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 | d78a69f4-e7ed-43d7-b6d5-e50d186f53b1 | mp-1217308 | Add one Sc atom at the Cartesian coordinate [7.074 0.456 4.235] to the cif file. | data_image0
_chemical_formula_structural Tl2P6N4O24
_chemical_formula_sum "Tl2 P6 N4 O24"
_cell_length_a 11.73209994
_cell_length_b 11.73209994
_cell_length_c 11.732099939999998
_cell_angle_alpha 140.19938611
_cell_angle_beta 140.19938610999998
_cell_angle_gamma 57.5506841... | data_image0
_chemical_formula_structural Tl2P6N4O24Sc
_chemical_formula_sum "Tl2 P6 N4 O24 Sc1"
_cell_length_a 11.73209994
_cell_length_b 11.73209994
_cell_length_c 11.732099939999998
_cell_angle_alpha 140.19938611
_cell_angle_beta 140.19938610999998
_cell_angle_gamma 57.5... |
AddAtomAction | ed8a74b0-7ede-499b-9eb4-b3923648d469 | mp-690554 | Add one Mn atom at the Cartesian coordinate [22.666 1.74 0.987] to the cif file. | data_image0
_chemical_formula_structural Sr5La5CuNi4O20
_chemical_formula_sum "Sr5 La5 Cu1 Ni4 O20"
_cell_length_a 19.32603118
_cell_length_b 8.65338858
_cell_length_c 6.85316372
_cell_angle_alpha 112.30009056
_cell_angle_beta 106.43825166999999
_cell_angle_gamma 26.524981... | data_image0
_chemical_formula_structural Sr5La5CuNi4O20Mn
_chemical_formula_sum "Sr5 La5 Cu1 Ni4 O20 Mn1"
_cell_length_a 19.32603118
_cell_length_b 8.65338858
_cell_length_c 6.85316372
_cell_angle_alpha 112.30009056
_cell_angle_beta 106.43825166999999
_cell_angle_gamma 26.... |
AddAtomAction | 02cd63c2-a635-4696-bf09-c83d8d2211cf | mp-753310 | Add one N atom at the Cartesian coordinate [8.017 3.915 2.877] to the cif file. | data_image0
_chemical_formula_structural Li2Cr3CuO8
_chemical_formula_sum "Li2 Cr3 Cu1 O8"
_cell_length_a 5.90868671
_cell_length_b 5.90868671
_cell_length_c 5.9086867
_cell_angle_alpha 59.47817554000001
_cell_angle_beta 59.47817554000001
_cell_angle_gamma 59.4781801200000... | data_image0
_chemical_formula_structural Li2Cr3CuO8N
_chemical_formula_sum "Li2 Cr3 Cu1 O8 N1"
_cell_length_a 5.90868671
_cell_length_b 5.90868671
_cell_length_c 5.9086867
_cell_angle_alpha 59.47817554000001
_cell_angle_beta 59.47817554000001
_cell_angle_gamma 59.478180120... |
AddAtomAction | 7a7690c5-20d5-4ce3-8ab7-6faa34fd99cb | mp-777904 | Add one Cf atom at the Cartesian coordinate [2.089 3.35 2.788] to the cif file. | data_image0
_chemical_formula_structural Li4Ti6Cr2O16
_chemical_formula_sum "Li4 Ti6 Cr2 O16"
_cell_length_a 5.89554411
_cell_length_b 5.8955441099999994
_cell_length_c 9.646889
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000123
_space_group_name_... | data_image0
_chemical_formula_structural Li4Ti6Cr2O16Cf
_chemical_formula_sum "Li4 Ti6 Cr2 O16 Cf1"
_cell_length_a 5.89554411
_cell_length_b 5.8955441099999994
_cell_length_c 9.646889
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000123
_space_group... |
AddAtomAction | 43931084-9672-4880-9b1d-282a92a82165 | mp-1196758 | Add one F atom at the Cartesian coordinate [4.518 1.593 3.068] to the cif file. | data_image0
_chemical_formula_structural K4Cd4B12O24
_chemical_formula_sum "K4 Cd4 B12 O24"
_cell_length_a 7.56052219
_cell_length_b 7.560522190000001
_cell_length_c 12.41404401
_cell_angle_alpha 82.29743995999999
_cell_angle_beta 82.29743995999999
_cell_angle_gamma 123.18... | data_image0
_chemical_formula_structural K4Cd4B12O24F
_chemical_formula_sum "K4 Cd4 B12 O24 F1"
_cell_length_a 7.56052219
_cell_length_b 7.560522190000001
_cell_length_c 12.41404401
_cell_angle_alpha 82.29743995999999
_cell_angle_beta 82.29743995999999
_cell_angle_gamma 12... |
AddAtomAction | e169905b-d4ee-4bce-a97f-2c53d27a20a7 | mp-1045681 | Add one Mc atom at the Cartesian coordinate [17.744 10.64 7.039] to the cif file. | data_image0
_chemical_formula_structural Mg8Sb8As16Se8O56
_chemical_formula_sum "Mg8 Sb8 As16 Se8 O56"
_cell_length_a 10.63966254
_cell_length_b 13.52879227
_cell_length_c 13.52471817
_cell_angle_alpha 81.13835569
_cell_angle_beta 66.83762353
_cell_angle_gamma 66.830633739... | data_image0
_chemical_formula_structural Mg8Sb8As16Se8O56Mc
_chemical_formula_sum "Mg8 Sb8 As16 Se8 O56 Mc1"
_cell_length_a 10.63966254
_cell_length_b 13.52879227
_cell_length_c 13.52471817
_cell_angle_alpha 81.13835569
_cell_angle_beta 66.83762353
_cell_angle_gamma 66.830... |
AddAtomAction | 91f8a27b-4bb8-4991-89c5-5bd9119c41dd | mp-1176929 | Add one Li atom at the Cartesian coordinate [12.574 5.551 6.545] to the cif file. | data_image0
_chemical_formula_structural Li12V6P16O58
_chemical_formula_sum "Li12 V6 P16 O58"
_cell_length_a 9.79348461
_cell_length_b 9.79581916
_cell_length_c 14.06576449
_cell_angle_alpha 90.95621213000001
_cell_angle_beta 90.88902406
_cell_angle_gamma 60.31136227000000... | data_image0
_chemical_formula_structural Li12V6P16O58Li
_chemical_formula_sum "Li13 V6 P16 O58"
_cell_length_a 9.79348461
_cell_length_b 9.79581916
_cell_length_c 14.06576449
_cell_angle_alpha 90.95621213000001
_cell_angle_beta 90.88902406
_cell_angle_gamma 60.311362270000... |
AddAtomAction | 18017b7b-315e-4e4f-9d5f-a0c083f2cbb4 | mp-31180 | Add one Rn atom at the Cartesian coordinate [0.271 4.614 1.892] to the cif file. | data_image0
_chemical_formula_structural Dy2Al8Ni2
_chemical_formula_sum "Dy2 Al8 Ni2"
_cell_length_a 4.04611252
_cell_length_b 6.54957622
_cell_length_c 7.92753761
_cell_angle_alpha 90.0
_cell_angle_beta 104.78503715
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Dy2Al8Ni2Rn
_chemical_formula_sum "Dy2 Al8 Ni2 Rn1"
_cell_length_a 4.04611252
_cell_length_b 6.54957622
_cell_length_c 7.92753761
_cell_angle_alpha 90.0
_cell_angle_beta 104.78503715
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
AddAtomAction | 9856e160-d350-46aa-a131-2cf75a64d3e1 | mp-510056 | Add one Db atom at the Cartesian coordinate [4.163 0.302 1.361] 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 CaV4Cu3O12Db
_chemical_formula_sum "Ca1 V4 Cu3 O12 Db1"
_cell_length_a 6.41600809
_cell_length_b 6.41600809
_cell_length_c 6.41600809
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_spac... |
AddAtomAction | 68d07b0c-6413-47aa-b118-658da45f0a6f | mp-774255 | Add one W atom at the Cartesian coordinate [0.155 4.9 4.045] to the cif file. | data_image0
_chemical_formula_structural K6Cr2P2C2O14
_chemical_formula_sum "K6 Cr2 P2 C2 O14"
_cell_length_a 9.94343236
_cell_length_b 6.807099
_cell_length_c 5.733245119999999
_cell_angle_alpha 89.99848373
_cell_angle_beta 88.62955287
_cell_angle_gamma 90.00328154
_spac... | data_image0
_chemical_formula_structural K6Cr2P2C2O14W
_chemical_formula_sum "K6 Cr2 P2 C2 O14 W1"
_cell_length_a 9.94343236
_cell_length_b 6.807099
_cell_length_c 5.733245119999999
_cell_angle_alpha 89.99848373
_cell_angle_beta 88.62955287
_cell_angle_gamma 90.00328154
_... |
AddAtomAction | 8f210a48-b185-4de1-ad8a-d30302e10761 | mp-11609 | Add one As atom at the Cartesian coordinate [1.236 4.39 6.259] 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 Sb2Mo4S4As
_chemical_formula_sum "Sb2 Mo4 S4 As1"
_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 | df60cbdc-4e6a-408c-9c00-613f37b0dcd5 | mp-680722 | Add one Rb atom at the Cartesian coordinate [7.943 5.441 6.793] to the cif file. | data_image0
_chemical_formula_structural As4Pb28Cl8O34
_chemical_formula_sum "As4 Pb28 Cl8 O34"
_cell_length_a 13.19017083
_cell_length_b 13.19017083
_cell_length_c 11.50358125
_cell_angle_alpha 76.55109875
_cell_angle_beta 76.55109875
_cell_angle_gamma 121.34357819000002
... | data_image0
_chemical_formula_structural As4Pb28Cl8O34Rb
_chemical_formula_sum "As4 Pb28 Cl8 O34 Rb1"
_cell_length_a 13.19017083
_cell_length_b 13.19017083
_cell_length_c 11.50358125
_cell_angle_alpha 76.55109875
_cell_angle_beta 76.55109875
_cell_angle_gamma 121.343578190... |
AddAtomAction | e4c77f7e-7aec-4461-91ea-728262e75453 | mp-10834 | Add one C atom at the Cartesian coordinate [1.468 1.8 3.93 ] to the cif file. | data_image0
_chemical_formula_structural Rb2Nd4Cu2S8
_chemical_formula_sum "Rb2 Nd4 Cu2 S8"
_cell_length_a 7.34774261
_cell_length_b 7.34774261
_cell_length_c 14.03353693
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 147.70587414
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Rb2Nd4Cu2S8C
