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 | 5d0df305-4dbe-40cb-ad3c-0a67778c8068 | mp-14485 | Add one Mo atom at the Cartesian coordinate [ 4.84 2.252 15.619] to the cif file. | data_image0
_chemical_formula_structural La2Ta14O38
_chemical_formula_sum "La2 Ta14 O38"
_cell_length_a 6.25040787
_cell_length_b 6.250408
_cell_length_c 20.044161369999998
_cell_angle_alpha 89.99992227
_cell_angle_beta 89.99994067
_cell_angle_gamma 119.99979361999999
_sp... | data_image0
_chemical_formula_structural La2Ta14O38Mo
_chemical_formula_sum "La2 Ta14 O38 Mo1"
_cell_length_a 6.25040787
_cell_length_b 6.250408
_cell_length_c 20.044161369999998
_cell_angle_alpha 89.99992227
_cell_angle_beta 89.99994067
_cell_angle_gamma 119.9997936199999... |
AddAtomAction | 954226a2-61ef-449b-afa1-a568fd55956b | mp-771907 | Add one C atom at the Cartesian coordinate [5.648 4.18 2.559] to the cif file. | data_image0
_chemical_formula_structural Li4Mn5Sn3O16
_chemical_formula_sum "Li4 Mn5 Sn3 O16"
_cell_length_a 6.09524183
_cell_length_b 6.09524183
_cell_length_c 9.86586282
_cell_angle_alpha 89.44622145
_cell_angle_beta 89.44622145
_cell_angle_gamma 60.38381201
_space_grou... | data_image0
_chemical_formula_structural Li4Mn5Sn3O16C
_chemical_formula_sum "Li4 Mn5 Sn3 O16 C1"
_cell_length_a 6.09524183
_cell_length_b 6.09524183
_cell_length_c 9.86586282
_cell_angle_alpha 89.44622145
_cell_angle_beta 89.44622145
_cell_angle_gamma 60.38381201
_space_... |
AddAtomAction | fbb4f738-a990-44c7-84fd-20d2a9831958 | mp-768066 | Add one Sc atom at the Cartesian coordinate [ 0.943 0.12 22.686] to the cif file. | data_image0
_chemical_formula_structural Li8Mn10Fe8O36
_chemical_formula_sum "Li8 Mn10 Fe8 O36"
_cell_length_a 2.909926
_cell_length_b 9.11755
_cell_length_c 24.90984087
_cell_angle_alpha 89.81857954
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li8Mn10Fe8O36Sc
_chemical_formula_sum "Li8 Mn10 Fe8 O36 Sc1"
_cell_length_a 2.909926
_cell_length_b 9.11755
_cell_length_c 24.90984087
_cell_angle_alpha 89.81857954
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
AddAtomAction | b9d58121-ee0e-446b-8fb0-66fa41dd26f6 | mp-1227514 | Add one Sb atom at the Cartesian coordinate [0.523 4.683 2.349] to the cif file. | data_image0
_chemical_formula_structural Ca4Ga4Ge2O14
_chemical_formula_sum "Ca4 Ga4 Ge2 O14"
_cell_length_a 7.979943
_cell_length_b 5.257897
_cell_length_c 7.995302279999999
_cell_angle_alpha 89.98483636
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ca4Ga4Ge2O14Sb
_chemical_formula_sum "Ca4 Ga4 Ge2 O14 Sb1"
_cell_length_a 7.979943
_cell_length_b 5.257897
_cell_length_c 7.995302279999999
_cell_angle_alpha 89.98483636
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
AddAtomAction | f460fa70-e439-4b85-b058-0a4d8072cc2d | mp-1195695 | Add one Sg atom at the Cartesian coordinate [-0.4 6.034 5.206] to the cif file. | data_image0
_chemical_formula_structural H24C8I2N2O4F4
_chemical_formula_sum "H24 C8 I2 N2 O4 F4"
_cell_length_a 9.5067812
_cell_length_b 9.506781199999999
_cell_length_c 5.63556707
_cell_angle_alpha 88.75665673999998
_cell_angle_beta 88.75665673999998
_cell_angle_gamma 10... | data_image0
_chemical_formula_structural H24C8I2N2O4F4Sg
_chemical_formula_sum "H24 C8 I2 N2 O4 F4 Sg1"
_cell_length_a 9.5067812
_cell_length_b 9.506781199999999
_cell_length_c 5.63556707
_cell_angle_alpha 88.75665673999998
_cell_angle_beta 88.75665673999998
_cell_angle_gamma... |
AddAtomAction | 03192bdc-d37d-4f59-8199-d5ff8ddcbe0d | mp-1217523 | Add one Cl atom at the Cartesian coordinate [5.859 1.793 2.642] to the cif file. | data_image0
_chemical_formula_structural TbIn7Cu5
_chemical_formula_sum "Tb1 In7 Cu5"
_cell_length_a 7.26591118
_cell_length_b 7.265911180000001
_cell_length_c 7.26591118
_cell_angle_alpha 134.31993762
_cell_angle_beta 98.72351159
_cell_angle_gamma 98.60776085
_space_grou... | data_image0
_chemical_formula_structural TbIn7Cu5Cl
_chemical_formula_sum "Tb1 In7 Cu5 Cl1"
_cell_length_a 7.26591118
_cell_length_b 7.265911180000001
_cell_length_c 7.26591118
_cell_angle_alpha 134.31993762
_cell_angle_beta 98.72351159
_cell_angle_gamma 98.60776085
_spac... |
AddAtomAction | 0b51aef9-a73a-4806-90a1-e759f9661a4a | mp-22106 | Add one Mc atom at the Cartesian coordinate [4.315 0.431 6.726] to the cif file. | data_image0
_chemical_formula_structural Nd4Ni4O12
_chemical_formula_sum "Nd4 Ni4 O12"
_cell_length_a 5.38376377
_cell_length_b 5.38857796
_cell_length_c 7.604511
_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 Nd4Ni4O12Mc
_chemical_formula_sum "Nd4 Ni4 O12 Mc1"
_cell_length_a 5.38376377
_cell_length_b 5.38857796
_cell_length_c 7.604511
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
AddAtomAction | 95131f54-6abe-4576-8e95-1d11953c8e43 | mp-755550 | Add one Nb atom at the Cartesian coordinate [2.628 1.204 0.569] to the cif file. | data_image0
_chemical_formula_structural Li4Cr2Fe2O8
_chemical_formula_sum "Li4 Cr2 Fe2 O8"
_cell_length_a 5.153227
_cell_length_b 5.17358829
_cell_length_c 5.95031247
_cell_angle_alpha 106.75159283
