_length_b 10.01783423
_cell_length_c 5.998724
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000151999997
_space_group_n... |
AddAtomAction | 31fa4ff2-799d-4fb5-9e2d-8b3d9bd4b97d | mp-28507 | Add one V atom at the Cartesian coordinate [5.733 5.745 2.576] to the cif file. | data_image0
_chemical_formula_structural La16Nb14S44
_chemical_formula_sum "La16 Nb14 S44"
_cell_length_a 16.39108437
_cell_length_b 16.39108437
_cell_length_c 5.8438245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.68789976
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La16Nb14S44V
_chemical_formula_sum "La16 Nb14 S44 V1"
_cell_length_a 16.39108437
_cell_length_b 16.39108437
_cell_length_c 5.8438245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.68789976
_space_group_name_H-M_a... |
AddAtomAction | 09ec280a-79df-49a6-8778-35e46bd99a21 | mp-1204890 | Add one Mo atom at the Cartesian coordinate [2.63 2.366 5.212] to the cif file. | data_image0
_chemical_formula_structural Zr4N8O36
_chemical_formula_sum "Zr4 N8 O36"
_cell_length_a 8.21936925
_cell_length_b 9.38387715
_cell_length_c 10.37714086
_cell_angle_alpha 98.65103149
_cell_angle_beta 103.14163553
_cell_angle_gamma 85.06322259999999
_space_group... | data_image0
_chemical_formula_structural Zr4N8O36Mo
_chemical_formula_sum "Zr4 N8 O36 Mo1"
_cell_length_a 8.21936925
_cell_length_b 9.38387715
_cell_length_c 10.37714086
_cell_angle_alpha 98.65103149
_cell_angle_beta 103.14163553
_cell_angle_gamma 85.06322259999999
_space... |
AddAtomAction | b5b99040-b9e5-42c5-a53c-d7893bfb6d95 | mp-1203353 | Add one Mc atom at the Cartesian coordinate [8.229 5.82 8.604] to the cif file. | data_image0
_chemical_formula_structural Sr20Pb16
_chemical_formula_sum "Sr20 Pb16"
_cell_length_a 8.615907
_cell_length_b 9.02643
_cell_length_c 17.707516
_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 Sr20Pb16Mc
_chemical_formula_sum "Sr20 Pb16 Mc1"
_cell_length_a 8.615907
_cell_length_b 9.02643
_cell_length_c 17.707516
_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 | 06e72fa5-a1ed-4959-b5df-1638e15c5344 | mp-1204185 | Add one Ni atom at the Cartesian coordinate [13.813 6.295 3.963] to the cif file. | data_image0
_chemical_formula_structural Ag12Te8W6O40
_chemical_formula_sum "Ag12 Te8 W6 O40"
_cell_length_a 15.52412535
_cell_length_b 15.52412535
_cell_length_c 9.71240627
_cell_angle_alpha 88.40717391
_cell_angle_beta 88.40717391
_cell_angle_gamma 25.386584279999997
_s... | data_image0
_chemical_formula_structural Ag12Te8W6O40Ni
_chemical_formula_sum "Ag12 Te8 W6 O40 Ni1"
_cell_length_a 15.52412535
_cell_length_b 15.52412535
_cell_length_c 9.71240627
_cell_angle_alpha 88.40717391
_cell_angle_beta 88.40717391
_cell_angle_gamma 25.3865842799999... |
AddAtomAction | c490e023-9e7d-4059-97d7-ca406427fdd8 | mp-1235162 | Add one Og atom at the Cartesian coordinate [6.543 0.786 3.185] to the cif file. | data_image0
_chemical_formula_structural Ba2LiMn2O6
_chemical_formula_sum "Ba2 Li1 Mn2 O6"
_cell_length_a 6.24510184
_cell_length_b 5.64433747
_cell_length_c 5.25809243
_cell_angle_alpha 90.14061303000001
_cell_angle_beta 74.55834042
_cell_angle_gamma 116.96833983000002
_... | data_image0
_chemical_formula_structural Ba2LiMn2O6Og
_chemical_formula_sum "Ba2 Li1 Mn2 O6 Og1"
_cell_length_a 6.24510184
_cell_length_b 5.64433747
_cell_length_c 5.25809243
_cell_angle_alpha 90.14061303000001
_cell_angle_beta 74.55834042
_cell_angle_gamma 116.96833983000... |
AddAtomAction | 0da10d61-bacf-4f7d-a15d-72f2b6478ea3 | mp-1197546 | Add one Xe atom at the Cartesian coordinate [1.332 5.802 1.959] to the cif file. | data_image0
_chemical_formula_structural Ca4Cu4As4O20
_chemical_formula_sum "Ca4 Cu4 As4 O20"
_cell_length_a 5.693418
_cell_length_b 7.548846
_cell_length_c 9.686539
_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 Ca4Cu4As4O20Xe
_chemical_formula_sum "Ca4 Cu4 As4 O20 Xe1"
_cell_length_a 5.693418
_cell_length_b 7.548846
_cell_length_c 9.686539
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
AddAtomAction | b275b6ae-53a3-4e44-bdb7-35b7680db37e | mp-886625 | Add one Mc atom at the Cartesian coordinate [0.545 2.045 3.278] to the cif file. | data_image0
_chemical_formula_structural Li5Ni5O10
_chemical_formula_sum "Li5 Ni5 O10"
_cell_length_a 5.044044
_cell_length_b 5.0622307
_cell_length_c 7.55069839
_cell_angle_alpha 107.22642697
_cell_angle_beta 104.00352496
_cell_angle_gamma 100.02903078
_space_group_name_... | data_image0
_chemical_formula_structural Li5Ni5O10Mc
_chemical_formula_sum "Li5 Ni5 O10 Mc1"
_cell_length_a 5.044044
_cell_length_b 5.0622307
_cell_length_c 7.55069839
_cell_angle_alpha 107.22642697
_cell_angle_beta 104.00352496
_cell_angle_gamma 100.02903078
_space_group... |
AddAtomAction | 9c17a736-c261-4ff0-939c-087ef90df454 | mp-672679 | Add one Lu atom at the Cartesian coordinate [11.266 3.438 5.927] to the cif file. | data_image0
_chemical_formula_structural Y16In4Ir4
_chemical_formula_sum "Y16 In4 Ir4"
_cell_length_a 9.68633742
_cell_length_b 9.68635535
_cell_length_c 9.68635539
_cell_angle_alpha 59.999905070000004
_cell_angle_beta 59.99984649
_cell_angle_gamma 59.999844679999995
_spa... | data_image0
_chemical_formula_structural Y16In4Ir4Lu
_chemical_formula_sum "Y16 In4 Ir4 Lu1"
_cell_length_a 9.68633742
_cell_length_b 9.68635535
_cell_length_c 9.68635539
_cell_angle_alpha 59.999905070000004
_cell_angle_beta 59.99984649
_cell_angle_gamma 59.999844679999995... |
AddAtomAction | d7d19526-47ed-409b-a6b5-9d5fe6a2aa4a | mp-1209251 | Add one Na atom at the Cartesian coordinate [2.631 1.902 1.894] to the cif file. | data_image0
_chemical_formula_structural RbAlSe2O8