_chemical_formula_sum "Rb2 Nd4 Cu2 S8 C1"
_cell_length_a 7.34774261
_cell_length_b 7.34774261
_cell_length_c 14.03353693
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 147.70587414
_space_group_name_H-M... |
AddAtomAction | 402313d1-e506-4a67-8a5b-8520b0334ff8 | mp-849436 | Add one Ts atom at the Cartesian coordinate [2.085 3.997 4.103] to the cif file. | data_image0
_chemical_formula_structural Na4Fe8O16
_chemical_formula_sum "Na4 Fe8 O16"
_cell_length_a 4.87663805
_cell_length_b 5.63360102
_cell_length_c 11.44362409
_cell_angle_alpha 90.00701889999999
_cell_angle_beta 89.98528238
_cell_angle_gamma 90.00346771
_space_grou... | data_image0
_chemical_formula_structural Na4Fe8O16Ts
_chemical_formula_sum "Na4 Fe8 O16 Ts1"
_cell_length_a 4.87663805
_cell_length_b 5.63360102
_cell_length_c 11.44362409
_cell_angle_alpha 90.00701889999999
_cell_angle_beta 89.98528238
_cell_angle_gamma 90.00346771
_spac... |
AddAtomAction | bdb66afe-288e-4bfa-b903-04ffe0b996c3 | mp-1306534 | Add one Tm atom at the Cartesian coordinate [-2.848 4.86 3.734] to the cif file. | data_image0
_chemical_formula_structural V2Cr4O8
_chemical_formula_sum "V2 Cr4 O8"
_cell_length_a 6.07895869
_cell_length_b 6.08379871
_cell_length_c 6.12704615
_cell_angle_alpha 59.93071830000001
_cell_angle_beta 119.20253117000001
_cell_angle_gamma 120.35283402999998
_s... | data_image0
_chemical_formula_structural V2Cr4O8Tm
_chemical_formula_sum "V2 Cr4 O8 Tm1"
_cell_length_a 6.07895869
_cell_length_b 6.08379871
_cell_length_c 6.12704615
_cell_angle_alpha 59.93071830000001
_cell_angle_beta 119.20253117000001
_cell_angle_gamma 120.352834029999... |
AddAtomAction | 7f76885a-1a22-4e5e-a39c-8fb5f2b8a88a | mp-1106190 | Add one Sg atom at the Cartesian coordinate [5.345 0.733 1.583] to the cif file. | data_image0
_chemical_formula_structural Er4Ga12Ni
_chemical_formula_sum "Er4 Ga12 Ni1"
_cell_length_a 7.31613481
_cell_length_b 7.31613481
_cell_length_c 7.31613481
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_n... | data_image0
_chemical_formula_structural Er4Ga12NiSg
_chemical_formula_sum "Er4 Ga12 Ni1 Sg1"
_cell_length_a 7.31613481
_cell_length_b 7.31613481
_cell_length_c 7.31613481
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_g... |
AddAtomAction | a282128d-a8ff-4ca7-bede-3feddb8d263c | mp-1027627 | Add one F atom at the Cartesian coordinate [ 1.88 1.155 21.529] to the cif file. | data_image0
_chemical_formula_structural Te2Mo4Se2S4
_chemical_formula_sum "Te2 Mo4 Se2 S4"
_cell_length_a 3.30911865
_cell_length_b 3.30911865
_cell_length_c 37.58381
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001295
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Te2Mo4Se2S4F
_chemical_formula_sum "Te2 Mo4 Se2 S4 F1"
_cell_length_a 3.30911865
_cell_length_b 3.30911865
_cell_length_c 37.58381
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001295
_space_group_name_H-M_al... |
AddAtomAction | 4ca8e483-057a-4b94-ae20-01f65ec5d90f | mp-695175 | Add one Ge atom at the Cartesian coordinate [5.149 0.451 2.101] to the cif file. | data_image0
_chemical_formula_structural Na3Sr14Nd3Ti20O60
_chemical_formula_sum "Na3 Sr14 Nd3 Ti20 O60"
_cell_length_a 5.53353707
_cell_length_b 5.533537070000001
_cell_length_c 39.484861
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.02449801
_space_g... | data_image0
_chemical_formula_structural Na3Sr14Nd3Ti20O60Ge
_chemical_formula_sum "Na3 Sr14 Nd3 Ti20 O60 Ge1"
_cell_length_a 5.53353707
_cell_length_b 5.533537070000001
_cell_length_c 39.484861
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.02449801
_s... |
AddAtomAction | 91f12fd1-d3ba-4911-8643-30a6acd5bd40 | mp-770527 | Add one Br atom at the Cartesian coordinate [2.393 0.328 9.284] to the cif file. | data_image0
_chemical_formula_structural Li4Mn8O18
_chemical_formula_sum "Li4 Mn8 O18"
_cell_length_a 4.93901349
_cell_length_b 4.93901349
_cell_length_c 13.586927
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999311
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li4Mn8O18Br
_chemical_formula_sum "Li4 Mn8 O18 Br1"
_cell_length_a 4.93901349
_cell_length_b 4.93901349
_cell_length_c 13.586927
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999311
_space_group_name_H-M_alt ... |
AddAtomAction | b6c17ece-6430-4071-8a19-5d1ef8ddfd16 | mp-885434 | Add one Cf atom at the Cartesian coordinate [2.687 4.307 1.586] to the cif file. | data_image0
_chemical_formula_structural K2Li4Fe2O6
_chemical_formula_sum "K2 Li4 Fe2 O6"
_cell_length_a 5.49476973
_cell_length_b 5.49476973
_cell_length_c 6.15100138
_cell_angle_alpha 89.91165704999999
_cell_angle_beta 89.91165704999999
_cell_angle_gamma 73.42810532
_sp... | data_image0
_chemical_formula_structural K2Li4Fe2O6Cf
_chemical_formula_sum "K2 Li4 Fe2 O6 Cf1"
_cell_length_a 5.49476973
_cell_length_b 5.49476973
_cell_length_c 6.15100138
_cell_angle_alpha 89.91165704999999
_cell_angle_beta 89.91165704999999
_cell_angle_gamma 73.4281053... |
AddAtomAction | 9afde0db-c6d4-4577-8201-1908c33a9a44 | mp-755181 | Add one Kr atom at the Cartesian coordinate [3.483 2.152 3.783] to the cif file. | data_image0
_chemical_formula_structural V4O5F7
_chemical_formula_sum "V4 O5 F7"
_cell_length_a 5.12574628
_cell_length_b 5.22331207
_cell_length_c 8.79028543
_cell_angle_alpha 74.68223174
_cell_angle_beta 90.24159362
_cell_angle_gamma 60.52764890000001
_space_group_name_... | data_image0
_chemical_formula_structural V4O5F7Kr
_chemical_formula_sum "V4 O5 F7 Kr1"
_cell_length_a 5.12574628
_cell_length_b 5.22331207
_cell_length_c 8.79028543
_cell_angle_alpha 74.68223174
_cell_angle_beta 90.24159362
_cell_angle_gamma 60.52764890000001
_space_group... |
AddAtomAction | c250ec17-eb29-4539-a368-c734eed55acd | mp-573073 | Add one Np atom at the Cartesian coordinate [4.151 1.153 0.416] to the cif file. | data_image0
_chemical_formula_structural Cs14Cu12F38
_chemical_formula_sum "Cs14 Cu12 F38"
_cell_length_a 6.25390924
_cell_length_b 11.44072763
_cell_length_c 15.851694559999999
_cell_angle_alpha 82.62092964000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... | data_image0
_chemical_formula_structural Cs14Cu12F38Np
_chemical_formula_sum "Cs14 Cu12 F38 Np1"
_cell_length_a 6.25390924
_cell_length_b 11.44072763
_cell_length_c 15.851694559999999
_cell_angle_alpha 82.62092964000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_... |
AddAtomAction | ae3a3fd8-c590-40bb-90ed-df67f9d2b48f | mp-1095343 | Add one Y atom at the Cartesian coordinate [0.05 0.435 5.528] to the cif file. | data_image0
_chemical_formula_structural Ca4Mg6Si2
_chemical_formula_sum "Ca4 Mg6 Si2"
_cell_length_a 6.05656735
_cell_length_b 6.05656735
_cell_length_c 9.461633
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999293
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Ca4Mg6Si2Y
_chemical_formula_sum "Ca4 Mg6 Si2 Y1"
_cell_length_a 6.05656735
_cell_length_b 6.05656735
_cell_length_c 9.461633
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999293
_space_group_name_H-M_alt ... |
AddAtomAction | 8bb662d8-900b-4c28-82ae-05ecd0d34f1b | mp-861293 | Add one Ca atom at the Cartesian coordinate [5.506 2.41 2.004] to the cif file. | data_image0
_chemical_formula_structural Li16Ni2O8F4
_chemical_formula_sum "Li16 Ni2 O8 F4"
_cell_length_a 5.43993172
_cell_length_b 5.18163322
_cell_length_c 10.51516735
_cell_angle_alpha 79.76806078
_cell_angle_beta 76.84242325
_cell_angle_gamma 63.99654066
_space_group... | data_image0
_chemical_formula_structural Li16Ni2O8F4Ca
_chemical_formula_sum "Li16 Ni2 O8 F4 Ca1"
_cell_length_a 5.43993172
_cell_length_b 5.18163322
_cell_length_c 10.51516735
_cell_angle_alpha 79.76806078
_cell_angle_beta 76.84242325
_cell_angle_gamma 63.99654066
_space... |
AddAtomAction | f8eb65c5-7c5b-485f-8549-17c8bcf21a56 | mp-989647 | Add one C atom at the Cartesian coordinate [2.954 4.628 1.192] to the cif file. | data_image0
_chemical_formula_structural Y4Re4N12
_chemical_formula_sum "Y4 Re4 N12"
_cell_length_a 5.3829449
_cell_length_b 5.59557393
_cell_length_c 7.68551211
_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 Y4Re4N12C
_chemical_formula_sum "Y4 Re4 N12 C1"