_cell_angle_beta 89.97635108000001
_cell_angle_gamma 99.57876288
_space_g... | data_image0
_chemical_formula_structural Li4Cr2Fe2O8Nb
_chemical_formula_sum "Li4 Cr2 Fe2 O8 Nb1"
_cell_length_a 5.153227
_cell_length_b 5.17358829
_cell_length_c 5.95031247
_cell_angle_alpha 106.75159283
_cell_angle_beta 89.97635108000001
_cell_angle_gamma 99.57876288
_s... |
AddAtomAction | 422379a9-bde9-4b02-ae13-017201f9bcad | mp-1198511 | Add one Lv atom at the Cartesian coordinate [2.537 8.058 0.478] to the cif file. | data_image0
_chemical_formula_structural Tb6Co8Ge26
_chemical_formula_sum "Tb6 Co8 Ge26"
_cell_length_a 8.781663
_cell_length_b 8.781663
_cell_length_c 8.781663
_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 Tb6Co8Ge26Lv
_chemical_formula_sum "Tb6 Co8 Ge26 Lv1"
_cell_length_a 8.781663
_cell_length_b 8.781663
_cell_length_c 8.781663
_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 | b9449b0b-6349-4316-8863-da278db8e7d2 | mp-721707 | Add one Sr atom at the Cartesian coordinate [1.477 3.051 4.928] to the cif file. | data_image0
_chemical_formula_structural H24C12N16O12
_chemical_formula_sum "H24 C12 N16 O12"
_cell_length_a 5.01246734
_cell_length_b 5.01246734
_cell_length_c 21.40530778
_cell_angle_alpha 86.98275341999998
_cell_angle_beta 86.98275341999998
_cell_angle_gamma 89.86229741... | data_image0
_chemical_formula_structural H24C12N16O12Sr
_chemical_formula_sum "H24 C12 N16 O12 Sr1"
_cell_length_a 5.01246734
_cell_length_b 5.01246734
_cell_length_c 21.40530778
_cell_angle_alpha 86.98275341999998
_cell_angle_beta 86.98275341999998
_cell_angle_gamma 89.86... |
AddAtomAction | 2aa4be06-b086-4844-b9b6-96aa460f472e | mp-690490 | Add one H atom at the Cartesian coordinate [ 1.645 4.893 11. ] to the cif file. | data_image0
_chemical_formula_structural Ti4V4O16
_chemical_formula_sum "Ti4 V4 O16"
_cell_length_a 3.003347
_cell_length_b 6.46329963
_cell_length_c 12.9995939
_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 Ti4V4O16H
_chemical_formula_sum "Ti4 V4 O16 H1"
_cell_length_a 3.003347
_cell_length_b 6.46329963
_cell_length_c 12.9995939
_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 | 8d529a7e-9ace-4a8a-8b27-bed5cc4a3fb4 | mp-753615 | Add one Pu atom at the Cartesian coordinate [1.564 4.435 4.386] to the cif file. | data_image0
_chemical_formula_structural Li3Mn3O4F4
_chemical_formula_sum "Li3 Mn3 O4 F4"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_group_n... | data_image0
_chemical_formula_structural Li3Mn3O4F4Pu
_chemical_formula_sum "Li3 Mn3 O4 F4 Pu1"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_g... |
AddAtomAction | eb43752e-b389-4b7d-a067-14273b25ab85 | mp-759690 | Add one Cn atom at the Cartesian coordinate [2.283 2.541 8.909] to the cif file. | data_image0
_chemical_formula_structural Mn2H16N4F12
_chemical_formula_sum "Mn2 H16 N4 F12"
_cell_length_a 5.9480205
_cell_length_b 5.9480205
_cell_length_c 9.53639
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000556999998
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mn2H16N4F12Cn
_chemical_formula_sum "Mn2 H16 N4 F12 Cn1"
_cell_length_a 5.9480205
_cell_length_b 5.9480205
_cell_length_c 9.53639
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000556999998
_space_group_name_H... |
AddAtomAction | 724ec2ef-240e-4253-8791-83214642ab55 | mp-1032333 | Add one Mn atom at the Cartesian coordinate [4.881 2.72 3.026] to the cif file. | data_image0
_chemical_formula_structural RbMg6CoO8
_chemical_formula_sum "Rb1 Mg6 Co1 O8"
_cell_length_a 9.05642871
_cell_length_b 4.41706245
_cell_length_c 4.41706245
_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 RbMg6CoO8Mn
_chemical_formula_sum "Rb1 Mg6 Co1 O8 Mn1"
_cell_length_a 9.05642871
_cell_length_b 4.41706245
_cell_length_c 4.41706245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
AddAtomAction | e6c9c34d-4543-43ea-a360-cb5bd97ea2d2 | mp-752915 | Add one Cm atom at the Cartesian coordinate [0.828 0.443 3.806] to the cif file. | data_image0
_chemical_formula_structural LiV2Si2O8
_chemical_formula_sum "Li1 V2 Si2 O8"
_cell_length_a 4.86263869
_cell_length_b 4.86263869
_cell_length_c 6.26437
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 112.3598841
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural LiV2Si2O8Cm
_chemical_formula_sum "Li1 V2 Si2 O8 Cm1"
_cell_length_a 4.86263869
_cell_length_b 4.86263869
_cell_length_c 6.26437
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 112.3598841
_space_group_name_H-M_alt ... |
AddAtomAction | 56dfd1d6-f67e-4c0f-a343-81099da8b92d | mp-27013 | Add one Ta atom at the Cartesian coordinate [ 3.817 6.958 10.022] to the cif file. | data_image0
_chemical_formula_structural Li18V6P16O58
_chemical_formula_sum "Li18 V6 P16 O58"
_cell_length_a 9.88202638
_cell_length_b 9.882026380000001
_cell_length_c 13.812827
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000257
_space_group_name_... | data_image0
_chemical_formula_structural Li18V6P16O58Ta
_chemical_formula_sum "Li18 V6 P16 O58 Ta1"
_cell_length_a 9.88202638
_cell_length_b 9.882026380000001
_cell_length_c 13.812827