_chemical_formula_sum "Rb1 Al1 Se2 O8"
_cell_length_a 5.09350549
_cell_length_b 5.09350549
_cell_length_c 8.914435
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999336
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural RbAlSe2O8Na
_chemical_formula_sum "Rb1 Al1 Se2 O8 Na1"
_cell_length_a 5.09350549
_cell_length_b 5.09350549
_cell_length_c 8.914435
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999336
_space_group_name_H-M_al... |
AddAtomAction | ae9d1d24-2b88-4b1e-91c6-a20517d658d7 | mp-14794 | Add one Pu atom at the Cartesian coordinate [1.069 0.816 4.907] to the cif file. | data_image0
_chemical_formula_structural K12Co2S8
_chemical_formula_sum "K12 Co2 S8"
_cell_length_a 9.80833811
_cell_length_b 9.80833811
_cell_length_c 7.717331
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000071999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K12Co2S8Pu
_chemical_formula_sum "K12 Co2 S8 Pu1"
_cell_length_a 9.80833811
_cell_length_b 9.80833811
_cell_length_c 7.717331
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000071999999
_space_group_name_H-M_a... |
AddAtomAction | 3ca4e90d-bbea-416d-9a46-b64a630af110 | mp-1245942 | Add one Ho atom at the Cartesian coordinate [1.401 1.857 0.053] to the cif file. | data_image0
_chemical_formula_structural Mn4Pb2N4
_chemical_formula_sum "Mn4 Pb2 N4"
_cell_length_a 6.18375855
_cell_length_b 6.19351817
_cell_length_c 8.73133051
_cell_angle_alpha 89.99999556
_cell_angle_beta 45.09050543000001
_cell_angle_gamma 59.94776901
_space_group_n... | data_image0
_chemical_formula_structural Mn4Pb2N4Ho
_chemical_formula_sum "Mn4 Pb2 N4 Ho1"
_cell_length_a 6.18375855
_cell_length_b 6.19351817
_cell_length_c 8.73133051
_cell_angle_alpha 89.99999556
_cell_angle_beta 45.09050543000001
_cell_angle_gamma 59.94776901
_space_g... |
AddAtomAction | c93b72f9-9852-473a-b7e1-f700439d8d84 | mp-1213955 | Add one Ts atom at the Cartesian coordinate [3.171 3.229 0.037] to the cif file. | data_image0
_chemical_formula_structural Cd4N4O20
_chemical_formula_sum "Cd4 N4 O20"
_cell_length_a 3.794464
_cell_length_b 7.601727
_cell_length_c 14.405706
_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 Cd4N4O20Ts
_chemical_formula_sum "Cd4 N4 O20 Ts1"
_cell_length_a 3.794464
_cell_length_b 7.601727
_cell_length_c 14.405706
_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 | c86018a9-ae41-47f6-b5d2-118ae0fc54aa | mp-29778 | Add one Np atom at the Cartesian coordinate [-1.08 3.357 2.133] to the cif file. | data_image0
_chemical_formula_structural Nd8Ge14
_chemical_formula_sum "Nd8 Ge14"
_cell_length_a 6.03140039
_cell_length_b 7.60319809
_cell_length_c 12.06374994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.36803510000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nd8Ge14Np
_chemical_formula_sum "Nd8 Ge14 Np1"
_cell_length_a 6.03140039
_cell_length_b 7.60319809
_cell_length_c 12.06374994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.36803510000001
_space_group_name_H-M_a... |
AddAtomAction | 9498a394-a036-4166-ad75-83c7cbcaca84 | mp-16811 | Add one Rf atom at the Cartesian coordinate [6.234 7.291 4.941] to the cif file. | data_image0
_chemical_formula_structural Ho8Mo4O24
_chemical_formula_sum "Ho8 Mo4 O24"
_cell_length_a 9.82081783
_cell_length_b 9.82081783
_cell_length_c 5.31611533
_cell_angle_alpha 74.81329250999998
_cell_angle_beta 74.81329250999998
_cell_angle_gamma 67.88044095
_space... | data_image0
_chemical_formula_structural Ho8Mo4O24Rf
_chemical_formula_sum "Ho8 Mo4 O24 Rf1"
_cell_length_a 9.82081783
_cell_length_b 9.82081783
_cell_length_c 5.31611533
_cell_angle_alpha 74.81329250999998
_cell_angle_beta 74.81329250999998
_cell_angle_gamma 67.88044095
... |
AddAtomAction | 8e181a26-2b67-42e7-8e53-27c518988a7e | mp-1373426 | Add one V atom at the Cartesian coordinate [1.625 1.667 5.018] to the cif file. | data_image0
_chemical_formula_structural Ca4Ta2V2O12
_chemical_formula_sum "Ca4 Ta2 V2 O12"
_cell_length_a 7.75294
_cell_length_b 5.492636
_cell_length_c 5.676088649999999
_cell_angle_alpha 89.86543361
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Ca4Ta2V2O12V
_chemical_formula_sum "Ca4 Ta2 V3 O12"
_cell_length_a 7.75294
_cell_length_b 5.492636
_cell_length_c 5.676088649999999
_cell_angle_alpha 89.86543361
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
AddAtomAction | c8d3d21b-ba11-401b-8ec0-b5b1eba302a5 | mp-777558 | Add one Lu atom at the Cartesian coordinate [ 2.978 1.401 18.41 ] to the cif file. | data_image0
_chemical_formula_structural Li32Ti3Cr13O48
_chemical_formula_sum "Li32 Ti3 Cr13 O48"
_cell_length_a 5.054473
_cell_length_b 8.74335811
_cell_length_c 19.54708124
_cell_angle_alpha 97.99953062
_cell_angle_beta 94.93879759
_cell_angle_gamma 89.58071161
_space_g... | data_image0
_chemical_formula_structural Li32Ti3Cr13O48Lu
_chemical_formula_sum "Li32 Ti3 Cr13 O48 Lu1"
_cell_length_a 5.054473
_cell_length_b 8.74335811
_cell_length_c 19.54708124
_cell_angle_alpha 97.99953062
_cell_angle_beta 94.93879759
_cell_angle_gamma 89.58071161
_s... |
AddAtomAction | 53b67286-d1db-47ab-8cb0-f99e0fbd2fe8 | mp-556173 | Add one Cs atom at the Cartesian coordinate [-0.727 4.543 2.923] to the cif file. | data_image0
_chemical_formula_structural ZnAs2C6S12N12O6F12
_chemical_formula_sum "Zn1 As2 C6 S12 N12 O6 F12"
_cell_length_a 12.13840467
_cell_length_b 12.138404669999998
_cell_length_c 6.862646
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000365999... | data_image0
_chemical_formula_structural ZnAs2C6S12N12O6F12Cs
_chemical_formula_sum "Zn1 As2 C6 S12 N12 O6 F12 Cs1"
_cell_length_a 12.13840467
_cell_length_b 12.138404669999998