_cell_length_a 5.3829449
_cell_length_b 5.59557393
_cell_length_c 7.68551211
_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 | c3de8e05-b197-45c3-8f9f-cc8078f4b6e3 | mp-776680 | Add one O atom at the Cartesian coordinate [5.139 5.878 2.283] to the cif file. | data_image0
_chemical_formula_structural TiMn2Ni3P6O24
_chemical_formula_sum "Ti1 Mn2 Ni3 P6 O24"
_cell_length_a 8.55608297
_cell_length_b 8.55608297
_cell_length_c 8.55608298
_cell_angle_alpha 60.853267769999995
_cell_angle_beta 60.853267769999995
_cell_angle_gamma 60.853... | data_image0
_chemical_formula_structural TiMn2Ni3P6O25
_chemical_formula_sum "Ti1 Mn2 Ni3 P6 O25"
_cell_length_a 8.55608297
_cell_length_b 8.55608297
_cell_length_c 8.55608298
_cell_angle_alpha 60.853267769999995
_cell_angle_beta 60.853267769999995
_cell_angle_gamma 60.853... |
AddAtomAction | b9605b6f-1086-47fb-860f-afdbbcf78741 | mp-756803 | Add one Dy atom at the Cartesian coordinate [7.17 4.842 0.556] to the cif file. | data_image0
_chemical_formula_structural Li3Fe4NiO8
_chemical_formula_sum "Li3 Fe4 Ni1 O8"
_cell_length_a 5.99879997
_cell_length_b 5.99879997
_cell_length_c 5.98749598
_cell_angle_alpha 60.26840743
_cell_angle_beta 60.26840743
_cell_angle_gamma 59.43487156
_space_group_n... | data_image0
_chemical_formula_structural Li3Fe4NiO8Dy
_chemical_formula_sum "Li3 Fe4 Ni1 O8 Dy1"
_cell_length_a 5.99879997
_cell_length_b 5.99879997
_cell_length_c 5.98749598
_cell_angle_alpha 60.26840743
_cell_angle_beta 60.26840743
_cell_angle_gamma 59.43487156
_space_g... |
AddAtomAction | fa39799f-8d00-47ef-88d7-e29498107dcf | mp-1111700 | Add one B atom at the Cartesian coordinate [6.675 4.802 5.719] to the cif file. | data_image0
_chemical_formula_structural Na3TlBr6
_chemical_formula_sum "Na3 Tl1 Br6"
_cell_length_a 7.95609256
_cell_length_b 7.95609256
_cell_length_c 7.95609256
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_... | data_image0
_chemical_formula_structural Na3TlBr6B
_chemical_formula_sum "Na3 Tl1 Br6 B1"
_cell_length_a 7.95609256
_cell_length_b 7.95609256
_cell_length_c 7.95609256
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... |
AddAtomAction | 0c8df525-e0cd-4b4a-b27a-3d1a223fc063 | mp-1232277 | Add one Re atom at the Cartesian coordinate [2.224 5.012 5.898] to the cif file. | data_image0
_chemical_formula_structural Sm6Mg6S18
_chemical_formula_sum "Sm6 Mg6 S18"
_cell_length_a 6.855687
_cell_length_b 6.85568666
_cell_length_c 17.754389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999680999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sm6Mg6S18Re
_chemical_formula_sum "Sm6 Mg6 S18 Re1"
_cell_length_a 6.855687
_cell_length_b 6.85568666
_cell_length_c 17.754389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999680999998
_space_group_name_H-M_... |
AddAtomAction | 1f95700b-2d21-453b-87c3-d64b5e6fd0cc | mp-554072 | Add one Pm atom at the Cartesian coordinate [4.106 2.011 6.192] to the cif file. | data_image0
_chemical_formula_structural K4C2O6
_chemical_formula_sum "K4 C2 O6"
_cell_length_a 5.59586248
_cell_length_b 5.74233989
_cell_length_c 6.7059935
_cell_angle_alpha 84.65593184
_cell_angle_beta 78.98018179
_cell_angle_gamma 60.840285819999984
_space_group_name_... | data_image0
_chemical_formula_structural K4C2O6Pm
_chemical_formula_sum "K4 C2 O6 Pm1"
_cell_length_a 5.59586248
_cell_length_b 5.74233989
_cell_length_c 6.7059935
_cell_angle_alpha 84.65593184
_cell_angle_beta 78.98018179
_cell_angle_gamma 60.840285819999984
_space_group... |
AddAtomAction | f3291de2-5361-4a71-8046-0e3ed6e3402c | mp-1029153 | Add one Mn atom at the Cartesian coordinate [2.097 1.025 7.257] to the cif file. | data_image0
_chemical_formula_structural Te2Mo2W2Se4S2
_chemical_formula_sum "Te2 Mo2 W2 Se4 S2"
_cell_length_a 3.34167077
_cell_length_b 3.34167077
_cell_length_c 38.037908
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001524
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Te2Mo2W2Se4S2Mn
_chemical_formula_sum "Te2 Mo2 W2 Se4 S2 Mn1"
_cell_length_a 3.34167077
_cell_length_b 3.34167077
_cell_length_c 38.037908
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001524
_space_group_nam... |
AddAtomAction | 1aa1d25b-7b2c-416e-9b84-7d6186f1e2d3 | mp-997504 | Add one At atom at the Cartesian coordinate [5.466 4.753 1.317] to the cif file. | data_image0
_chemical_formula_structural Cu6O2F10
_chemical_formula_sum "Cu6 O2 F10"
_cell_length_a 7.54065713
_cell_length_b 5.535047279999999
_cell_length_c 5.38770919
_cell_angle_alpha 70.58667508
_cell_angle_beta 107.75736870000001
_cell_angle_gamma 106.39862776
_spac... | data_image0
_chemical_formula_structural Cu6O2F10At
_chemical_formula_sum "Cu6 O2 F10 At1"
_cell_length_a 7.54065713
_cell_length_b 5.535047279999999
_cell_length_c 5.38770919
_cell_angle_alpha 70.58667508
_cell_angle_beta 107.75736870000001
_cell_angle_gamma 106.39862776
... |
AddAtomAction | b276ba71-d56b-4d71-b5d2-7bbd73b2dc0f | mp-2241417 | Add one W atom at the Cartesian coordinate [0.51 0.156 6.657] to the cif file. | data_image0
_chemical_formula_structural Na2MgMn2O8
_chemical_formula_sum "Na2 Mg1 Mn2 O8"
_cell_length_a 5.73591922
_cell_length_b 5.73591922
_cell_length_c 7.55996077
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 57.525083220000006
_space_group_name_H-M... | data_image0
_chemical_formula_structural Na2MgMn2O8W
_chemical_formula_sum "Na2 Mg1 Mn2 O8 W1"
_cell_length_a 5.73591922
_cell_length_b 5.73591922
_cell_length_c 7.55996077
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 57.525083220000006
_space_group_name... |
AddAtomAction | e35067e6-3fc0-4ca9-9f1e-7e4f35f8f972 | mp-2230732 | Add one Os atom at the Cartesian coordinate [4.455 0.219 4.196] to the cif file. | data_image0
_chemical_formula_structural MgFe6O11F
_chemical_formula_sum "Mg1 Fe6 O11 F1"
_cell_length_a 4.85946056
_cell_length_b 7.45549383
_cell_length_c 5.51926505
_cell_angle_alpha 95.12245838
_cell_angle_beta 91.52087611
_cell_angle_gamma 88.62284776
_space_group_na... | data_image0
_chemical_formula_structural MgFe6O11FOs
_chemical_formula_sum "Mg1 Fe6 O11 F1 Os1"
_cell_length_a 4.85946056
_cell_length_b 7.45549383
_cell_length_c 5.51926505
_cell_angle_alpha 95.12245838
_cell_angle_beta 91.52087611
_cell_angle_gamma 88.62284776
_space_gr... |
AddAtomAction | 1d53c152-8af6-4433-8b67-4a521032a8d2 | mp-561176 | Add one Ir atom at the Cartesian coordinate [9.765 7.078 5.723] to the cif file. | data_image0
_chemical_formula_structural Sb8P4O4F52
_chemical_formula_sum "Sb8 P4 O4 F52"
_cell_length_a 15.0466
_cell_length_b 7.469936
_cell_length_c 10.5737995
_cell_angle_alpha 82.54533753999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sb8P4O4F52Ir
_chemical_formula_sum "Sb8 P4 O4 F52 Ir1"
_cell_length_a 15.0466
_cell_length_b 7.469936
_cell_length_c 10.5737995
_cell_angle_alpha 82.54533753999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
AddAtomAction | 5442ef7f-2fe5-412f-9c2f-cbf8d8123658 | mp-759285 | Add one Pm atom at the Cartesian coordinate [1.305 3.459 1.022] to the cif file. | data_image0
_chemical_formula_structural Li4Fe7O2F14
_chemical_formula_sum "Li4 Fe7 O2 F14"
_cell_length_a 6.187905
_cell_length_b 6.22051538
_cell_length_c 10.776466370000001
_cell_angle_alpha 91.03348126
_cell_angle_beta 105.74202947
_cell_angle_gamma 119.43502851
_spac... | data_image0
_chemical_formula_structural Li4Fe7O2F14Pm
_chemical_formula_sum "Li4 Fe7 O2 F14 Pm1"
_cell_length_a 6.187905
_cell_length_b 6.22051538
_cell_length_c 10.776466370000001
_cell_angle_alpha 91.03348126
_cell_angle_beta 105.74202947
_cell_angle_gamma 119.43502851
... |
AddAtomAction | 512641bf-cc55-4cf5-af14-ff4dcc7ed950 | mp-1046918 | Add one Pt atom at the Cartesian coordinate [3.134 4.238 7.653] to the cif file. | data_image0
_chemical_formula_structural Ca4Ti4O8
_chemical_formula_sum "Ca4 Ti4 O8"
_cell_length_a 2.98719992
_cell_length_b 8.43779539
_cell_length_c 9.04107259
_cell_angle_alpha 85.8211923
_cell_angle_beta 80.76044051
_cell_angle_gamma 79.79836391000002
_space_group_na... | data_image0
_chemical_formula_structural Ca4Ti4O8Pt
_chemical_formula_sum "Ca4 Ti4 O8 Pt1"