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000257
_space_group... |
AddAtomAction | 8542e93f-cf72-433a-b82a-d6f6e161dfd7 | mp-1212621 | Add one Bi atom at the Cartesian coordinate [ 2.644 10.2 3.807] to the cif file. | data_image0
_chemical_formula_structural H8C12N4Cl4O4F16
_chemical_formula_sum "H8 C12 N4 Cl4 O4 F16"
_cell_length_a 5.636126
_cell_length_b 10.184876
_cell_length_c 12.25699182
_cell_angle_alpha 80.86539727000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... | data_image0
_chemical_formula_structural H8C12N4Cl4O4F16Bi
_chemical_formula_sum "H8 C12 N4 Cl4 O4 F16 Bi1"
_cell_length_a 5.636126
_cell_length_b 10.184876
_cell_length_c 12.25699182
_cell_angle_alpha 80.86539727000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_... |
AddAtomAction | 0febed14-4154-414f-b18e-debac1e19949 | mp-556552 | Add one Cd atom at the Cartesian coordinate [ 4.676 4.649 17.922] to the cif file. | data_image0
_chemical_formula_structural K16V4P8S36
_chemical_formula_sum "K16 V4 P8 S36"
_cell_length_a 6.905224
_cell_length_b 13.085006
_cell_length_c 19.592518
_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 K16V4P8S36Cd
_chemical_formula_sum "K16 V4 P8 S36 Cd1"
_cell_length_a 6.905224
_cell_length_b 13.085006
_cell_length_c 19.592518
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
AddAtomAction | fde0a4e4-da52-45a8-8a2a-fcde28a6e71f | mp-753988 | Add one Ra atom at the Cartesian coordinate [2.379 0.78 7.3 ] to the cif file. | data_image0
_chemical_formula_structural V4Cr4O12
_chemical_formula_sum "V4 Cr4 O12"
_cell_length_a 5.03078224
_cell_length_b 5.40156481
_cell_length_c 7.36508051
_cell_angle_alpha 83.90028352
_cell_angle_beta 89.90972671000002
_cell_angle_gamma 89.83364971
_space_group_n... | data_image0
_chemical_formula_structural V4Cr4O12Ra
_chemical_formula_sum "V4 Cr4 O12 Ra1"
_cell_length_a 5.03078224
_cell_length_b 5.40156481
_cell_length_c 7.36508051
_cell_angle_alpha 83.90028352
_cell_angle_beta 89.90972671000002
_cell_angle_gamma 89.83364971
_space_g... |
AddAtomAction | 8af3dabb-c21b-4714-9821-9ef6519fa63c | mp-1196228 | Add one Nh atom at the Cartesian coordinate [7.86 7.947 5.789] to the cif file. | data_image0
_chemical_formula_structural V12Fe8O48
_chemical_formula_sum "V12 Fe8 O48"
_cell_length_a 8.584075
_cell_length_b 9.447324
_cell_length_c 12.287255
_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 V12Fe8O48Nh
_chemical_formula_sum "V12 Fe8 O48 Nh1"
_cell_length_a 8.584075
_cell_length_b 9.447324
_cell_length_c 12.287255
_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 | 61bfbba8-0cd7-4d90-b9dc-4c17695dfd92 | mp-1192151 | Add one Bk atom at the Cartesian coordinate [-1.487 5.766 1.493] to the cif file. | data_image0
_chemical_formula_structural Rb4Zn10As8
_chemical_formula_sum "Rb4 Zn10 As8"
_cell_length_a 6.82005383
_cell_length_b 6.820053829999999
_cell_length_c 11.7456414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.26470827999998
_space_group_nam... | data_image0
_chemical_formula_structural Rb4Zn10As8Bk
_chemical_formula_sum "Rb4 Zn10 As8 Bk1"
_cell_length_a 6.82005383
_cell_length_b 6.820053829999999
_cell_length_c 11.7456414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.26470827999998
_space_gro... |
AddAtomAction | 283dac8f-3ef2-44d5-9b20-618a6626a314 | mp-1520792 | Add one Mn atom at the Cartesian coordinate [7.853e+00 4.732e+00 5.000e-03] to the cif file. | data_image0
_chemical_formula_structural KLaZrTiO6
_chemical_formula_sum "K1 La1 Zr1 Ti1 O6"
_cell_length_a 5.73639345
_cell_length_b 5.73639345
_cell_length_c 5.736393449999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 60.00... | data_image0
_chemical_formula_structural KLaZrTiO6Mn
_chemical_formula_sum "K1 La1 Zr1 Ti1 O6 Mn1"
_cell_length_a 5.73639345
_cell_length_b 5.73639345
_cell_length_c 5.736393449999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma ... |
AddAtomAction | e2176750-90bf-4ffe-b6a9-818766ab0280 | mp-1521867 | Add one In atom at the Cartesian coordinate [9.165 4.031 3.418] to the cif file. | data_image0
_chemical_formula_structural KBaNdWO6
_chemical_formula_sum "K1 Ba1 Nd1 W1 O6"
_cell_length_a 6.09260701
_cell_length_b 6.09260701
_cell_length_c 6.09260701
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural KBaNdWO6In
_chemical_formula_sum "K1 Ba1 Nd1 W1 O6 In1"
_cell_length_a 6.09260701
_cell_length_b 6.09260701
_cell_length_c 6.09260701
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999... |
AddAtomAction | 9ef0a080-5a15-4ff5-b55a-3f6a1d112663 | mp-23977 | Add one Na atom at the Cartesian coordinate [ 4.795 1.958 13.108] to the cif file. | data_image0
_chemical_formula_structural H4S28N4
_chemical_formula_sum "H4 S28 N4"
_cell_length_a 8.12547
_cell_length_b 8.50035
_cell_length_c 13.873829
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT... | data_image0
_chemical_formula_structural H4S28N4Na
_chemical_formula_sum "H4 S28 N4 Na1"
_cell_length_a 8.12547
_cell_length_b 8.50035
_cell_length_c 13.873829