_cell_length_c 6.862646
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000... |
AddAtomAction | 4e7e7df9-168d-4dda-a6ef-65495bfa80fd | mp-28263 | Add one Tb atom at the Cartesian coordinate [0.117 0.887 1.834] to the cif file. | data_image0
_chemical_formula_structural K4H12O8
_chemical_formula_sum "K4 H12 O8"
_cell_length_a 5.69184007
_cell_length_b 5.7809945
_cell_length_c 7.87531014
_cell_angle_alpha 70.21423391
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural K4H12O8Tb
_chemical_formula_sum "K4 H12 O8 Tb1"
_cell_length_a 5.69184007
_cell_length_b 5.7809945
_cell_length_c 7.87531014
_cell_angle_alpha 70.21423391
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
AddAtomAction | b10e148d-384f-412f-afed-d449e6ed12e2 | mp-1217519 | Add one Cf atom at the Cartesian coordinate [1.069 0.431 3.88 ] to the cif file. | data_image0
_chemical_formula_structural Th2V4Pb2O16
_chemical_formula_sum "Th2 V4 Pb2 O16"
_cell_length_a 6.80264855
_cell_length_b 7.00778456
_cell_length_c 7.31435521
_cell_angle_alpha 88.92328545000001
_cell_angle_beta 87.87128071
_cell_angle_gamma 75.82591832
_space_... | data_image0
_chemical_formula_structural Th2V4Pb2O16Cf
_chemical_formula_sum "Th2 V4 Pb2 O16 Cf1"
_cell_length_a 6.80264855
_cell_length_b 7.00778456
_cell_length_c 7.31435521
_cell_angle_alpha 88.92328545000001
_cell_angle_beta 87.87128071
_cell_angle_gamma 75.82591832
_... |
AddAtomAction | 100df546-e7be-496f-aeb9-4cd82d4c2c0a | mp-1106213 | Add one Er atom at the Cartesian coordinate [4.669 9.127 6.132] to the cif file. | data_image0
_chemical_formula_structural Nd4Mg2Ir2O12
_chemical_formula_sum "Nd4 Mg2 Ir2 O12"
_cell_length_a 5.730526
_cell_length_b 5.522466
_cell_length_c 9.62707603
_cell_angle_alpha 54.87808868
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nd4Mg2Ir2O12Er
_chemical_formula_sum "Nd4 Mg2 Ir2 O12 Er1"
_cell_length_a 5.730526
_cell_length_b 5.522466
_cell_length_c 9.62707603
_cell_angle_alpha 54.87808868
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
AddAtomAction | 4816ba88-77cd-4a20-bdb0-8bb8876e3b6b | mp-1247447 | Add one Mc atom at the Cartesian coordinate [10.656 7.618 4.905] to the cif file. | data_image0
_chemical_formula_structural Mg2Sc3MnS8
_chemical_formula_sum "Mg2 Sc3 Mn1 S8"
_cell_length_a 7.52845767
_cell_length_b 7.47838708
_cell_length_c 7.53267421
_cell_angle_alpha 59.84947479
_cell_angle_beta 59.87627726
_cell_angle_gamma 59.906511939999994
_space_... | data_image0
_chemical_formula_structural Mg2Sc3MnS8Mc
_chemical_formula_sum "Mg2 Sc3 Mn1 S8 Mc1"
_cell_length_a 7.52845767
_cell_length_b 7.47838708
_cell_length_c 7.53267421
_cell_angle_alpha 59.84947479
_cell_angle_beta 59.87627726
_cell_angle_gamma 59.906511939999994
_... |
AddAtomAction | 0191b9fa-ba91-4033-8abf-ecaea9cc5597 | mp-1210947 | Add one Rb atom at the Cartesian coordinate [8.949 4.397 5.254] to the cif file. | data_image0
_chemical_formula_structural Lu2Ag2W4O16
_chemical_formula_sum "Lu2 Ag2 W4 O16"
_cell_length_a 7.30273406
_cell_length_b 7.302734059999999
_cell_length_c 7.27179264
_cell_angle_alpha 66.0465554
_cell_angle_beta 66.0465554
_cell_angle_gamma 94.31513562
_space_g... | data_image0
_chemical_formula_structural Lu2Ag2W4O16Rb
_chemical_formula_sum "Lu2 Ag2 W4 O16 Rb1"
_cell_length_a 7.30273406
_cell_length_b 7.302734059999999
_cell_length_c 7.27179264
_cell_angle_alpha 66.0465554
_cell_angle_beta 66.0465554
_cell_angle_gamma 94.31513562
_s... |
AddAtomAction | 112ca43d-5542-4c03-91b9-20af00f81605 | mp-1205853 | Add one Cf atom at the Cartesian coordinate [6.016 1.551 2.724] to the cif file. | data_image0
_chemical_formula_structural Nd4In2Au4
_chemical_formula_sum "Nd4 In2 Au4"
_cell_length_a 8.04285031
_cell_length_b 8.04285031
_cell_length_c 3.92047908
_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 Nd4In2Au4Cf
_chemical_formula_sum "Nd4 In2 Au4 Cf1"
_cell_length_a 8.04285031
_cell_length_b 8.04285031
_cell_length_c 3.92047908
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
AddAtomAction | 41e575ef-a820-4d4a-a4ec-4e7d065776dc | mp-1235023 | Add one Dy atom at the Cartesian coordinate [6.947 0.925 2.821] to the cif file. | data_image0
_chemical_formula_structural LiZn2Fe4O8
_chemical_formula_sum "Li1 Zn2 Fe4 O8"
_cell_length_a 6.1557658
_cell_length_b 6.155765599999999
_cell_length_c 5.91697548
_cell_angle_alpha 61.27510906
_cell_angle_beta 61.27511007999999
_cell_angle_gamma 57.266703329999... | data_image0
_chemical_formula_structural LiZn2Fe4O8Dy
_chemical_formula_sum "Li1 Zn2 Fe4 O8 Dy1"
_cell_length_a 6.1557658
_cell_length_b 6.155765599999999
_cell_length_c 5.91697548
_cell_angle_alpha 61.27510906
_cell_angle_beta 61.27511007999999
_cell_angle_gamma 57.266703... |
AddAtomAction | 7a3d2f88-d899-49eb-aa5c-52928bd95bfd | mp-1228731 | Add one Er atom at the Cartesian coordinate [2.398 5.023 5.039] to the cif file. | data_image0
_chemical_formula_structural Ba2Li3La3Mo8O32
_chemical_formula_sum "Ba2 Li3 La3 Mo8 O32"
_cell_length_a 5.410768
_cell_length_b 7.12630652
_cell_length_c 19.5086422
_cell_angle_alpha 89.28252639999998
_cell_angle_beta 89.65150307
_cell_angle_gamma 68.11374492
... | data_image0
_chemical_formula_structural Ba2Li3La3Mo8O32Er
_chemical_formula_sum "Ba2 Li3 La3 Mo8 O32 Er1"
_cell_length_a 5.410768
_cell_length_b 7.12630652
_cell_length_c 19.5086422
_cell_angle_alpha 89.28252639999998
_cell_angle_beta 89.65150307
_cell_angle_gamma 68.1137... |
AddAtomAction | c46f32bf-7e5f-49a2-a26e-725fcb24a492 | mp-2241183 | Add one Te atom at the Cartesian coordinate [2.796 1.812 2.511] to the cif file. | data_image0
_chemical_formula_structural MgNb3SiO10