_cell_length_a 2.98719992
_cell_length_b 8.43779539
_cell_length_c 9.04107259
_cell_angle_alpha 85.8211923
_cell_angle_beta 80.76044051
_cell_angle_gamma 79.79836391000002
_space_gr... |
AddAtomAction | 9a79ca9b-a93f-41d9-873e-08f708008826 | mp-1246600 | Add one O atom at the Cartesian coordinate [-0.503 2.79 2.821] to the cif file. | data_image0
_chemical_formula_structural Ba6Cu2N6
_chemical_formula_sum "Ba6 Cu2 N6"
_cell_length_a 8.09362701
_cell_length_b 8.09295231
_cell_length_c 5.704156
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99708753
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ba6Cu2N6O
_chemical_formula_sum "Ba6 Cu2 N6 O1"
_cell_length_a 8.09362701
_cell_length_b 8.09295231
_cell_length_c 5.704156
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99708753
_space_group_name_H-M_alt "P... |
AddAtomAction | 287d9e0f-0260-4c74-ab81-74db3146ed92 | mp-571569 | Add one He atom at the Cartesian coordinate [ 0.033 3.054 24.344] to the cif file. | data_image0
_chemical_formula_structural Cd9I18
_chemical_formula_sum "Cd9 I18"
_cell_length_a 4.28636008
_cell_length_b 4.28635996
_cell_length_c 64.37281574
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000093000001
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cd9I18He
_chemical_formula_sum "Cd9 I18 He1"
_cell_length_a 4.28636008
_cell_length_b 4.28635996
_cell_length_c 64.37281574
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000093000001
_space_group_name_H-M_alt... |
AddAtomAction | 5cdb6c8e-c613-417e-9b33-fae8e3b28bd6 | mp-772150 | Add one Ca atom at the Cartesian coordinate [ 3.156 6.251 13.654] to the cif file. | data_image0
_chemical_formula_structural Li4Ti26O44
_chemical_formula_sum "Li4 Ti26 O44"
_cell_length_a 7.67994716
_cell_length_b 7.67994716
_cell_length_c 14.056681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 97.84195336
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li4Ti26O44Ca
_chemical_formula_sum "Li4 Ti26 O44 Ca1"
_cell_length_a 7.67994716
_cell_length_b 7.67994716
_cell_length_c 14.056681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 97.84195336
_space_group_name_H-M_alt... |
AddAtomAction | 19d51cb2-2a61-44b8-af97-ae926bdfe232 | mp-2232113 | Add one Zn atom at the Cartesian coordinate [10.262 7.082 3.735] to the cif file. | data_image0
_chemical_formula_structural MgFe4Hg2O8
_chemical_formula_sum "Mg1 Fe4 Hg2 O8"
_cell_length_a 6.22845674
_cell_length_b 6.557384129999999
_cell_length_c 6.557384130000001
_cell_angle_alpha 58.85205474
_cell_angle_beta 61.64590332
_cell_angle_gamma 61.64590332
... | data_image0
_chemical_formula_structural MgFe4Hg2O8Zn
_chemical_formula_sum "Mg1 Fe4 Hg2 O8 Zn1"
_cell_length_a 6.22845674
_cell_length_b 6.557384129999999
_cell_length_c 6.557384130000001
_cell_angle_alpha 58.85205474
_cell_angle_beta 61.64590332
_cell_angle_gamma 61.6459... |
AddAtomAction | 2499a2cd-590b-4172-bd5e-cb549c6566c4 | mp-766004 | Add one Md atom at the Cartesian coordinate [0.878 5.262 4.533] to the cif file. | data_image0
_chemical_formula_structural Li8V4C8O24
_chemical_formula_sum "Li8 V4 C8 O24"
_cell_length_a 4.904079
_cell_length_b 13.0407102
_cell_length_c 8.422585780000002
_cell_angle_alpha 100.73298235
_cell_angle_beta 89.99971249000001
_cell_angle_gamma 90.00009645
_sp... | data_image0
_chemical_formula_structural Li8V4C8O24Md
_chemical_formula_sum "Li8 V4 C8 O24 Md1"
_cell_length_a 4.904079
_cell_length_b 13.0407102
_cell_length_c 8.422585780000002
_cell_angle_alpha 100.73298235
_cell_angle_beta 89.99971249000001
_cell_angle_gamma 90.0000964... |
AddAtomAction | eac0b3f0-5071-4839-ba1e-e4e4796a4df9 | mp-2230732 | Add one Br atom at the Cartesian coordinate [4.27 5.993 3.14 ] to the cif file. | data_image0
_chemical_formula_structural MgFe6O11F
_chemical_formula_sum "Mg1 Fe6 O11 F1"
_cell_length_a 4.85946056
_cell_length_b 7.45549383
_cell_length_c 5.51926505
_cell_angle_alpha 95.12245838
_cell_angle_beta 91.52087611
_cell_angle_gamma 88.62284776
_space_group_na... | data_image0
_chemical_formula_structural MgFe6O11FBr
_chemical_formula_sum "Mg1 Fe6 O11 F1 Br1"
_cell_length_a 4.85946056
_cell_length_b 7.45549383
_cell_length_c 5.51926505
_cell_angle_alpha 95.12245838
_cell_angle_beta 91.52087611
_cell_angle_gamma 88.62284776
_space_gr... |
AddAtomAction | ede65114-a5cc-47b9-a11e-38c357c92b07 | mp-2713621 | Add one Re atom at the Cartesian coordinate [0.559 7.051 5.942] to the cif file. | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90.... | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48Re
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48 Re1"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma ... |
AddAtomAction | 543fbf87-6d91-411e-bcb9-9b6e0b5f06c8 | mp-1207428 | Add one U atom at the Cartesian coordinate [2.255 4.682 2.917] to the cif file. | data_image0
_chemical_formula_structural Zr4Ni4As4
_chemical_formula_sum "Zr4 Ni4 As4"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_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 Zr4Ni4As4U
_chemical_formula_sum "Zr4 Ni4 As4 U1"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
AddAtomAction | aa6f5ee9-6e2f-4140-a3c4-c8868efb9b8d | mp-1194492 | Add one Tb atom at the Cartesian coordinate [0.464 3.713 6.831] to the cif file. | data_image0
_chemical_formula_structural Al4Te2S2O18
_chemical_formula_sum "Al4 Te2 S2 O18"
_cell_length_a 9.533672
_cell_length_b 5.032037
_cell_length_c 7.23496088
_cell_angle_alpha 86.72028688999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Al4Te2S2O18Tb
_chemical_formula_sum "Al4 Te2 S2 O18 Tb1"
_cell_length_a 9.533672
_cell_length_b 5.032037
_cell_length_c 7.23496088
_cell_angle_alpha 86.72028688999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
AddAtomAction | eb3c2895-9cd7-481f-8766-7fa7e62bbfa3 | mp-850445 | Add one Er atom at the Cartesian coordinate [19.814 11.673 8.255] to the cif file. | data_image0
_chemical_formula_structural Na6Zn8As6H24O38
_chemical_formula_sum "Na6 Zn8 As6 H24 O38"
_cell_length_a 10.99717487
_cell_length_b 10.99717487
_cell_length_c 10.99717513
_cell_angle_alpha 60.66908433
_cell_angle_beta 60.66908433
_cell_angle_gamma 60.66908747999... | data_image0
_chemical_formula_structural Na6Zn8As6H24O38Er
_chemical_formula_sum "Na6 Zn8 As6 H24 O38 Er1"
_cell_length_a 10.99717487
_cell_length_b 10.99717487
_cell_length_c 10.99717513
_cell_angle_alpha 60.66908433
_cell_angle_beta 60.66908433
_cell_angle_gamma 60.66908... |
AddAtomAction | 5b32fbee-a6ff-40e3-a1c0-ef0ffb46c0e3 | mp-772149 | Add one Yb atom at the Cartesian coordinate [2.027 3.917 1.561] to the cif file. | data_image0
_chemical_formula_structural Sm8Ge8O28
_chemical_formula_sum "Sm8 Ge8 O28"
_cell_length_a 6.90826558
_cell_length_b 6.90239741
_cell_length_c 12.435522049999998
_cell_angle_alpha 93.65715325999999
_cell_angle_beta 91.28990938
_cell_angle_gamma 91.89077831
_spa... | data_image0
_chemical_formula_structural Sm8Ge8O28Yb
_chemical_formula_sum "Sm8 Ge8 O28 Yb1"
_cell_length_a 6.90826558
_cell_length_b 6.90239741
_cell_length_c 12.435522049999998
_cell_angle_alpha 93.65715325999999
_cell_angle_beta 91.28990938
_cell_angle_gamma 91.89077831... |
AddAtomAction | 3d72061c-0c41-449b-aa11-9b1942c8509d | mp-28481 | Add one Pb atom at the Cartesian coordinate [6.108 1.662 3.89 ] to the cif file. | data_image0
_chemical_formula_structural Ti2Cl8O32
_chemical_formula_sum "Ti2 Cl8 O32"
_cell_length_a 7.36965456
_cell_length_b 7.36959662
_cell_length_c 12.98710817
_cell_angle_alpha 73.70079455
_cell_angle_beta 73.7011985
_cell_angle_gamma 64.01522777
_space_group_name_... | data_image0
_chemical_formula_structural Ti2Cl8O32Pb
_chemical_formula_sum "Ti2 Cl8 O32 Pb1"
_cell_length_a 7.36965456
_cell_length_b 7.36959662
_cell_length_c 12.98710817
_cell_angle_alpha 73.70079455
_cell_angle_beta 73.7011985
_cell_angle_gamma 64.01522777
_space_group... |
AddAtomAction | 537c31f6-b5c0-456b-bf86-97d2ad3c59cc | mp-765641 | Add one Ge atom at the Cartesian coordinate [1.537 7.732 2.393] to the cif file. | data_image0
_chemical_formula_structural Li8Fe8P8O32
_chemical_formula_sum "Li8 Fe8 P8 O32"
_cell_length_a 4.935367