_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 | f7c99fdb-404b-4921-afb9-0192b39c5d19 | mp-1212516 | Add one Pm atom at the Cartesian coordinate [5.063 2.09 3.983] to the cif file. | data_image0
_chemical_formula_structural H24C4S4N12O12
_chemical_formula_sum "H24 C4 S4 N12 O12"
_cell_length_a 7.65285985
_cell_length_b 7.65285985
_cell_length_c 12.969269
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999872000001
_space_group_nam... | data_image0
_chemical_formula_structural H24C4S4N12O12Pm
_chemical_formula_sum "H24 C4 S4 N12 O12 Pm1"
_cell_length_a 7.65285985
_cell_length_b 7.65285985
_cell_length_c 12.969269
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999872000001
_space_gro... |
AddAtomAction | c57b9d0d-9855-43c7-9a42-0895006c76c4 | mp-1233561 | Add one Sc atom at the Cartesian coordinate [2.434 2.35 0.203] to the cif file. | data_image0
_chemical_formula_structural MgCo4P8O28
_chemical_formula_sum "Mg1 Co4 P8 O28"
_cell_length_a 6.83834011
_cell_length_b 8.077485120000002
_cell_length_c 9.438236380000001
_cell_angle_alpha 90.09435495999999
_cell_angle_beta 108.90149321
_cell_angle_gamma 90.368... | data_image0
_chemical_formula_structural MgCo4P8O28Sc
_chemical_formula_sum "Mg1 Co4 P8 O28 Sc1"
_cell_length_a 6.83834011
_cell_length_b 8.077485120000002
_cell_length_c 9.438236380000001
_cell_angle_alpha 90.09435495999999
_cell_angle_beta 108.90149321
_cell_angle_gamma ... |
AddAtomAction | 0bd12cf8-d343-4845-b767-7a92df6e3c93 | mp-1371279 | Add one Br atom at the Cartesian coordinate [1.106 2.431 6.698] to the cif file. | data_image0
_chemical_formula_structural Zn4Sn4O10
_chemical_formula_sum "Zn4 Sn4 O10"
_cell_length_a 3.306152
_cell_length_b 6.356792
_cell_length_c 12.05558
_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 Zn4Sn4O10Br
_chemical_formula_sum "Zn4 Sn4 O10 Br1"
_cell_length_a 3.306152
_cell_length_b 6.356792
_cell_length_c 12.05558
_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 | a052aacc-256e-4919-a316-bbfadef52f87 | mp-1103256 | Add one Tb atom at the Cartesian coordinate [ 0.407 -1.659 4.156] to the cif file. | data_image0
_chemical_formula_structural Fe4Sb4Se4
_chemical_formula_sum "Fe4 Sb4 Se4"
_cell_length_a 6.09302977
_cell_length_b 6.201098
_cell_length_c 6.20939352
_cell_angle_alpha 113.35185831
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Fe4Sb4Se4Tb
_chemical_formula_sum "Fe4 Sb4 Se4 Tb1"
_cell_length_a 6.09302977
_cell_length_b 6.201098
_cell_length_c 6.20939352
_cell_angle_alpha 113.35185831
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | a2f31a94-2250-48e7-a220-9aa2b1c57aee | mp-23702 | Add one Bk atom at the Cartesian coordinate [2.194 4.577 0.027] to the cif file. | data_image0
_chemical_formula_structural Li4H8N4
_chemical_formula_sum "Li4 H8 N4"
_cell_length_a 4.93582519
_cell_length_b 4.93582403
_cell_length_c 6.17904506
_cell_angle_alpha 113.54069253
_cell_angle_beta 113.54068121000002
_cell_angle_gamma 89.99999577999999
_space_g... | data_image0
_chemical_formula_structural Li4H8N4Bk
_chemical_formula_sum "Li4 H8 N4 Bk1"
_cell_length_a 4.93582519
_cell_length_b 4.93582403
_cell_length_c 6.17904506
_cell_angle_alpha 113.54069253
_cell_angle_beta 113.54068121000002
_cell_angle_gamma 89.99999577999999
_s... |
AddAtomAction | 62c00ed0-866d-4cfa-a7f4-2c4afd7bbefc | mp-1190979 | Add one V atom at the Cartesian coordinate [9.097 4.016 5.192] to the cif file. | data_image0
_chemical_formula_structural Sc16Ir8
_chemical_formula_sum "Sc16 Ir8"
_cell_length_a 8.69136518
_cell_length_b 8.69136372
_cell_length_c 8.69136591
_cell_angle_alpha 59.99999168000001
_cell_angle_beta 59.99999723000001
_cell_angle_gamma 59.99999999999999
_spac... | data_image0
_chemical_formula_structural Sc16Ir8V
_chemical_formula_sum "Sc16 Ir8 V1"
_cell_length_a 8.69136518
_cell_length_b 8.69136372
_cell_length_c 8.69136591
_cell_angle_alpha 59.99999168000001
_cell_angle_beta 59.99999723000001
_cell_angle_gamma 59.99999999999999
_... |
AddAtomAction | 866cf550-42f3-4760-b498-d87dd1e10df7 | mp-1032565 | Add one Mo atom at the Cartesian coordinate [2.933 1.726 3.839] to the cif file. | data_image0
_chemical_formula_structural Mg6ZnBiO8
_chemical_formula_sum "Mg6 Zn1 Bi1 O8"
_cell_length_a 8.95553313
_cell_length_b 4.51736221
_cell_length_c 4.51736221
_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 Mg6ZnBiO8Mo
_chemical_formula_sum "Mg6 Zn1 Bi1 O8 Mo1"
_cell_length_a 8.95553313
_cell_length_b 4.51736221
_cell_length_c 4.51736221
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
AddAtomAction | 1613a675-1860-4905-a94b-439a064edca8 | mp-761075 | Add one Ag atom at the Cartesian coordinate [ 6.671 -1.56 4.355] to the cif file. | data_image0
_chemical_formula_structural Ni4P16O44
_chemical_formula_sum "Ni4 P16 O44"
_cell_length_a 9.172254
_cell_length_b 9.20584772
_cell_length_c 10.69975843
_cell_angle_alpha 108.96845521999998
_cell_angle_beta 108.18002872
_cell_angle_gamma 90.91766442999999
_spac... | data_image0
_chemical_formula_structural Ni4P16O44Ag
_chemical_formula_sum "Ni4 P16 O44 Ag1"
_cell_length_a 9.172254