_chemical_formula_sum "Mg1 Nb3 Si1 O10"
_cell_length_a 5.43041626
_cell_length_b 5.602910460000001
_cell_length_c 7.38994443
_cell_angle_alpha 107.93183047
_cell_angle_beta 110.36968069
_cell_angle_gamma 89.56181386000002... | data_image0
_chemical_formula_structural MgNb3SiO10Te
_chemical_formula_sum "Mg1 Nb3 Si1 O10 Te1"
_cell_length_a 5.43041626
_cell_length_b 5.602910460000001
_cell_length_c 7.38994443
_cell_angle_alpha 107.93183047
_cell_angle_beta 110.36968069
_cell_angle_gamma 89.56181386... |
AddAtomAction | 811e2f79-0ff2-41b4-80c7-30da0198c93f | mp-1522797 | Add one Ar atom at the Cartesian coordinate [7.426 4.279 0.184] to the cif file. | data_image0
_chemical_formula_structural BaTiNbGaO6
_chemical_formula_sum "Ba1 Ti1 Nb1 Ga1 O6"
_cell_length_a 5.71715084
_cell_length_b 5.71715084
_cell_length_c 5.71715084
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00000000... | data_image0
_chemical_formula_structural BaTiNbGaO6Ar
_chemical_formula_sum "Ba1 Ti1 Nb1 Ga1 O6 Ar1"
_cell_length_a 5.71715084
_cell_length_b 5.71715084
_cell_length_c 5.71715084
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00... |
AddAtomAction | b13eaa14-8f06-49f2-aaeb-6c944d109fd3 | mp-1245775 | Add one Gd atom at the Cartesian coordinate [5.521 2.067 8.588] to the cif file. | data_image0
_chemical_formula_structural Sr12Ta8N16
_chemical_formula_sum "Sr12 Ta8 N16"
_cell_length_a 6.158844
_cell_length_b 10.799599
_cell_length_c 10.015613
_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 Sr12Ta8N16Gd
_chemical_formula_sum "Sr12 Ta8 N16 Gd1"
_cell_length_a 6.158844
_cell_length_b 10.799599
_cell_length_c 10.015613
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
AddAtomAction | c22e66b1-7b5d-4f95-99bb-d38d43ab8c92 | mp-2220668 | Add one C atom at the Cartesian coordinate [2.882 9.526 8.97 ] to the cif file. | data_image0
_chemical_formula_structural Sr2MgTi6N2O11
_chemical_formula_sum "Sr2 Mg1 Ti6 N2 O11"
_cell_length_a 3.80235431
_cell_length_b 7.998764460000001
_cell_length_c 10.69973714
_cell_angle_alpha 72.97223192
_cell_angle_beta 89.99766364
_cell_angle_gamma 76.25787147
... | data_image0
_chemical_formula_structural Sr2MgTi6N2O11C
_chemical_formula_sum "Sr2 Mg1 Ti6 N2 O11 C1"
_cell_length_a 3.80235431
_cell_length_b 7.998764460000001
_cell_length_c 10.69973714
_cell_angle_alpha 72.97223192
_cell_angle_beta 89.99766364
_cell_angle_gamma 76.25787... |
AddAtomAction | 29a28a20-fe06-4afa-be31-1b6e75eadb7b | mp-758878 | Add one C atom at the Cartesian coordinate [3.49 1.824 8.085] 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 Li3Fe8O3F13C
_chemical_formula_sum "Li3 Fe8 O3 F13 C1"
_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 59.37014012999... |
AddAtomAction | 790e7875-0e9f-4c4f-bf00-e26030c0d990 | mp-1175561 | Add one P atom at the Cartesian coordinate [-1.076 1.669 8.618] to the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.101485
_cell_length_b 5.872855
_cell_length_c 10.069959919999999
_cell_angle_alpha 105.5057263
_cell_angle_beta 100.71809932000001
_cell_angle_gamma 90.36779529
... | data_image0
_chemical_formula_structural Li9Mn2Co5O16P
_chemical_formula_sum "Li9 Mn2 Co5 O16 P1"
_cell_length_a 5.101485
_cell_length_b 5.872855
_cell_length_c 10.069959919999999
_cell_angle_alpha 105.5057263
_cell_angle_beta 100.71809932000001
_cell_angle_gamma 90.367795... |
AddAtomAction | 8deee3c2-2767-46a8-b001-244913e35068 | mp-1746 | Add one Po atom at the Cartesian coordinate [2.939 2.932 1.457] to the cif file. | data_image0
_chemical_formula_structural Mg4F8
_chemical_formula_sum "Mg4 F8"
_cell_length_a 5.012339
_cell_length_b 5.012339
_cell_length_c 5.012339
_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_num... | data_image0
_chemical_formula_structural Mg4F8Po
_chemical_formula_sum "Mg4 F8 Po1"
_cell_length_a 5.012339
_cell_length_b 5.012339
_cell_length_c 5.012339
_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_... |
AddAtomAction | 534d68bf-1f82-44df-a84e-6c042cd6d29b | mp-1223525 | Add one Tm atom at the Cartesian coordinate [-7.784 -2.172 2.608] to the cif file. | data_image0
_chemical_formula_structural KLa7Cu4O16
_chemical_formula_sum "K1 La7 Cu4 O16"
_cell_length_a 13.65327428
_cell_length_b 13.65327428
_cell_length_c 13.65327428
_cell_angle_alpha 157.12581394000003
_cell_angle_beta 157.12581394000003
_cell_angle_gamma 32.5713970... | data_image0
_chemical_formula_structural KLa7Cu4O16Tm
_chemical_formula_sum "K1 La7 Cu4 O16 Tm1"
_cell_length_a 13.65327428
_cell_length_b 13.65327428
_cell_length_c 13.65327428
_cell_angle_alpha 157.12581394000003
_cell_angle_beta 157.12581394000003
_cell_angle_gamma 32.5... |
AddAtomAction | 05a7f3d4-4e4a-4cc9-be35-10c2bd05895c | mp-1110869 | Add one Ca atom at the Cartesian coordinate [4.21 0.782 0.834] to the cif file. | data_image0
_chemical_formula_structural K2LiBiCl6
_chemical_formula_sum "K2 Li1 Bi1 Cl6"
_cell_length_a 7.45983371
_cell_length_b 7.45983371
_cell_length_c 7.45983371
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural K2LiBiCl6Ca
_chemical_formula_sum "K2 Li1 Bi1 Cl6 Ca1"
_cell_length_a 7.45983371
_cell_length_b 7.45983371
_cell_length_c 7.45983371
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... |
AddAtomAction | 89c5cb02-eb97-4dd7-913d-fe3f78e1399c | mp-541646 | Add one Pm atom at the Cartesian coordinate [ 5.756 0.573 17.375] to the cif file. | data_image0
_chemical_formula_structural Cs6Ru4Cl18
_chemical_formula_sum "Cs6 Ru4 Cl18"
_cell_length_a 7.32403622
_cell_length_b 7.32402811
_cell_length_c 17.73420393
_cell_angle_alpha 89.99982571
_cell_angle_beta 90.00021655999998