_cell_length_b 7.702235
_cell_length_c 18.4794473
_cell_angle_alpha 89.25448525
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li8Fe8P8O32Ge
_chemical_formula_sum "Li8 Fe8 P8 O32 Ge1"
_cell_length_a 4.935367
_cell_length_b 7.702235
_cell_length_c 18.4794473
_cell_angle_alpha 89.25448525
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
AddAtomAction | 43d4bc84-e2a8-4f35-891f-ebda647adafc | mp-1192384 | Add one Hs atom at the Cartesian coordinate [0.981 1.643 3.205] to the cif file. | data_image0
_chemical_formula_structural Dy4W4Br4O16
_chemical_formula_sum "Dy4 W4 Br4 O16"
_cell_length_a 6.994129
_cell_length_b 7.32133539
_cell_length_c 11.08389912
_cell_angle_alpha 104.39430596000001
_cell_angle_beta 107.88295586
_cell_angle_gamma 93.82427121
_space... | data_image0
_chemical_formula_structural Dy4W4Br4O16Hs
_chemical_formula_sum "Dy4 W4 Br4 O16 Hs1"
_cell_length_a 6.994129
_cell_length_b 7.32133539
_cell_length_c 11.08389912
_cell_angle_alpha 104.39430596000001
_cell_angle_beta 107.88295586
_cell_angle_gamma 93.82427121
... |
AddAtomAction | a41e660c-3090-4da9-ad95-90d5835b90a5 | mp-1200475 | Add one Md atom at the Cartesian coordinate [0.83 1.462 7.812] to the cif file. | data_image0
_chemical_formula_structural U2B16O34
_chemical_formula_sum "U2 B16 O34"
_cell_length_a 8.97706869
_cell_length_b 8.97706869
_cell_length_c 11.125183349999999
_cell_angle_alpha 89.98961474
_cell_angle_beta 89.98961474
_cell_angle_gamma 136.85945971
_space_grou... | data_image0
_chemical_formula_structural U2B16O34Md
_chemical_formula_sum "U2 B16 O34 Md1"
_cell_length_a 8.97706869
_cell_length_b 8.97706869
_cell_length_c 11.125183349999999
_cell_angle_alpha 89.98961474
_cell_angle_beta 89.98961474
_cell_angle_gamma 136.85945971
_spac... |
AddAtomAction | 7d91ccb6-e127-46f8-b66a-f762e01b08fd | mp-1205859 | Add one Os atom at the Cartesian coordinate [-2.516 2.082 3.803] to the cif file. | data_image0
_chemical_formula_structural KRb2PdF6
_chemical_formula_sum "K1 Rb2 Pd1 F6"
_cell_length_a 6.383033
_cell_length_b 6.383033
_cell_length_c 6.53945419
_cell_angle_alpha 119.21184546000002
_cell_angle_beta 119.21184546000002
_cell_angle_gamma 90.0
_space_group_n... | data_image0
_chemical_formula_structural KRb2PdF6Os
_chemical_formula_sum "K1 Rb2 Pd1 F6 Os1"
_cell_length_a 6.383033
_cell_length_b 6.383033
_cell_length_c 6.53945419
_cell_angle_alpha 119.21184546000002
_cell_angle_beta 119.21184546000002
_cell_angle_gamma 90.0
_space_g... |
AddAtomAction | f1c080b9-af48-4220-a3ce-8d2762f4e5a4 | mp-1233985 | Add one La atom at the Cartesian coordinate [7.998 3.251 5.188] to the cif file. | data_image0
_chemical_formula_structural Ba10MgAs6Cl2O24
_chemical_formula_sum "Ba10 Mg1 As6 Cl2 O24"
_cell_length_a 10.77824621
_cell_length_b 10.77414381
_cell_length_c 8.31184086
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.07563411999999
_space_g... | data_image0
_chemical_formula_structural Ba10MgAs6Cl2O24La
_chemical_formula_sum "Ba10 Mg1 As6 Cl2 O24 La1"
_cell_length_a 10.77824621
_cell_length_b 10.77414381
_cell_length_c 8.31184086
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.07563411999999
_s... |
AddAtomAction | 61a967be-5e8c-41a8-8c2f-5af2541a5e98 | mp-762220 | Add one Xe atom at the Cartesian coordinate [1.91 0.433 2.531] to the cif file. | data_image0
_chemical_formula_structural Li8Cu8P8O32
_chemical_formula_sum "Li8 Cu8 P8 O32"
_cell_length_a 5.471277
_cell_length_b 7.589947
_cell_length_c 15.418015
_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 Li8Cu8P8O32Xe
_chemical_formula_sum "Li8 Cu8 P8 O32 Xe1"
_cell_length_a 5.471277
_cell_length_b 7.589947
_cell_length_c 15.418015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
AddAtomAction | 76ff9372-d2b3-44da-a30f-060e56e30168 | mp-1191086 | Add one As atom at the Cartesian coordinate [-1.213 3.181 0.286] to the cif file. | data_image0
_chemical_formula_structural Nd2Mn3Cu9P7
_chemical_formula_sum "Nd2 Mn3 Cu9 P7"
_cell_length_a 9.52202874
_cell_length_b 9.522028740000001
_cell_length_c 3.826614
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000515
_space_group_name_H-M... | data_image0
_chemical_formula_structural Nd2Mn3Cu9P7As
_chemical_formula_sum "Nd2 Mn3 Cu9 P7 As1"
_cell_length_a 9.52202874
_cell_length_b 9.522028740000001
_cell_length_c 3.826614
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000515
_space_group_na... |
AddAtomAction | f397994b-3588-4b13-903a-e09a00fd9fb4 | mp-754801 | Add one Sc atom at the Cartesian coordinate [6.633 2.03 2.013] to the cif file. | data_image0
_chemical_formula_structural Li3Ti6O13
_chemical_formula_sum "Li3 Ti6 O13"
_cell_length_a 6.33971566
_cell_length_b 6.33971566
_cell_length_c 10.51469228
_cell_angle_alpha 79.81631376
_cell_angle_beta 79.81631376
_cell_angle_gamma 36.54374927999999
_space_grou... | data_image0
_chemical_formula_structural Li3Ti6O13Sc
_chemical_formula_sum "Li3 Ti6 O13 Sc1"
_cell_length_a 6.33971566
_cell_length_b 6.33971566
_cell_length_c 10.51469228
_cell_angle_alpha 79.81631376
_cell_angle_beta 79.81631376
_cell_angle_gamma 36.54374927999999
_spac... |
AddAtomAction | 57392c1d-8b9c-47ca-938d-e390b2fc86b9 | mp-540267 | Add one Tb atom at the Cartesian coordinate [1.709 0.499 2.106] to the cif file. | data_image0
_chemical_formula_structural Cr2P4O14
_chemical_formula_sum "Cr2 P4 O14"
_cell_length_a 6.335876
_cell_length_b 6.415262979999999
_cell_length_c 6.90502087
_cell_angle_alpha 89.08847891
_cell_angle_beta 113.74398703
_cell_angle_gamma 94.57539448
_space_group_n... | data_image0
_chemical_formula_structural Cr2P4O14Tb
_chemical_formula_sum "Cr2 P4 O14 Tb1"
_cell_length_a 6.335876
_cell_length_b 6.415262979999999
_cell_length_c 6.90502087
_cell_angle_alpha 89.08847891
_cell_angle_beta 113.74398703
_cell_angle_gamma 94.57539448
_space_g... |
AddAtomAction | 1fd12f5d-f064-41c7-8486-f8978f4925a7 | mp-11609 | Add one Pm atom at the Cartesian coordinate [0.089 0.486 7.295] 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 Sb2Mo4S4Pm
_chemical_formula_sum "Sb2 Mo4 S4 Pm1"
_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 | 10ffc098-7627-47d7-a1bd-5ca4854fc2d9 | mp-753734 | Add one O atom at the Cartesian coordinate [-1.778 3.342 1.048] to the cif file. | data_image0
_chemical_formula_structural Mn4Cr2O12
_chemical_formula_sum "Mn4 Cr2 O12"
_cell_length_a 5.07693485
_cell_length_b 5.07693485
_cell_length_c 9.610523
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19455249
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Mn4Cr2O13
_chemical_formula_sum "Mn4 Cr2 O13"
_cell_length_a 5.07693485
_cell_length_b 5.07693485
_cell_length_c 9.610523
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19455249
_space_group_name_H-M_alt "P 1... |
AddAtomAction | 340b4e82-be9f-45b0-b5c3-5de3db695caa | mp-24473 | Add one Pt atom at the Cartesian coordinate [4.006 5.536 6.513] to the cif file. | data_image0
_chemical_formula_structural Be4P4H16N4O16
_chemical_formula_sum "Be4 P4 H16 N4 O16"
_cell_length_a 4.92650173
_cell_length_b 8.58708058
_cell_length_c 8.70990538
_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 Be4P4H16N4O16Pt
_chemical_formula_sum "Be4 P4 H16 N4 O16 Pt1"
_cell_length_a 4.92650173
_cell_length_b 8.58708058
_cell_length_c 8.70990538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
AddAtomAction | 403d0b47-fa35-4f1c-8447-291a2d216cd6 | mp-2230050 | Add one I atom at the Cartesian coordinate [3.618 4.182 7.51 ] 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 MgFe6O6F6I
_chemical_formula_sum "Mg1 Fe6 O6 F6 I1"
_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 | 8a5b6aca-f6a9-4577-b68e-4224ecaed9da | mp-1516542 | Add one Eu atom at the Cartesian coordinate [6.823 3.807 2.701] to the cif file. | data_image0
_chemical_formula_structural BaCaCeNbO6
_chemical_formula_sum "Ba1 Ca1 Ce1 Nb1 O6"
_cell_length_a 6.07376453
_cell_length_b 6.07376453
_cell_length_c 6.07376453
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... | data_image0
_chemical_formula_structural BaCaCeNbO6Eu
_chemical_formula_sum "Ba1 Ca1 Ce1 Nb1 O6 Eu1"
_cell_length_a 6.07376453
_cell_length_b 6.07376453