_cell_length_b 9.20584772
_cell_length_c 10.69975843
_cell_angle_alpha 108.96845521999998
_cell_angle_beta 108.18002872
_cell_angle_gamma 90.91766442999999
... |
AddAtomAction | 9c09dad5-067b-4e67-887c-fc5d011c4c05 | mp-34195 | Add one Md atom at the Cartesian coordinate [2.774 5.38 5.041] to the cif file. | data_image0
_chemical_formula_structural Ba2C2O6
_chemical_formula_sum "Ba2 C2 O6"
_cell_length_a 5.434419
_cell_length_b 4.657328
_cell_length_c 6.15233539
_cell_angle_alpha 76.3642405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Ba2C2O6Md
_chemical_formula_sum "Ba2 C2 O6 Md1"
_cell_length_a 5.434419
_cell_length_b 4.657328
_cell_length_c 6.15233539
_cell_angle_alpha 76.3642405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
AddAtomAction | 2ce4aeec-e635-472f-8ada-30adc512ce13 | mp-1235319 | Add one Co atom at the Cartesian coordinate [1.062 0.098 6.537] to the cif file. | data_image0
_chemical_formula_structural LiSc4Fe4O12
_chemical_formula_sum "Li1 Sc4 Fe4 O12"
_cell_length_a 5.12678458
_cell_length_b 5.4436032
_cell_length_c 8.04653984
_cell_angle_alpha 90.16735254
_cell_angle_beta 91.99021394
_cell_angle_gamma 88.80830664000001
_space_... | data_image0
_chemical_formula_structural LiSc4Fe4O12Co
_chemical_formula_sum "Li1 Sc4 Fe4 O12 Co1"
_cell_length_a 5.12678458
_cell_length_b 5.4436032
_cell_length_c 8.04653984
_cell_angle_alpha 90.16735254
_cell_angle_beta 91.99021394
_cell_angle_gamma 88.80830664000001
_... |
AddAtomAction | 5eeb855b-d374-4ca7-9dc3-c822dbabc913 | mp-1196015 | Add one Y atom at the Cartesian coordinate [ 0.63 1.391 12.845] to the cif file. | data_image0
_chemical_formula_structural Cs8P4Au4S16
_chemical_formula_sum "Cs8 P4 Au4 S16"
_cell_length_a 7.154088
_cell_length_b 7.290651
_cell_length_c 20.458374
_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 Cs8P4Au4S16Y
_chemical_formula_sum "Cs8 P4 Au4 S16 Y1"
_cell_length_a 7.154088
_cell_length_b 7.290651
_cell_length_c 20.458374
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
AddAtomAction | 472c6d74-963c-431f-8613-5ce444fec473 | mp-1112637 | Add one Ho atom at the Cartesian coordinate [4.369 4.65 2.184] to the cif file. | data_image0
_chemical_formula_structural Cs2TlCuF6
_chemical_formula_sum "Cs2 Tl1 Cu1 F6"
_cell_length_a 6.35045246
_cell_length_b 6.3504524600000005
_cell_length_c 6.35045246
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Cs2TlCuF6Ho
_chemical_formula_sum "Cs2 Tl1 Cu1 F6 Ho1"
_cell_length_a 6.35045246
_cell_length_b 6.3504524600000005
_cell_length_c 6.35045246
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 5... |
AddAtomAction | 94f3ae3c-1e15-4e86-8ee4-96f7eb0bb862 | mp-1209004 | Add one Es atom at the Cartesian coordinate [-0.526 1.406 10.017] to the cif file. | data_image0
_chemical_formula_structural Sc4Tl2Cu6Se10
_chemical_formula_sum "Sc4 Tl2 Cu6 Se10"
_cell_length_a 7.44609395
_cell_length_b 7.446093949999999
_cell_length_c 16.384875
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.97807307000002
_space_gro... | data_image0
_chemical_formula_structural Sc4Tl2Cu6Se10Es
_chemical_formula_sum "Sc4 Tl2 Cu6 Se10 Es1"
_cell_length_a 7.44609395
_cell_length_b 7.446093949999999
_cell_length_c 16.384875
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.97807307000002
_spa... |
AddAtomAction | ee74284c-dec5-4367-91fa-c6caa2895bad | mp-758495 | Add one Hg atom at the Cartesian coordinate [2.28 5.702 2.105] to the cif file. | data_image0
_chemical_formula_structural Li8Co8C8O28
_chemical_formula_sum "Li8 Co8 C8 O28"
_cell_length_a 6.246944
_cell_length_b 8.914788
_cell_length_c 10.60852576
_cell_angle_alpha 67.07172826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li8Co8C8O28Hg
_chemical_formula_sum "Li8 Co8 C8 O28 Hg1"
_cell_length_a 6.246944
_cell_length_b 8.914788
_cell_length_c 10.60852576
_cell_angle_alpha 67.07172826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
AddAtomAction | 585ed611-9afa-4dcb-b6ba-9ea00ac7ea70 | mp-25273 | Add one Rb atom at the Cartesian coordinate [5.185 4.29 1.924] to the cif file. | data_image0
_chemical_formula_structural LiMo3O8
_chemical_formula_sum "Li1 Mo3 O8"
_cell_length_a 6.06688934
_cell_length_b 6.06688934
_cell_length_c 6.06688936
_cell_angle_alpha 61.23775104
_cell_angle_beta 61.23775104
_cell_angle_gamma 61.23774855
_space_group_name_H-M... | data_image0
_chemical_formula_structural LiMo3O8Rb
_chemical_formula_sum "Li1 Mo3 O8 Rb1"
_cell_length_a 6.06688934
_cell_length_b 6.06688934
_cell_length_c 6.06688936
_cell_angle_alpha 61.23775104
_cell_angle_beta 61.23775104
_cell_angle_gamma 61.23774855
_space_group_na... |
AddAtomAction | abb48318-f5cd-45e8-9d93-f1e09b374a33 | mp-779625 | Add one Nh atom at the Cartesian coordinate [8.491 4.806 6.6 ] to the cif file. | data_image0
_chemical_formula_structural Li16Mn8P12O48
_chemical_formula_sum "Li16 Mn8 P12 O48"
_cell_length_a 8.888442
_cell_length_b 8.648767
_cell_length_c 14.93486204
_cell_angle_alpha 56.52907429
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li16Mn8P12O48Nh
_chemical_formula_sum "Li16 Mn8 P12 O48 Nh1"