_cell_angle_gamma 120.00020056
_space_g... | data_image0
_chemical_formula_structural Cs6Ru4Cl18Pm
_chemical_formula_sum "Cs6 Ru4 Cl18 Pm1"
_cell_length_a 7.32403622
_cell_length_b 7.32402811
_cell_length_c 17.73420393
_cell_angle_alpha 89.99982571
_cell_angle_beta 90.00021655999998
_cell_angle_gamma 120.00020056
_s... |
AddAtomAction | a9899446-903a-4db3-bb6f-678a1cd74957 | mp-1227353 | Add one Kr atom at the Cartesian coordinate [2.898 0.994 3.779] to the cif file. | data_image0
_chemical_formula_structural Ce4Ni2Sn4Pt2
_chemical_formula_sum "Ce4 Ni2 Sn4 Pt2"
_cell_length_a 4.577046
_cell_length_b 7.381462
_cell_length_c 7.916191
_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 Ce4Ni2Sn4Pt2Kr
_chemical_formula_sum "Ce4 Ni2 Sn4 Pt2 Kr1"
_cell_length_a 4.577046
_cell_length_b 7.381462
_cell_length_c 7.916191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
AddAtomAction | cb4cd4c5-8dd4-4a04-9268-475b16afa87a | mp-26157 | Add one I atom at the Cartesian coordinate [0.26 6.728 1.941] to the cif file. | data_image0
_chemical_formula_structural Li4Sb4P16O48
_chemical_formula_sum "Li4 Sb4 P16 O48"
_cell_length_a 9.35226
_cell_length_b 10.356422
_cell_length_c 12.580853009999998
_cell_angle_alpha 55.11360417
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Li4Sb4P16O48I
_chemical_formula_sum "Li4 Sb4 P16 O48 I1"
_cell_length_a 9.35226
_cell_length_b 10.356422
_cell_length_c 12.580853009999998
_cell_angle_alpha 55.11360417
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
AddAtomAction | ec482241-ef24-428e-8043-b9b490d6ded3 | mp-1520897 | Add one Sm atom at the Cartesian coordinate [7.683 4.528 3.258] to the cif file. | data_image0
_chemical_formula_structural Sr2CrBiO6
_chemical_formula_sum "Sr2 Cr1 Bi1 O6"
_cell_length_a 5.78690587
_cell_length_b 5.78690587
_cell_length_c 5.78690587
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Sr2CrBiO6Sm
_chemical_formula_sum "Sr2 Cr1 Bi1 O6 Sm1"
_cell_length_a 5.78690587
_cell_length_b 5.78690587
_cell_length_c 5.78690587
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... |
AddAtomAction | 033b6403-824a-48b5-a458-d73aa404a69c | mp-755481 | Add one Pt atom at the Cartesian coordinate [8.817 5.394 3.55 ] to the cif file. | data_image0
_chemical_formula_structural Ca2Cl4O12
_chemical_formula_sum "Ca2 Cl4 O12"
_cell_length_a 6.71155429
_cell_length_b 6.711554289999999
_cell_length_c 7.68956939
_cell_angle_alpha 58.98193461999998
_cell_angle_beta 58.98193461999998
_cell_angle_gamma 67.75361514
... | data_image0
_chemical_formula_structural Ca2Cl4O12Pt
_chemical_formula_sum "Ca2 Cl4 O12 Pt1"
_cell_length_a 6.71155429
_cell_length_b 6.711554289999999
_cell_length_c 7.68956939
_cell_angle_alpha 58.98193461999998
_cell_angle_beta 58.98193461999998
_cell_angle_gamma 67.753... |
AddAtomAction | ca307ecb-1956-4f9f-af4c-5e0b5a7deb7c | mp-781738 | Add one Fe atom at the Cartesian coordinate [3.987 1.493 3.65 ] to the cif file. | data_image0
_chemical_formula_structural Na12V4B8S2O32
_chemical_formula_sum "Na12 V4 B8 S2 O32"
_cell_length_a 9.93543717
_cell_length_b 9.93543717
_cell_length_c 9.93543717
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... | data_image0
_chemical_formula_structural Na12V4B8S2O32Fe
_chemical_formula_sum "Na12 V4 B8 S2 O32 Fe1"
_cell_length_a 9.93543717
_cell_length_b 9.93543717
_cell_length_c 9.93543717
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.... |
AddAtomAction | d849d54f-638f-48ad-b803-b343dcb5602e | mp-2227841 | Add one Hs atom at the Cartesian coordinate [-0.968 0.914 2.229] to the cif file. | data_image0
_chemical_formula_structural Tm2MgV2O8
_chemical_formula_sum "Tm2 Mg1 V2 O8"
_cell_length_a 6.01689922
_cell_length_b 6.01689898
_cell_length_c 6.16204598
_cell_angle_alpha 106.12743468
_cell_angle_beta 106.12742743000001
_cell_angle_gamma 115.30210931
_space_... | data_image0
_chemical_formula_structural Tm2MgV2O8Hs
_chemical_formula_sum "Tm2 Mg1 V2 O8 Hs1"
_cell_length_a 6.01689922
_cell_length_b 6.01689898
_cell_length_c 6.16204598
_cell_angle_alpha 106.12743468
_cell_angle_beta 106.12742743000001
_cell_angle_gamma 115.30210931
_... |
AddAtomAction | bd2b7c1c-086c-4ac6-b959-ae732ce3819b | mp-1027815 | Add one Ac atom at the Cartesian coordinate [-0.817 3.148 7.821] to the cif file. | data_image0
_chemical_formula_structural KMg14Co
_chemical_formula_sum "K1 Mg14 Co1"
_cell_length_a 6.33349415
_cell_length_b 6.33349365
_cell_length_c 10.48663987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000266
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural KMg14CoAc
_chemical_formula_sum "K1 Mg14 Co1 Ac1"
_cell_length_a 6.33349415
_cell_length_b 6.33349365
_cell_length_c 10.48663987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000266
_space_group_name_H-M_alt ... |
AddAtomAction | a7931f01-4bf2-45b7-b0d2-656edc10e509 | mp-1021697 | Add one Ds atom at the Cartesian coordinate [3.275 5.032 7.979] to the cif file. | data_image0
_chemical_formula_structural Mg12Ti2V2
_chemical_formula_sum "Mg12 Ti2 V2"
_cell_length_a 5.016739
_cell_length_b 6.090405
_cell_length_c 10.871319
_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 Mg12Ti2V2Ds
_chemical_formula_sum "Mg12 Ti2 V2 Ds1"
_cell_length_a 5.016739
_cell_length_b 6.090405
_cell_length_c 10.871319
_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 | a3b2c5aa-568b-4815-be2d-ac74e60396e6 | mp-1202826 | Add one Ru atom at the Cartesian coordinate [4.228 6.26 1.81 ] to the cif file. | data_image0
_chemical_formula_structural Gd8U4S20
_chemical_formula_sum "Gd8 U4 S20"
_cell_length_a 7.4439669
_cell_length_b 8.00870386
_cell_length_c 11.77541072