_cell_length_c 6.07376453
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9... |
AddAtomAction | a2f403dd-f947-4048-bb11-1a02428b48f7 | mp-553374 | Add one B atom at the Cartesian coordinate [3.004 3.926 7.525] to the cif file. | data_image0
_chemical_formula_structural Cs4Sb2O5
_chemical_formula_sum "Cs4 Sb2 O5"
_cell_length_a 6.37456796
_cell_length_b 6.37457746
_cell_length_c 8.16299331
_cell_angle_alpha 82.39049071
_cell_angle_beta 82.39056568
_cell_angle_gamma 66.18520179
_space_group_name_H-... | data_image0
_chemical_formula_structural Cs4Sb2O5B
_chemical_formula_sum "Cs4 Sb2 O5 B1"
_cell_length_a 6.37456796
_cell_length_b 6.37457746
_cell_length_c 8.16299331
_cell_angle_alpha 82.39049071
_cell_angle_beta 82.39056568
_cell_angle_gamma 66.18520179
_space_group_nam... |
AddAtomAction | e178ee91-acf9-42cc-b2ef-c2240a8fa1b7 | mp-1029063 | Add one Sr atom at the Cartesian coordinate [ 2.206 1.186 34.534] to the cif file. | data_image0
_chemical_formula_structural Te2Mo2W2Se2S4
_chemical_formula_sum "Te2 Mo2 W2 Se2 S4"
_cell_length_a 3.30870784
_cell_length_b 3.3087078400000003
_cell_length_c 37.645413
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999685
_space_group_n... | data_image0
_chemical_formula_structural Te2Mo2W2Se2S4Sr
_chemical_formula_sum "Te2 Mo2 W2 Se2 S4 Sr1"
_cell_length_a 3.30870784
_cell_length_b 3.3087078400000003
_cell_length_c 37.645413
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999685
_space_g... |
AddAtomAction | 5577f1d4-7306-401f-9f8a-225b977b8b57 | mp-1228248 | Add one N atom at the Cartesian coordinate [ 1.037 2.199 17.934] to the cif file. | data_image0
_chemical_formula_structural Ba4NdYCu8O16
_chemical_formula_sum "Ba4 Nd1 Y1 Cu8 O16"
_cell_length_a 3.922374
_cell_length_b 3.926894
_cell_length_c 27.543314
_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 Ba4NdYCu8O16N
_chemical_formula_sum "Ba4 Nd1 Y1 Cu8 O16 N1"
_cell_length_a 3.922374
_cell_length_b 3.926894
_cell_length_c 27.543314
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
AddAtomAction | 7367ce0c-7d1c-4496-8341-a9d1cd3d4d91 | mp-861986 | Add one Rh atom at the Cartesian coordinate [-1.717 3.44 1.732] to the cif file. | data_image0
_chemical_formula_structural Pr10Al4Ru6
_chemical_formula_sum "Pr10 Al4 Ru6"
_cell_length_a 8.57985719
_cell_length_b 8.57985719
_cell_length_c 8.57985719
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... | data_image0
_chemical_formula_structural Pr10Al4Ru6Rh
_chemical_formula_sum "Pr10 Al4 Ru6 Rh1"
_cell_length_a 8.57985719
_cell_length_b 8.57985719
_cell_length_c 8.57985719
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_... |
AddAtomAction | db3d88a4-a82e-4da2-9c22-167a42737c71 | mp-29717 | Add one Nd atom at the Cartesian coordinate [13.176 8.692 13.111] to the cif file. | data_image0
_chemical_formula_structural Ag4W24Br56
_chemical_formula_sum "Ag4 W24 Br56"
_cell_length_a 13.761003
_cell_length_b 13.761003
_cell_length_c 13.761003
_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 Ag4W24Br56Nd
_chemical_formula_sum "Ag4 W24 Br56 Nd1"
_cell_length_a 13.761003
_cell_length_b 13.761003
_cell_length_c 13.761003
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
AddAtomAction | f2ca867c-9cb9-4259-9a18-301fe96e7000 | mp-1244893 | Add one Lu atom at the Cartesian coordinate [ 6.512 2.48 45.267] to the cif file. | data_image0
_chemical_formula_structural Al32O12
_chemical_formula_sum "Al32 O12"
_cell_length_a 5.73023793
_cell_length_b 5.73829885
_cell_length_c 49.64508371
_cell_angle_alpha 92.01092030000001
_cell_angle_beta 91.56035934999998
_cell_angle_gamma 59.58455244000002
_spa... | data_image0
_chemical_formula_structural Al32O12Lu
_chemical_formula_sum "Al32 O12 Lu1"
_cell_length_a 5.73023793
_cell_length_b 5.73829885
_cell_length_c 49.64508371
_cell_angle_alpha 92.01092030000001
_cell_angle_beta 91.56035934999998
_cell_angle_gamma 59.58455244000002... |
AddAtomAction | 10b1f3f8-3c2d-4723-ad97-46b2ef2da502 | mp-26220 | Add one Si atom at the Cartesian coordinate [0.881 0.964 3.862] to the cif file. | data_image0
_chemical_formula_structural Mn2P2O8
_chemical_formula_sum "Mn2 P2 O8"
_cell_length_a 4.72858699
_cell_length_b 4.72858125
_cell_length_c 6.571448999999999
_cell_angle_alpha 89.99848461
_cell_angle_beta 90.00121092999998
_cell_angle_gamma 68.34928989
_space_gr... | data_image0
_chemical_formula_structural Mn2P2O8Si
_chemical_formula_sum "Mn2 P2 O8 Si1"
_cell_length_a 4.72858699
_cell_length_b 4.72858125
_cell_length_c 6.571448999999999
_cell_angle_alpha 89.99848461
_cell_angle_beta 90.00121092999998
_cell_angle_gamma 68.34928989
_sp... |
AddAtomAction | 9aa4e092-e1ff-47a1-9b96-ab0df2ae8163 | mp-1026887 | Add one Te atom at the Cartesian coordinate [2.222 1.451 0.02 ] to the cif file. | data_image0
_chemical_formula_structural Mg14CuC
_chemical_formula_sum "Mg14 Cu1 C1"
_cell_length_a 6.14614547
_cell_length_b 6.146145009999999
_cell_length_c 9.85098463
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000243999999
_space_group_name_H-... | data_image0
_chemical_formula_structural Mg14CuCTe
_chemical_formula_sum "Mg14 Cu1 C1 Te1"
_cell_length_a 6.14614547
_cell_length_b 6.146145009999999
_cell_length_c 9.85098463
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000243999999
_space_group_n... |
AddAtomAction | 34065f71-8819-40a9-9bce-63e0ba5dc46e | mp-1208367 | Add one W atom at the Cartesian coordinate [3.295 2.043 0.119] to the cif file. | data_image0
_chemical_formula_structural Th6Co8Sn26
_chemical_formula_sum "Th6 Co8 Sn26"
_cell_length_a 9.64449
_cell_length_b 9.64449
_cell_length_c 9.64449
_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 Th6Co8Sn26W
_chemical_formula_sum "Th6 Co8 Sn26 W1"
_cell_length_a 9.64449
_cell_length_b 9.64449
_cell_length_c 9.64449
_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 | 5b0190dd-5085-459f-ba00-ebe9018be150 | mp-1233593 | Add one La atom at the Cartesian coordinate [4.243 2.24 0.476] to the cif file. | data_image0
_chemical_formula_structural Ho2MgAg2W4O16
_chemical_formula_sum "Ho2 Mg1 Ag2 W4 O16"
_cell_length_a 7.46856282
_cell_length_b 8.0684189
_cell_length_c 7.43717596
_cell_angle_alpha 95.01467005
_cell_angle_beta 111.79078315999999
_cell_angle_gamma 120.0378453399... | data_image0
_chemical_formula_structural Ho2MgAg2W4O16La
_chemical_formula_sum "Ho2 Mg1 Ag2 W4 O16 La1"
_cell_length_a 7.46856282
_cell_length_b 8.0684189
_cell_length_c 7.43717596
_cell_angle_alpha 95.01467005
_cell_angle_beta 111.79078315999999
_cell_angle_gamma 120.0378... |
AddAtomAction | 7346cb6f-5f38-462c-bef8-b157d543760f | mp-758323 | Add one Ir atom at the Cartesian coordinate [4.158 4.835 3.083] to the cif file. | data_image0
_chemical_formula_structural Li2Ti3CoP6O24
_chemical_formula_sum "Li2 Ti3 Co1 P6 O24"
_cell_length_a 8.64736777
_cell_length_b 8.64736777
_cell_length_c 8.6473677
_cell_angle_alpha 59.35002677
_cell_angle_beta 59.35002677
_cell_angle_gamma 59.35002351
_space_g... | data_image0
_chemical_formula_structural Li2Ti3CoP6O24Ir
_chemical_formula_sum "Li2 Ti3 Co1 P6 O24 Ir1"
_cell_length_a 8.64736777
_cell_length_b 8.64736777
_cell_length_c 8.6473677
_cell_angle_alpha 59.35002677
_cell_angle_beta 59.35002677
_cell_angle_gamma 59.35002351
_s... |
AddAtomAction | a5e198a9-b4d5-46a6-ab19-42edd20d5896 | mp-1181784 | Add one Pr atom at the Cartesian coordinate [2.396 4.423 3.279] to the cif file. | data_image0
_chemical_formula_structural K2MgMo2H4O10
_chemical_formula_sum "K2 Mg1 Mo2 H4 O10"
_cell_length_a 6.00896235
_cell_length_b 6.5502693999999995
_cell_length_c 7.9563935500000005
_cell_angle_alpha 111.39242719
_cell_angle_beta 96.77130034
_cell_angle_gamma 109.0... | data_image0
_chemical_formula_structural K2MgMo2H4O10Pr
_chemical_formula_sum "K2 Mg1 Mo2 H4 O10 Pr1"
_cell_length_a 6.00896235
_cell_length_b 6.5502693999999995
_cell_length_c 7.9563935500000005
_cell_angle_alpha 111.39242719
_cell_angle_beta 96.77130034
_cell_angle_gamma ... |
AddAtomAction | 14eaef13-666e-4fd9-9f8f-9db7409db940 | mp-6192 | Add one Mn atom at the Cartesian coordinate [3.606 0.089 0.21 ] to the cif file. | data_image0
_chemical_formula_structural Ba2DySbO6