_cell_length_a 8.888442
_cell_length_b 8.648767
_cell_length_c 14.93486204
_cell_angle_alpha 56.52907429
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
AddAtomAction | 94a744b7-e5a4-41e8-a39a-9eab8eaba05a | mp-1519381 | Add one Fr atom at the Cartesian coordinate [5.017 1.04 0.334] to the cif file. | data_image0
_chemical_formula_structural SrCaPrSbO6
_chemical_formula_sum "Sr1 Ca1 Pr1 Sb1 O6"
_cell_length_a 5.88812195
_cell_length_b 5.88812195
_cell_length_c 5.88812195
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... | data_image0
_chemical_formula_structural SrCaPrSbO6Fr
_chemical_formula_sum "Sr1 Ca1 Pr1 Sb1 O6 Fr1"
_cell_length_a 5.88812195
_cell_length_b 5.88812195
_cell_length_c 5.88812195
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9... |
AddAtomAction | 36464dcb-04f7-421a-8a4a-5f1b280528da | mp-1199066 | Add one Ra atom at the Cartesian coordinate [ 5.619 4.065 13.665] to the cif file. | data_image0
_chemical_formula_structural Eu8B8O22F4
_chemical_formula_sum "Eu8 B8 O22 F4"
_cell_length_a 7.38493748
_cell_length_b 7.38493748
_cell_length_c 13.944672270000002
_cell_angle_alpha 89.11157898
_cell_angle_beta 89.11157898
_cell_angle_gamma 37.38706046
_space_... | data_image0
_chemical_formula_structural Eu8B8O22F4Ra
_chemical_formula_sum "Eu8 B8 O22 F4 Ra1"
_cell_length_a 7.38493748
_cell_length_b 7.38493748
_cell_length_c 13.944672270000002
_cell_angle_alpha 89.11157898
_cell_angle_beta 89.11157898
_cell_angle_gamma 37.38706046
_... |
AddAtomAction | 77ee5650-bade-4ba2-a2cf-a8880d7f5097 | mp-1078410 | Add one Fm atom at the Cartesian coordinate [4.94 5.263 0.667] to the cif file. | data_image0
_chemical_formula_structural Ba2ZnTeO6
_chemical_formula_sum "Ba2 Zn1 Te1 O6"
_cell_length_a 5.84283748
_cell_length_b 5.84283748
_cell_length_c 5.84283748
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Ba2ZnTeO6Fm
_chemical_formula_sum "Ba2 Zn1 Te1 O6 Fm1"
_cell_length_a 5.84283748
_cell_length_b 5.84283748
_cell_length_c 5.84283748
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... |
AddAtomAction | 7486d3be-821f-4397-ad27-e206780fd8f8 | mp-1193804 | Add one Nb atom at the Cartesian coordinate [ 4.816 5.021 10.703] to the cif file. | data_image0
_chemical_formula_structural Pr12Ga8Ni8
_chemical_formula_sum "Pr12 Ga8 Ni8"
_cell_length_a 5.809571
_cell_length_b 8.312716
_cell_length_c 12.825664
_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 Pr12Ga8Ni8Nb
_chemical_formula_sum "Pr12 Ga8 Ni8 Nb1"
_cell_length_a 5.809571
_cell_length_b 8.312716
_cell_length_c 12.825664
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
AddAtomAction | 99df88f7-bd2a-4e88-b0f9-2fe022546770 | mp-760489 | Add one Lv atom at the Cartesian coordinate [-1.368 5.025 0.63 ] to the cif file. | data_image0
_chemical_formula_structural P2H12N2O4
_chemical_formula_sum "P2 H12 N2 O4"
_cell_length_a 6.94446242
_cell_length_b 6.94446242
_cell_length_c 4.049551
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.35006993
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural P2H12N2O4Lv
_chemical_formula_sum "P2 H12 N2 O4 Lv1"
_cell_length_a 6.94446242
_cell_length_b 6.94446242
_cell_length_c 4.049551
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.35006993
_space_group_name_H-M_alt ... |
AddAtomAction | 5071a15a-203b-46f7-a31a-a603313958ec | mp-25946 | Add one Rh atom at the Cartesian coordinate [1.721 3.704 4.847] to the cif file. | data_image0
_chemical_formula_structural Sb4P10O32
_chemical_formula_sum "Sb4 P10 O32"
_cell_length_a 10.443986
_cell_length_b 7.564572
_cell_length_c 10.70179358
_cell_angle_alpha 69.2391077
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Sb4P10O32Rh
_chemical_formula_sum "Sb4 P10 O32 Rh1"
_cell_length_a 10.443986
_cell_length_b 7.564572
_cell_length_c 10.70179358
_cell_angle_alpha 69.2391077
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 83200a00-233d-4c12-b533-4d58411aa7bb | mp-1027923 | Add one Sc atom at the Cartesian coordinate [3.019 3.574 5.319] to the cif file. | data_image0
_chemical_formula_structural SrMg14Zr
_chemical_formula_sum "Sr1 Mg14 Zr1"
_cell_length_a 6.57608356
_cell_length_b 6.61396989
_cell_length_c 10.42359233
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19076941
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural SrMg14ZrSc
_chemical_formula_sum "Sr1 Mg14 Zr1 Sc1"
_cell_length_a 6.57608356
_cell_length_b 6.61396989
_cell_length_c 10.42359233
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19076941
_space_group_name_H-M_al... |
AddAtomAction | 9fdb6aa0-d5a2-4495-8e60-bc7c03b3bb18 | mp-759739 | Add one Ac atom at the Cartesian coordinate [0.838 6.508 3.083] to the cif file. | data_image0
_chemical_formula_structural V6O3F15
_chemical_formula_sum "V6 O3 F15"
_cell_length_a 8.44599678
_cell_length_b 8.44599678
_cell_length_c 4.56238
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000613
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural V6O3F15Ac
_chemical_formula_sum "V6 O3 F15 Ac1"
_cell_length_a 8.44599678
_cell_length_b 8.44599678