_cell_angle_alpha 89.99970638999999
_cell_angle_beta 89.99995996999999
_cell_angle_gamma 89.99990333
_space_g... | data_image0
_chemical_formula_structural Gd8U4S20Ru
_chemical_formula_sum "Gd8 U4 S20 Ru1"
_cell_length_a 7.4439669
_cell_length_b 8.00870386
_cell_length_c 11.77541072
_cell_angle_alpha 89.99970638999999
_cell_angle_beta 89.99995996999999
_cell_angle_gamma 89.99990333
_s... |
AddAtomAction | 9dc8e098-fd26-4863-8a57-b55503dcc447 | mp-1041071 | Add one Fr atom at the Cartesian coordinate [6.412 1.519 7.569] to the cif file. | data_image0
_chemical_formula_structural Mg4Co8P8O32
_chemical_formula_sum "Mg4 Co8 P8 O32"
_cell_length_a 8.79836301
_cell_length_b 8.79836301
_cell_length_c 16.47690147
_cell_angle_alpha 60.88531827999999
_cell_angle_beta 60.88531827999999
_cell_angle_gamma 33.5818560400... | data_image0
_chemical_formula_structural Mg4Co8P8O32Fr
_chemical_formula_sum "Mg4 Co8 P8 O32 Fr1"
_cell_length_a 8.79836301
_cell_length_b 8.79836301
_cell_length_c 16.47690147
_cell_angle_alpha 60.88531827999999
_cell_angle_beta 60.88531827999999
_cell_angle_gamma 33.5818... |
AddAtomAction | 645aa9e9-86ff-4d4d-ac59-216b31582e6f | mp-1105286 | Add one Rh atom at the Cartesian coordinate [9.907 7.854 4.726] to the cif file. | data_image0
_chemical_formula_structural Eu9Pd6
_chemical_formula_sum "Eu9 Pd6"
_cell_length_a 7.82315942
_cell_length_b 7.82313956
_cell_length_c 7.823093980000001
_cell_angle_alpha 71.56246473
_cell_angle_beta 71.56151988
_cell_angle_gamma 71.56088198
_space_group_name_... | data_image0
_chemical_formula_structural Eu9Pd6Rh
_chemical_formula_sum "Eu9 Pd6 Rh1"
_cell_length_a 7.82315942
_cell_length_b 7.82313956
_cell_length_c 7.823093980000001
_cell_angle_alpha 71.56246473
_cell_angle_beta 71.56151988
_cell_angle_gamma 71.56088198
_space_group... |
AddAtomAction | ccce2121-18fc-4889-9b83-0e0b4910cace | mp-557500 | Add one Og atom at the Cartesian coordinate [3.736 4.32 5.557] to the cif file. | data_image0
_chemical_formula_structural LiNiP2S6
_chemical_formula_sum "Li1 Ni1 P2 S6"
_cell_length_a 5.89583925
_cell_length_b 5.89583925
_cell_length_c 6.96370041
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.41561003
_cell_angle_gamma 120.34450382000001
_space_gro... | data_image0
_chemical_formula_structural LiNiP2S6Og
_chemical_formula_sum "Li1 Ni1 P2 S6 Og1"
_cell_length_a 5.89583925
_cell_length_b 5.89583925
_cell_length_c 6.96370041
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.41561003
_cell_angle_gamma 120.34450382000001
_spa... |
AddAtomAction | 7299018a-3bdb-47c7-a7f3-d36e38679ffd | mp-2230050 | Add one Cu atom at the Cartesian coordinate [0.665 1.809 6.534] to the cif file. | data_image0
_chemical_formula_structural MgFe6O6F6
_chemical_formula_sum "Mg1 Fe6 O6 F6"
_cell_length_a 5.29770932
_cell_length_b 5.34074208
_cell_length_c 8.859214550000003
_cell_angle_alpha 87.20145085000001
_cell_angle_beta 92.1387507
_cell_angle_gamma 89.35857335
_spa... | data_image0
_chemical_formula_structural MgFe6O6F6Cu
_chemical_formula_sum "Mg1 Fe6 O6 F6 Cu1"
_cell_length_a 5.29770932
_cell_length_b 5.34074208
_cell_length_c 8.859214550000003
_cell_angle_alpha 87.20145085000001
_cell_angle_beta 92.1387507
_cell_angle_gamma 89.35857335... |
AddAtomAction | 42f7136a-3929-44fd-a33f-590caa27d1ad | mp-1034797 | Add one Sb atom at the Cartesian coordinate [ 1.673 1.371 10.25 ] to the cif file. | data_image0
_chemical_formula_structural RbNaMg14O15
_chemical_formula_sum "Rb1 Na1 Mg14 O15"
_cell_length_a 4.212568
_cell_length_b 8.376669
_cell_length_c 10.410615
_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 RbNaMg14O15Sb
_chemical_formula_sum "Rb1 Na1 Mg14 O15 Sb1"
_cell_length_a 4.212568
_cell_length_b 8.376669
_cell_length_c 10.410615
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
AddAtomAction | c7797683-2bc1-4e38-948a-2a40cb03d652 | mp-1026435 | Add one Y atom at the Cartesian coordinate [1.282 2.497 8.358] to the cif file. | data_image0
_chemical_formula_structural Mg14TiMo
_chemical_formula_sum "Mg14 Ti1 Mo1"
_cell_length_a 6.29406518
_cell_length_b 6.29406468
_cell_length_c 9.97224972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000263999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mg14TiMoY
_chemical_formula_sum "Mg14 Ti1 Mo1 Y1"
_cell_length_a 6.29406518
_cell_length_b 6.29406468
_cell_length_c 9.97224972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000263999999
_space_group_name_H-M... |
AddAtomAction | e9dea675-e905-4249-a11e-aba1bc319e47 | mp-1276479 | Add one Ag atom at the Cartesian coordinate [-0.533 0.263 7.94 ] to the cif file. | data_image0
_chemical_formula_structural Na2Ni10O12
_chemical_formula_sum "Na2 Ni10 O12"
_cell_length_a 5.18668659
_cell_length_b 5.186747049999999
_cell_length_c 9.91314397
_cell_angle_alpha 94.55001394
_cell_angle_beta 94.54833658
_cell_angle_gamma 119.34237754000002
_s... | data_image0
_chemical_formula_structural Na2Ni10O12Ag
_chemical_formula_sum "Na2 Ni10 O12 Ag1"
_cell_length_a 5.18668659
_cell_length_b 5.186747049999999
_cell_length_c 9.91314397
_cell_angle_alpha 94.55001394
_cell_angle_beta 94.54833658
_cell_angle_gamma 119.342377540000... |
AddAtomAction | 4399fc3a-fc44-494b-b269-e402664137b7 | mp-28088 | Add one Re atom at the Cartesian coordinate [0.329 3.026 5.137] to the cif file. | data_image0
_chemical_formula_structural Ca10Al4Bi12
_chemical_formula_sum "Ca10 Al4 Bi12"
_cell_length_a 4.587922
_cell_length_b 7.587673
_cell_length_c 23.580293
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Ca10Al4Bi12Re
_chemical_formula_sum "Ca10 Al4 Bi12 Re1"
_cell_length_a 4.587922