_chemical_formula_sum "Ba2 Dy1 Sb1 O6"
_cell_length_a 6.02709395
_cell_length_b 6.027093950000001
_cell_length_c 6.027093950000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59... | data_image0
_chemical_formula_structural Ba2DySbO6Mn
_chemical_formula_sum "Ba2 Dy1 Sb1 O6 Mn1"
_cell_length_a 6.02709395
_cell_length_b 6.027093950000001
_cell_length_c 6.027093950000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 59.99999999999999
_cell_angle_gamma... |
AddAtomAction | 14dfeac8-4703-44df-b9db-80a304bf18f0 | mp-776235 | Add one Y atom at the Cartesian coordinate [ 1.837 5.144 12.454] to the cif file. | data_image0
_chemical_formula_structural Zr8N8O4
_chemical_formula_sum "Zr8 N8 O4"
_cell_length_a 3.123818
_cell_length_b 5.575557
_cell_length_c 13.840907
_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 Zr8N8O4Y
_chemical_formula_sum "Zr8 N8 O4 Y1"
_cell_length_a 3.123818
_cell_length_b 5.575557
_cell_length_c 13.840907
_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 | 974a87ae-eb89-4d60-9be8-e0332764ff36 | mp-1206879 | Add one Mc atom at the Cartesian coordinate [4.315 0.435 3.786] to the cif file. | data_image0
_chemical_formula_structural K3AuF6
_chemical_formula_sum "K3 Au1 F6"
_cell_length_a 6.98100443
_cell_length_b 8.31863474
_cell_length_c 7.00696936
_cell_angle_alpha 126.91821042999999
_cell_angle_beta 74.76018993
_cell_angle_gamma 98.19393981999998
_space_gro... | data_image0
_chemical_formula_structural K3AuF6Mc
_chemical_formula_sum "K3 Au1 F6 Mc1"
_cell_length_a 6.98100443
_cell_length_b 8.31863474
_cell_length_c 7.00696936
_cell_angle_alpha 126.91821042999999
_cell_angle_beta 74.76018993
_cell_angle_gamma 98.19393981999998
_spa... |
AddAtomAction | d6d4da9a-aad8-4201-aa69-def15367ef07 | mp-756638 | Add one Rf atom at the Cartesian coordinate [0.194 2.209 1.306] to the cif file. | data_image0
_chemical_formula_structural Nb2Rh2O8
_chemical_formula_sum "Nb2 Rh2 O8"
_cell_length_a 5.63372957
_cell_length_b 5.63372918
_cell_length_c 5.6337248
_cell_angle_alpha 106.66258274999998
_cell_angle_beta 106.66258935999998
_cell_angle_gamma 115.24752548999999
... | data_image0
_chemical_formula_structural Nb2Rh2O8Rf
_chemical_formula_sum "Nb2 Rh2 O8 Rf1"
_cell_length_a 5.63372957
_cell_length_b 5.63372918
_cell_length_c 5.6337248
_cell_angle_alpha 106.66258274999998
_cell_angle_beta 106.66258935999998
_cell_angle_gamma 115.2475254899... |
AddAtomAction | daffdb81-41c5-4b8e-9e09-082bea63af33 | mp-567505 | Add one Po atom at the Cartesian coordinate [1.544 0.413 3.936] to the cif file. | data_image0
_chemical_formula_structural Si8C8
_chemical_formula_sum "Si8 C8"
_cell_length_a 3.07718443
_cell_length_b 3.0771829699999995
_cell_length_c 20.12563135
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998351
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Si8C8Po
_chemical_formula_sum "Si8 C8 Po1"
_cell_length_a 3.07718443
_cell_length_b 3.0771829699999995
_cell_length_c 20.12563135
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998351
_space_group_name_H-M_alt... |
AddAtomAction | 633941b0-f43b-4e1f-b20c-b015ef5950eb | mp-755181 | Add one Li atom at the Cartesian coordinate [4.573 4.397 1.552] to the cif file. | data_image0
_chemical_formula_structural V4O5F7
_chemical_formula_sum "V4 O5 F7"
_cell_length_a 5.12574628
_cell_length_b 5.22331207
_cell_length_c 8.79028543
_cell_angle_alpha 74.68223174
_cell_angle_beta 90.24159362
_cell_angle_gamma 60.52764890000001
_space_group_name_... | data_image0
_chemical_formula_structural V4O5F7Li
_chemical_formula_sum "V4 O5 F7 Li1"
_cell_length_a 5.12574628
_cell_length_b 5.22331207
_cell_length_c 8.79028543
_cell_angle_alpha 74.68223174
_cell_angle_beta 90.24159362
_cell_angle_gamma 60.52764890000001
_space_group... |
AddAtomAction | 9ca0ac1b-5333-496e-b3ba-8ec2f12b2c02 | mp-559052 | Add one B atom at the Cartesian coordinate [8.982 6.372 3.913] to the cif file. | data_image0
_chemical_formula_structural Li2Nb6Bi8O28
_chemical_formula_sum "Li2 Nb6 Bi8 O28"
_cell_length_a 7.6946639
_cell_length_b 7.6946639
_cell_length_c 12.25300206
_cell_angle_alpha 80.05054554
_cell_angle_beta 80.05054554
_cell_angle_gamma 60.84877041
_space_group... | data_image0
_chemical_formula_structural Li2Nb6Bi8O28B
_chemical_formula_sum "Li2 Nb6 Bi8 O28 B1"
_cell_length_a 7.6946639
_cell_length_b 7.6946639
_cell_length_c 12.25300206
_cell_angle_alpha 80.05054554
_cell_angle_beta 80.05054554
_cell_angle_gamma 60.84877041
_space_g... |
AddAtomAction | ffd36a6c-ee5b-4365-815c-d0f03629f0dc | mp-1095574 | Add one B atom at the Cartesian coordinate [3.997 0.286 5.543] to the cif file. | data_image0
_chemical_formula_structural Ce4Ga4Ag4
_chemical_formula_sum "Ce4 Ga4 Ag4"
_cell_length_a 4.682808
_cell_length_b 7.476301
_cell_length_c 7.790775
_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 Ce4Ga4Ag4B
_chemical_formula_sum "Ce4 Ga4 Ag4 B1"
_cell_length_a 4.682808
_cell_length_b 7.476301
_cell_length_c 7.790775
_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 | 2cce4db6-3e79-4e59-852c-975917bc87b5 | mp-1228452 | Add one Re atom at the Cartesian coordinate [3. 2.973 1.495] to the cif file. | data_image0
_chemical_formula_structural Ba3Ti3Fe3Bi2O18
_chemical_formula_sum "Ba3 Ti3 Fe3 Bi2 O18"
_cell_length_a 5.63716603
_cell_length_b 5.63716603
_cell_length_c 13.886766
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000038999998
_space_group... | data_image0
_chemical_formula_structural Ba3Ti3Fe3Bi2O18Re
_chemical_formula_sum "Ba3 Ti3 Fe3 Bi2 O18 Re1"
_cell_length_a 5.63716603
_cell_length_b 5.63716603
_cell_length_c 13.886766
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000038999998
_space... |
AddAtomAction | 6e637c2c-6f07-4191-824b-b6519c3ebd58 | mp-1203334 | Add one Sn atom at the Cartesian coordinate [3.824 1.473 0.187] to the cif file. | data_image0
_chemical_formula_structural B4P4H36N12
_chemical_formula_sum "B4 P4 H36 N12"
_cell_length_a 9.675927
_cell_length_b 6.254514
_cell_length_c 9.71787723
_cell_angle_alpha 78.65079318
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural B4P4H36N12Sn
_chemical_formula_sum "B4 P4 H36 N12 Sn1"
_cell_length_a 9.675927
_cell_length_b 6.254514
_cell_length_c 9.71787723
_cell_angle_alpha 78.65079318
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | f591f8ba-be33-43e3-b752-c9812024fbd8 | mp-753577 | Add one Re atom at the Cartesian coordinate [5.077 0.828 4.616] to the cif file. | data_image0
_chemical_formula_structural Li2Co4P4O16
_chemical_formula_sum "Li2 Co4 P4 O16"
_cell_length_a 5.48537801
_cell_length_b 7.78633755
_cell_length_c 8.53874691
_cell_angle_alpha 103.7206634
_cell_angle_beta 90.00693515
_cell_angle_gamma 89.99930069
_space_group_... | data_image0
_chemical_formula_structural Li2Co4P4O16Re
_chemical_formula_sum "Li2 Co4 P4 O16 Re1"
_cell_length_a 5.48537801
_cell_length_b 7.78633755
_cell_length_c 8.53874691
_cell_angle_alpha 103.7206634
_cell_angle_beta 90.00693515
_cell_angle_gamma 89.99930069
_space_... |
AddAtomAction | 5ff2e156-254c-4a63-97c0-b87733749506 | mp-758186 | Add one Rh atom at the Cartesian coordinate [6.315 3.149 7.483] to the cif file. | data_image0
_chemical_formula_structural Li12Fe4P8O32
_chemical_formula_sum "Li12 Fe4 P8 O32"
_cell_length_a 10.367151
_cell_length_b 8.217866
_cell_length_c 8.31371751
_cell_angle_alpha 74.95900952
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li12Fe4P8O32Rh
_chemical_formula_sum "Li12 Fe4 P8 O32 Rh1"
_cell_length_a 10.367151
_cell_length_b 8.217866
_cell_length_c 8.31371751
_cell_angle_alpha 74.95900952
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
AddAtomAction | db8706da-182b-4e02-a4da-9bdc1bb4065c | mp-1196543 | Add one Md atom at the Cartesian coordinate [ 3.922 -0.142 4.821] to the cif file. | data_image0
_chemical_formula_structural Ga40Mo8C
_chemical_formula_sum "Ga40 Mo8 C1"
_cell_length_a 9.5569173
_cell_length_b 9.5569173
_cell_length_c 9.55691725
_cell_angle_alpha 94.10402885
_cell_angle_beta 94.10402885
_cell_angle_gamma 94.10402928
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ga40Mo8CMd
_chemical_formula_sum "Ga40 Mo8 C1 Md1"