_cell_length_c 4.56238
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000613
_space_group_name_H-M_alt "P ... |
AddAtomAction | f5d5bbfc-8787-4379-a380-2fc6c6e61074 | mp-752621 | Add one As atom at the Cartesian coordinate [8.082 5.287 4.701] to the cif file. | data_image0
_chemical_formula_structural Li6Fe2B8O18
_chemical_formula_sum "Li6 Fe2 B8 O18"
_cell_length_a 8.715265
_cell_length_b 5.713325
_cell_length_c 6.78721015
_cell_angle_alpha 78.52081286
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li6Fe2B8O18As
_chemical_formula_sum "Li6 Fe2 B8 O18 As1"
_cell_length_a 8.715265
_cell_length_b 5.713325
_cell_length_c 6.78721015
_cell_angle_alpha 78.52081286
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
AddAtomAction | cf0e2f93-1ccc-41ca-9414-42a6a1dfb5b9 | mp-1235953 | Add one Cn atom at the Cartesian coordinate [7.409 2.539 0.761] to the cif file. | data_image0
_chemical_formula_structural K2LiNb2P2C2O14
_chemical_formula_sum "K2 Li1 Nb2 P2 C2 O14"
_cell_length_a 10.52196763
_cell_length_b 6.6069197299999995
_cell_length_c 5.28292177
_cell_angle_alpha 89.81845657000001
_cell_angle_beta 87.54113494000002
_cell_angle_gamma... | data_image0
_chemical_formula_structural K2LiNb2P2C2O14Cn
_chemical_formula_sum "K2 Li1 Nb2 P2 C2 O14 Cn1"
_cell_length_a 10.52196763
_cell_length_b 6.6069197299999995
_cell_length_c 5.28292177
_cell_angle_alpha 89.81845657000001
_cell_angle_beta 87.54113494000002
_cell_angle... |
AddAtomAction | dcd9ab2d-54bf-4958-b5f0-ddb5fd832758 | mp-1022061 | Add one P atom at the Cartesian coordinate [ 1.299 3.028 11.342] to the cif file. | data_image0
_chemical_formula_structural La2Mg12Ni2
_chemical_formula_sum "La2 Mg12 Ni2"
_cell_length_a 4.834803
_cell_length_b 6.266038
_cell_length_c 12.206856
_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 La2Mg12Ni2P
_chemical_formula_sum "La2 Mg12 Ni2 P1"
_cell_length_a 4.834803
_cell_length_b 6.266038
_cell_length_c 12.206856
_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 | d6a3a3a2-00b2-438a-bbda-0dcb10e0399d | mp-572465 | Add one Pb atom at the Cartesian coordinate [4.228 2.94 6.529] to the cif file. | data_image0
_chemical_formula_structural Cr4Cu4P8S24
_chemical_formula_sum "Cr4 Cu4 P8 S24"
_cell_length_a 10.378013
_cell_length_b 5.985366
_cell_length_c 14.53043325
_cell_angle_alpha 74.92798852
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cr4Cu4P8S24Pb
_chemical_formula_sum "Cr4 Cu4 P8 S24 Pb1"
_cell_length_a 10.378013
_cell_length_b 5.985366
_cell_length_c 14.53043325
_cell_angle_alpha 74.92798852
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
AddAtomAction | 543e7e41-ae55-494c-bb5e-af5385acf6d7 | mp-531527 | Add one Tm atom at the Cartesian coordinate [1.75 3.828 1.427] to the cif file. | data_image0
_chemical_formula_structural Ba3Ti20O40
_chemical_formula_sum "Ba3 Ti20 O40"
_cell_length_a 10.27568035
_cell_length_b 10.27568035
_cell_length_c 10.03228949
_cell_angle_alpha 61.29334600000001
_cell_angle_beta 61.29334600000001
_cell_angle_gamma 92.2357216
_s... | data_image0
_chemical_formula_structural Ba3Ti20O40Tm
_chemical_formula_sum "Ba3 Ti20 O40 Tm1"
_cell_length_a 10.27568035
_cell_length_b 10.27568035
_cell_length_c 10.03228949
_cell_angle_alpha 61.29334600000001
_cell_angle_beta 61.29334600000001
_cell_angle_gamma 92.23572... |
AddAtomAction | 0b50ecb7-b9b1-41b1-bbd5-1cd73ec6eb48 | mp-20268 | Add one Yb atom at the Cartesian coordinate [3.735 0.312 3.841] to the cif file. | data_image0
_chemical_formula_structural Ti4Ge4Pd4
_chemical_formula_sum "Ti4 Ge4 Pd4"
_cell_length_a 3.84471038
_cell_length_b 6.4022481
_cell_length_c 7.552176479999999
_cell_angle_alpha 89.99749709
_cell_angle_beta 89.99999969999999
_cell_angle_gamma 89.99999966999998
... | data_image0
_chemical_formula_structural Ti4Ge4Pd4Yb
_chemical_formula_sum "Ti4 Ge4 Pd4 Yb1"
_cell_length_a 3.84471038
_cell_length_b 6.4022481
_cell_length_c 7.552176479999999
_cell_angle_alpha 89.99749709
_cell_angle_beta 89.99999969999999
_cell_angle_gamma 89.9999996699... |
AddAtomAction | 874ed094-60fb-4cee-8dda-52d6aabb1258 | mp-759863 | Add one Mc atom at the Cartesian coordinate [4.646 5.403 2.8 ] to the cif file. | data_image0
_chemical_formula_structural Na4V2O6
_chemical_formula_sum "Na4 V2 O6"
_cell_length_a 5.40643848
_cell_length_b 5.40643157
_cell_length_c 5.690111259999999
_cell_angle_alpha 81.39473125
_cell_angle_beta 98.6053648
_cell_angle_gamma 58.75010621
_space_group_nam... | data_image0
_chemical_formula_structural Na4V2O6Mc
_chemical_formula_sum "Na4 V2 O6 Mc1"
_cell_length_a 5.40643848
_cell_length_b 5.40643157
_cell_length_c 5.690111259999999
_cell_angle_alpha 81.39473125
_cell_angle_beta 98.6053648
_cell_angle_gamma 58.75010621
_space_gro... |
AddAtomAction | 59bbda34-8464-47c6-8ce0-6913e0294663 | mp-1212483 | Add one Ge atom at the Cartesian coordinate [5.229 3.08 7.604] to the cif file. | data_image0
_chemical_formula_structural Hg16P4H4N4O28
_chemical_formula_sum "Hg16 P4 H4 N4 O28"
_cell_length_a 6.12443421
_cell_length_b 8.318202
_cell_length_c 19.35441814