_cell_length_b 7.587673
_cell_length_c 23.580293
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
AddAtomAction | d032a776-8305-4edd-ac97-bd68b7d6ed1d | mp-551214 | Add one Tb atom at the Cartesian coordinate [0.775 0.463 5.537] to the cif file. | data_image0
_chemical_formula_structural Ce2Cr2S4O2
_chemical_formula_sum "Ce2 Cr2 S4 O2"
_cell_length_a 5.95918329
_cell_length_b 5.95918329
_cell_length_c 8.0268865
_cell_angle_alpha 89.79610506000002
_cell_angle_beta 89.79610506000002
_cell_angle_gamma 36.96267960999999... | data_image0
_chemical_formula_structural Ce2Cr2S4O2Tb
_chemical_formula_sum "Ce2 Cr2 S4 O2 Tb1"
_cell_length_a 5.95918329
_cell_length_b 5.95918329
_cell_length_c 8.0268865
_cell_angle_alpha 89.79610506000002
_cell_angle_beta 89.79610506000002
_cell_angle_gamma 36.96267960... |
AddAtomAction | 705f7257-d932-4146-bb1b-2617acbcd382 | mp-1195405 | Add one U atom at the Cartesian coordinate [3.215 0.644 3.911] to the cif file. | data_image0
_chemical_formula_structural Ho4Mn4Cu16P12
_chemical_formula_sum "Ho4 Mn4 Cu16 P12"
_cell_length_a 3.771811
_cell_length_b 10.83911
_cell_length_c 12.524323
_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 Ho4Mn4Cu16P12U
_chemical_formula_sum "Ho4 Mn4 Cu16 P12 U1"
_cell_length_a 3.771811
_cell_length_b 10.83911
_cell_length_c 12.524323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
AddAtomAction | de085cc7-ba91-4d78-9c33-360655e0e4b1 | mp-1226187 | Add one Cl atom at the Cartesian coordinate [0.185 6.262 9.97 ] to the cif file. | data_image0
_chemical_formula_structural Cs3Rb5Se4O16
_chemical_formula_sum "Cs3 Rb5 Se4 O16"
_cell_length_a 6.422812
_cell_length_b 8.37181042
_cell_length_c 11.19787457
_cell_angle_alpha 90.03647125
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs3Rb5Se4O16Cl
_chemical_formula_sum "Cs3 Rb5 Se4 O16 Cl1"
_cell_length_a 6.422812
_cell_length_b 8.37181042
_cell_length_c 11.19787457
_cell_angle_alpha 90.03647125
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
AddAtomAction | 72b3fb2e-2939-4196-be50-4a384e3146eb | mp-1173945 | Add one He atom at the Cartesian coordinate [4.262 1.406 6.223] to the cif file. | data_image0
_chemical_formula_structural Li6Mn4O10
_chemical_formula_sum "Li6 Mn4 O10"
_cell_length_a 2.88677384
_cell_length_b 9.87527634
_cell_length_c 6.744225100000001
_cell_angle_alpha 103.09512629
_cell_angle_beta 77.64228958
_cell_angle_gamma 90.00187715
_space_gro... | data_image0
_chemical_formula_structural Li6Mn4O10He
_chemical_formula_sum "Li6 Mn4 O10 He1"
_cell_length_a 2.88677384
_cell_length_b 9.87527634
_cell_length_c 6.744225100000001
_cell_angle_alpha 103.09512629
_cell_angle_beta 77.64228958
_cell_angle_gamma 90.00187715
_spa... |
AddAtomAction | f4cd2a38-6059-4b53-b29e-d137fe48e2cf | mp-1095566 | Add one Na atom at the Cartesian coordinate [3.229 1.632 0.649] to the cif file. | data_image0
_chemical_formula_structural La2Co8B2
_chemical_formula_sum "La2 Co8 B2"
_cell_length_a 5.12253573
_cell_length_b 5.12253573
_cell_length_c 6.833887
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999656000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La2Co8B2Na
_chemical_formula_sum "La2 Co8 B2 Na1"
_cell_length_a 5.12253573
_cell_length_b 5.12253573
_cell_length_c 6.833887
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999656000001
_space_group_name_H-M_a... |
AddAtomAction | a677295c-bf7c-474b-8df6-bc4b0f3c79cd | mp-1208738 | Add one Os atom at the Cartesian coordinate [-1.818 3.842 2.331] to the cif file. | data_image0
_chemical_formula_structural Tb12Ni6Pb
_chemical_formula_sum "Tb12 Ni6 Pb1"
_cell_length_a 8.41719034
_cell_length_b 8.41719034
_cell_length_c 8.41719034
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_n... | data_image0
_chemical_formula_structural Tb12Ni6PbOs
_chemical_formula_sum "Tb12 Ni6 Pb1 Os1"
_cell_length_a 8.41719034
_cell_length_b 8.41719034
_cell_length_c 8.41719034
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_g... |
AddAtomAction | 79d6957d-fdba-45e9-90cc-a391b011d89f | mp-760194 | Add one Np atom at the Cartesian coordinate [ 5.806 15.654 11.592] 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 Li8V8F48Np
_chemical_formula_sum "Li8 V8 F48 Np1"
_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 | 65ad4934-565d-4651-bea5-c2d6adc28c67 | mp-776000 | Add one Si atom at the Cartesian coordinate [11.553 6.69 2.288] to the cif file. | data_image0
_chemical_formula_structural Ti3Mn2SbP6O24
_chemical_formula_sum "Ti3 Mn2 Sb1 P6 O24"
_cell_length_a 8.7677868
_cell_length_b 8.7677868
_cell_length_c 8.76778687
_cell_angle_alpha 60.14399787999999
_cell_angle_beta 60.14399787999999
_cell_angle_gamma 60.1440039... | data_image0
_chemical_formula_structural Ti3Mn2SbP6O24Si
_chemical_formula_sum "Ti3 Mn2 Sb1 P6 O24 Si1"
_cell_length_a 8.7677868
_cell_length_b 8.7677868
_cell_length_c 8.76778687
_cell_angle_alpha 60.14399787999999
_cell_angle_beta 60.14399787999999
_cell_angle_gamma 60.1... |
AddAtomAction | d26f68eb-73c5-4b46-87c5-56b9fd617d27 | mp-556656 | Add one In atom at the Cartesian coordinate [ 1.435 6.926 11.188] to the cif file. | data_image0
_chemical_formula_structural Mn12B28Cl4O52
_chemical_formula_sum "Mn12 B28 Cl4 O52"
_cell_length_a 8.77641
_cell_length_b 8.778342
_cell_length_c 12.431005
_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 Mn12B28Cl4O52In
_chemical_formula_sum "Mn12 B28 Cl4 O52 In1"
_cell_length_a 8.77641
_cell_length_b 8.778342
_cell_length_c 12.431005
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
AddAtomAction | ddd7afa5-3395-4ce7-9446-f38864a4f8d4 | mp-673174 | Add one Pb atom at the Cartesian coordinate [1.851 3.088 4.242] to the cif file. | data_image0