_cell_length_a 9.5569173
_cell_length_b 9.5569173
_cell_length_c 9.55691725
_cell_angle_alpha 94.10402885
_cell_angle_beta 94.10402885
_cell_angle_gamma 94.10402928
_space_group_na... |
AddAtomAction | 8573ea1f-402c-4f54-b938-e92d66b70676 | mp-625502 | Add one Ts atom at the Cartesian coordinate [ 3.573 -2.064 4.151] to the cif file. | data_image0
_chemical_formula_structural H4W4O14
_chemical_formula_sum "H4 W4 O14"
_cell_length_a 7.35320502
_cell_length_b 7.35320502
_cell_length_c 7.35320502
_cell_angle_alpha 119.62842942999998
_cell_angle_beta 119.62842942999998
_cell_angle_gamma 90.64479304999999
_s... | data_image0
_chemical_formula_structural H4W4O14Ts
_chemical_formula_sum "H4 W4 O14 Ts1"
_cell_length_a 7.35320502
_cell_length_b 7.35320502
_cell_length_c 7.35320502
_cell_angle_alpha 119.62842942999998
_cell_angle_beta 119.62842942999998
_cell_angle_gamma 90.644793049999... |
AddAtomAction | fb649fd4-68a6-4701-b366-ff6960fa38c5 | mp-780492 | Add one Rb atom at the Cartesian coordinate [5.125 4.984 7.946] to the cif file. | data_image0
_chemical_formula_structural Li4VP6H8O22
_chemical_formula_sum "Li4 V1 P6 H8 O22"
_cell_length_a 7.001583
_cell_length_b 7.55078302
_cell_length_c 8.50755926
_cell_angle_alpha 84.74528847
_cell_angle_beta 76.60182785999999
_cell_angle_gamma 85.81388336000002
_... | data_image0
_chemical_formula_structural Li4VP6H8O22Rb
_chemical_formula_sum "Li4 V1 P6 H8 O22 Rb1"
_cell_length_a 7.001583
_cell_length_b 7.55078302
_cell_length_c 8.50755926
_cell_angle_alpha 84.74528847
_cell_angle_beta 76.60182785999999
_cell_angle_gamma 85.81388336000... |
AddAtomAction | 9144697e-ceb3-471a-9a1d-bfb79026f7da | mp-1204112 | Add one In atom at the Cartesian coordinate [1.802 4.295 5.332] to the cif file. | data_image0
_chemical_formula_structural Sn2H8S12N12Cl12
_chemical_formula_sum "Sn2 H8 S12 N12 Cl12"
_cell_length_a 13.290174
_cell_length_b 7.36416
_cell_length_c 11.930420559999998
_cell_angle_alpha 57.87495880999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... | data_image0
_chemical_formula_structural Sn2H8S12N12Cl12In
_chemical_formula_sum "Sn2 H8 S12 N12 Cl12 In1"
_cell_length_a 13.290174
_cell_length_b 7.36416
_cell_length_c 11.930420559999998
_cell_angle_alpha 57.87495880999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_s... |
AddAtomAction | d9776271-6a6a-450a-9408-658994cf7f19 | mp-29452 | Add one Al atom at the Cartesian coordinate [ 0.565 10.778 4.935] to the cif file. | data_image0
_chemical_formula_structural Sc8B2Cl12
_chemical_formula_sum "Sc8 B2 Cl12"
_cell_length_a 3.60292348
_cell_length_b 11.85957314
_cell_length_c 12.279586710000002
_cell_angle_alpha 89.99905886
_cell_angle_beta 90.00002933
_cell_angle_gamma 89.99999559999999
_sp... | data_image0
_chemical_formula_structural Sc8B2Cl12Al
_chemical_formula_sum "Sc8 B2 Cl12 Al1"
_cell_length_a 3.60292348
_cell_length_b 11.85957314
_cell_length_c 12.279586710000002
_cell_angle_alpha 89.99905886
_cell_angle_beta 90.00002933
_cell_angle_gamma 89.9999955999999... |
AddAtomAction | 32773031-ddd4-4ac0-b46f-028f656bb030 | mp-1209131 | Add one Se atom at the Cartesian coordinate [ 6.026 1.477 17.029] to the cif file. | data_image0
_chemical_formula_structural Sn27Pd39
_chemical_formula_sum "Sn27 Pd39"
_cell_length_a 8.98541109
_cell_length_b 8.98541109
_cell_length_c 17.134762
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999327
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Sn27Pd39Se
_chemical_formula_sum "Sn27 Pd39 Se1"
_cell_length_a 8.98541109
_cell_length_b 8.98541109
_cell_length_c 17.134762
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999327
_space_group_name_H-M_alt ... |
AddAtomAction | 28f7671d-8c00-4b1a-8ab6-bc5bfedace64 | mp-1245513 | Add one Kr atom at the Cartesian coordinate [4.578 0.717 0.947] to the cif file. | data_image0
_chemical_formula_structural Fe16Te12N8
_chemical_formula_sum "Fe16 Te12 N8"
_cell_length_a 6.179044
_cell_length_b 10.515917
_cell_length_c 9.10105
_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 Fe16Te12N8Kr
_chemical_formula_sum "Fe16 Te12 N8 Kr1"
_cell_length_a 6.179044
_cell_length_b 10.515917
_cell_length_c 9.10105
_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 | f86ee872-2cbb-4a69-8d1a-cb0dbfb62875 | mp-1207969 | Add one Na atom at the Cartesian coordinate [0.169 6.338 6.835] to the cif file. | data_image0
_chemical_formula_structural Y2Co2C12N12O10
_chemical_formula_sum "Y2 Co2 C12 N12 O10"
_cell_length_a 7.57012786
_cell_length_b 7.57012786
_cell_length_c 12.859381
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999880000001
_space_group_n... | data_image0
_chemical_formula_structural Y2Co2C12N12O10Na
_chemical_formula_sum "Y2 Co2 C12 N12 O10 Na1"
_cell_length_a 7.57012786
_cell_length_b 7.57012786
_cell_length_c 12.859381
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999880000001
_space_g... |
AddAtomAction | 10a317ae-a74a-4e58-92ed-eecc4021f0e8 | mp-773191 | Add one Cu atom at the Cartesian coordinate [6.667 3.482 2.746] to the cif file. | data_image0
_chemical_formula_structural Li6Cr3Sb3O16
_chemical_formula_sum "Li6 Cr3 Sb3 O16"
_cell_length_a 6.04711615
_cell_length_b 6.04711615
_cell_length_c 10.02636895
_cell_angle_alpha 89.85000666000002
_cell_angle_beta 89.85000666000002
_cell_angle_gamma 60.31100107... | data_image0
_chemical_formula_structural Li6Cr3Sb3O16Cu
_chemical_formula_sum "Li6 Cr3 Sb3 O16 Cu1"
_cell_length_a 6.04711615
_cell_length_b 6.04711615
_cell_length_c 10.02636895
_cell_angle_alpha 89.85000666000002
_cell_angle_beta 89.85000666000002
_cell_angle_gamma 60.31... |
AddAtomAction | 9ceed4c7-b16a-4726-8aa9-318518355df7 | mp-776267 | Add one Cn atom at the Cartesian coordinate [3.854 4.295 8.973] to the cif file. | data_image0
_chemical_formula_structural Li4Mn3Cr3W2O16
_chemical_formula_sum "Li4 Mn3 Cr3 W2 O16"
_cell_length_a 6.03107707
_cell_length_b 6.03107707
_cell_length_c 9.78220422
_cell_angle_alpha 88.63430513
_cell_angle_beta 88.63430513
_cell_angle_gamma 60.00148019000001
... | data_image0
_chemical_formula_structural Li4Mn3Cr3W2O16Cn
_chemical_formula_sum "Li4 Mn3 Cr3 W2 O16 Cn1"
_cell_length_a 6.03107707
_cell_length_b 6.03107707
_cell_length_c 9.78220422
_cell_angle_alpha 88.63430513
_cell_angle_beta 88.63430513
_cell_angle_gamma 60.0014801900... |
AddAtomAction | 29144eb9-9c7f-49da-9d7d-30326bce4888 | mp-1103066 | Add one In atom at the Cartesian coordinate [1.403 5.647 6.123] to the cif file. | data_image0
_chemical_formula_structural Sm4Si4Pd4
_chemical_formula_sum "Sm4 Si4 Pd4"
_cell_length_a 4.326026
_cell_length_b 7.167704
_cell_length_c 7.673634
_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 Sm4Si4Pd4In
_chemical_formula_sum "Sm4 Si4 Pd4 In1"
_cell_length_a 4.326026
_cell_length_b 7.167704
_cell_length_c 7.673634
_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 | bb7eb8f4-3eac-48e4-990c-5f4858bf413c | mp-1019788 | Add one Rg atom at the Cartesian coordinate [1.454 7.646 2.989] to the cif file. | data_image0
_chemical_formula_structural K8Al6Si6O24
_chemical_formula_sum "K8 Al6 Si6 O24"
_cell_length_a 9.36018
_cell_length_b 9.36018
_cell_length_c 9.36018
_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 K8Al6Si6O24Rg
_chemical_formula_sum "K8 Al6 Si6 O24 Rg1"
_cell_length_a 9.36018
_cell_length_b 9.36018
_cell_length_c 9.36018
_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 | ec595353-0ba2-4e99-b6e2-aa4044805687 | mp-23414 | Add one K atom at the Cartesian coordinate [2.375 7.882 5.451] to the cif file. | data_image0
_chemical_formula_structural Sc8N2Cl12
_chemical_formula_sum "Sc8 N2 Cl12"
_cell_length_a 3.49215082
_cell_length_b 11.55839449
_cell_length_c 12.06368771
_cell_angle_alpha 90.00014313999999
_cell_angle_beta 90.0000846
_cell_angle_gamma 89.99996687
_space_grou... | data_image0
_chemical_formula_structural Sc8N2Cl12K
_chemical_formula_sum "Sc8 N2 Cl12 K1"
_cell_length_a 3.49215082
_cell_length_b 11.55839449
_cell_length_c 12.06368771
_cell_angle_alpha 90.00014313999999
_cell_angle_beta 90.0000846
_cell_angle_gamma 89.99996687
_space_... |
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