_chemical_formula_structural Fe24N9
_chemical_formula_sum "Fe24 N9"
_cell_length_a 9.18370994
_cell_length_b 9.18370994
_cell_length_c 4.68417068
_cell_angle_alpha 89.98556771000001
_cell_angle_beta 89.98556771000001
_cell_angle_gamma 124.06654597999999
_space... | data_image0
_chemical_formula_structural Fe24N9Pb
_chemical_formula_sum "Fe24 N9 Pb1"
_cell_length_a 9.18370994
_cell_length_b 9.18370994
_cell_length_c 4.68417068
_cell_angle_alpha 89.98556771000001
_cell_angle_beta 89.98556771000001
_cell_angle_gamma 124.06654597999999
... |
AddAtomAction | 8ea5d7f2-74e8-4ef8-b017-c23744163e4b | mp-640383 | Add one Br atom at the Cartesian coordinate [3.848 2.004 9.263] to the cif file. | data_image0
_chemical_formula_structural Ho20Ni4Sb8
_chemical_formula_sum "Ho20 Ni4 Sb8"
_cell_length_a 7.90777468
_cell_length_b 8.69236289
_cell_length_c 12.08376576
_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 Ho20Ni4Sb8Br
_chemical_formula_sum "Ho20 Ni4 Sb8 Br1"
_cell_length_a 7.90777468
_cell_length_b 8.69236289
_cell_length_c 12.08376576
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
AddAtomAction | 5e07c459-62f8-4fc6-9520-35f4ae5a99ad | mp-1224597 | Add one Sc atom at the Cartesian coordinate [1.175 7.311 4.256] to the cif file. | data_image0
_chemical_formula_structural K8Nb8As8O44
_chemical_formula_sum "K8 Nb8 As8 O44"
_cell_length_a 10.52112835
_cell_length_b 10.01505432
_cell_length_c 10.36661248
_cell_angle_alpha 83.00976495
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural K8Nb8As8O44Sc
_chemical_formula_sum "K8 Nb8 As8 O44 Sc1"
_cell_length_a 10.52112835
_cell_length_b 10.01505432
_cell_length_c 10.36661248
_cell_angle_alpha 83.00976495
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
AddAtomAction | 91ea239b-7d97-491c-a8a6-d1e899e38bba | mp-557081 | Add one Lv atom at the Cartesian coordinate [ 0.519 2.329 31.521] to the cif file. | data_image0
_chemical_formula_structural Ba14Cr14O42
_chemical_formula_sum "Ba14 Cr14 O42"
_cell_length_a 5.74069414
_cell_length_b 5.74069414
_cell_length_c 32.846124
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000016
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba14Cr14O42Lv
_chemical_formula_sum "Ba14 Cr14 O42 Lv1"
_cell_length_a 5.74069414
_cell_length_b 5.74069414
_cell_length_c 32.846124
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000016
_space_group_name_H-M_a... |
AddAtomAction | 112f4969-5d0a-4de4-84e3-ba0619ae7768 | mp-1202797 | Add one Kr atom at the Cartesian coordinate [ 0.335 8.273 18.75 ] to the cif file. | data_image0
_chemical_formula_structural Ag4H24C6S6Br4N12
_chemical_formula_sum "Ag4 H24 C6 S6 Br4 N12"
_cell_length_a 4.442491
_cell_length_b 8.407144
_cell_length_c 22.01302039
_cell_angle_alpha 90.0
_cell_angle_beta 101.07856111
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Ag4H24C6S6Br4N12Kr
_chemical_formula_sum "Ag4 H24 C6 S6 Br4 N12 Kr1"
_cell_length_a 4.442491
_cell_length_b 8.407144
_cell_length_c 22.01302039
_cell_angle_alpha 90.0
_cell_angle_beta 101.07856111
_cell_angle_gamma 90.0
_space_grou... |
AddAtomAction | 353676cb-48ee-4122-a0e6-c333999e6c53 | mp-4721 | Add one Ta atom at the Cartesian coordinate [5.99 0.618 1.152] to the cif file. | data_image0
_chemical_formula_structural Rb4Sb12Se20
_chemical_formula_sum "Rb4 Sb12 Se20"
_cell_length_a 8.80451087
_cell_length_b 9.69550567
_cell_length_c 13.15641808
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.79824545
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Rb4Sb12Se20Ta
_chemical_formula_sum "Rb4 Sb12 Se20 Ta1"
_cell_length_a 8.80451087
_cell_length_b 9.69550567
_cell_length_c 13.15641808
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.79824545
_space_group_name_H-M... |
AddAtomAction | fa2e8210-4a13-4527-a912-75bff92c990b | mp-1369271 | Add one Es atom at the Cartesian coordinate [6.14 2.666 3.495] to the cif file. | data_image0
_chemical_formula_structural Ti2Zn4Sb2O12
_chemical_formula_sum "Ti2 Zn4 Sb2 O12"
_cell_length_a 7.86177
_cell_length_b 5.296439
_cell_length_c 5.34563952
_cell_angle_alpha 88.86624839
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ti2Zn4Sb2O12Es
_chemical_formula_sum "Ti2 Zn4 Sb2 O12 Es1"
_cell_length_a 7.86177
_cell_length_b 5.296439
_cell_length_c 5.34563952
_cell_angle_alpha 88.86624839
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
AddAtomAction | 739c35a2-54b4-41c0-9b60-a7fd4de39aff | mp-613677 | Add one Ta atom at the Cartesian coordinate [0.804 0.152 1.316] to the cif file. | data_image0
_chemical_formula_structural Gd4Mn4Ge4
_chemical_formula_sum "Gd4 Mn4 Ge4"
_cell_length_a 3.883324
_cell_length_b 7.035758
_cell_length_c 8.062189
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Gd4Mn4Ge4Ta
_chemical_formula_sum "Gd4 Mn4 Ge4 Ta1"
_cell_length_a 3.883324
_cell_length_b 7.035758
_cell_length_c 8.062189
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
AddAtomAction | c4d38274-0e10-440a-bb41-620a6bf0a5d1 | mp-755893 | Add one Mt atom at the Cartesian coordinate [2.338 3.684 5.244] to the cif file. | data_image0
_chemical_formula_structural Ca4Bi4O12
_chemical_formula_sum "Ca4 Bi4 O12"
_cell_length_a 5.75831054
_cell_length_b 6.02554523
_cell_length_c 8.33034702
_cell_angle_alpha 90.0
_cell_angle_beta 90.10598141
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ca4Bi4O12Mt
_chemical_formula_sum "Ca4 Bi4 O12 Mt1"
_cell_length_a 5.75831054
_cell_length_b 6.02554523
_cell_length_c 8.33034702
_cell_angle_alpha 90.0
_cell_angle_beta 90.10598141
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.