_cell_angle_alpha 90.0
_cell_angle_beta 91.12338898
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Hg16P4H4N4O28Ge
_chemical_formula_sum "Hg16 P4 H4 N4 O28 Ge1"
_cell_length_a 6.12443421
_cell_length_b 8.318202
_cell_length_c 19.35441814
_cell_angle_alpha 90.0
_cell_angle_beta 91.12338898
_cell_angle_gamma 90.0
_space_group_name... |
AddAtomAction | 3adf7468-c3e0-4ddb-88de-9f6ec7b40976 | mp-1209474 | Add one Tl atom at the Cartesian coordinate [2.362 5.922 1.906] to the cif file. | data_image0
_chemical_formula_structural Sm4Ni4Pb4
_chemical_formula_sum "Sm4 Ni4 Pb4"
_cell_length_a 4.58978341
_cell_length_b 7.33181523
_cell_length_c 7.87051051
_cell_angle_alpha 90.00819843
_cell_angle_beta 90.04042330000001
_cell_angle_gamma 89.97303752
_space_group... | data_image0
_chemical_formula_structural Sm4Ni4Pb4Tl
_chemical_formula_sum "Sm4 Ni4 Pb4 Tl1"
_cell_length_a 4.58978341
_cell_length_b 7.33181523
_cell_length_c 7.87051051
_cell_angle_alpha 90.00819843
_cell_angle_beta 90.04042330000001
_cell_angle_gamma 89.97303752
_space... |
AddAtomAction | ee8fd3f1-ed53-49c1-b6cc-abd95eeeca27 | mp-1204342 | Add one Nd atom at the Cartesian coordinate [2.78 1.159 1.786] to the cif file. | data_image0
_chemical_formula_structural Ca8B12H16Cl4O32
_chemical_formula_sum "Ca8 B12 H16 Cl4 O32"
_cell_length_a 7.22859361
_cell_length_b 7.93274174
_cell_length_c 12.556271389999997
_cell_angle_alpha 86.44647157
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... | data_image0
_chemical_formula_structural Ca8B12H16Cl4O32Nd
_chemical_formula_sum "Ca8 B12 H16 Cl4 O32 Nd1"
_cell_length_a 7.22859361
_cell_length_b 7.93274174
_cell_length_c 12.556271389999997
_cell_angle_alpha 86.44647157
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spa... |
AddAtomAction | 2857ebdd-5926-45e8-b9be-c23db18be4fb | mp-767632 | Add one Th atom at the Cartesian coordinate [3.539 6.785 2.172] to the cif file. | data_image0
_chemical_formula_structural V4P4O16
_chemical_formula_sum "V4 P4 O16"
_cell_length_a 4.69951386
_cell_length_b 8.649972239999999
_cell_length_c 6.47330008
_cell_angle_alpha 89.99962611
_cell_angle_beta 89.99705793
_cell_angle_gamma 89.99984569
_space_group_na... | data_image0
_chemical_formula_structural V4P4O16Th
_chemical_formula_sum "V4 P4 O16 Th1"
_cell_length_a 4.69951386
_cell_length_b 8.649972239999999
_cell_length_c 6.47330008
_cell_angle_alpha 89.99962611
_cell_angle_beta 89.99705793
_cell_angle_gamma 89.99984569
_space_gr... |
AddAtomAction | fbd26eff-707f-4263-9e78-e9c6d8e77644 | mp-1174010 | Add one Ge atom at the Cartesian coordinate [2.441 0.029 2.319] to the cif file. | data_image0
_chemical_formula_structural Li6Mn2Co2O10
_chemical_formula_sum "Li6 Mn2 Co2 O10"
_cell_length_a 3.027597
_cell_length_b 5.081402820000001
_cell_length_c 12.403117880000002
_cell_angle_alpha 100.73363916
_cell_angle_beta 87.87144722
_cell_angle_gamma 103.019523... | data_image0
_chemical_formula_structural Li6Mn2Co2O10Ge
_chemical_formula_sum "Li6 Mn2 Co2 O10 Ge1"
_cell_length_a 3.027597
_cell_length_b 5.081402820000001
_cell_length_c 12.403117880000002
_cell_angle_alpha 100.73363916
_cell_angle_beta 87.87144722
_cell_angle_gamma 103.... |
AddAtomAction | 89ea937a-4f90-434a-b12c-4cfe3697fee4 | mp-568595 | Add one Ca atom at the Cartesian coordinate [5.799 0.147 7.836] to the cif file. | data_image0
_chemical_formula_structural Re8Si14
_chemical_formula_sum "Re8 Si14"
_cell_length_a 11.80895754
_cell_length_b 11.80895754
_cell_length_c 8.372270209999998
_cell_angle_alpha 87.41781667
_cell_angle_beta 87.41781667
_cell_angle_gamma 15.289560639999978
_space_... | data_image0
_chemical_formula_structural Re8Si14Ca
_chemical_formula_sum "Re8 Si14 Ca1"
_cell_length_a 11.80895754
_cell_length_b 11.80895754
_cell_length_c 8.372270209999998
_cell_angle_alpha 87.41781667
_cell_angle_beta 87.41781667
_cell_angle_gamma 15.289560639999978
_... |
AddAtomAction | 4d737bda-c06e-48f0-a0e1-74a4448f4374 | mp-558681 | Add one Rn atom at the Cartesian coordinate [0.485 0.217 5.744] to the cif file. | data_image0
_chemical_formula_structural P8Cl8O8F16
_chemical_formula_sum "P8 Cl8 O8 F16"
_cell_length_a 5.55295745
_cell_length_b 9.90794988
_cell_length_c 13.09894283
_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 P8Cl8O8F16Rn
_chemical_formula_sum "P8 Cl8 O8 F16 Rn1"
_cell_length_a 5.55295745
_cell_length_b 9.90794988
_cell_length_c 13.09894283
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | c3cde311-5684-41cd-95fe-c6b54bcbbba6 | mp-1205760 | Add one Rh atom at the Cartesian coordinate [1.446 0.928 1.765] to the cif file. | data_image0
_chemical_formula_structural Sr2LuNbO6
_chemical_formula_sum "Sr2 Lu1 Nb1 O6"
_cell_length_a 5.89116681
_cell_length_b 5.89116681
_cell_length_c 5.89116681
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural Sr2LuNbO6Rh
_chemical_formula_sum "Sr2 Lu1 Nb1 O6 Rh1"
_cell_length_a 5.89116681
_cell_length_b 5.89116681
_cell_length_c 5.89116681
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... |
AddAtomAction | 71040273-a5e3-4513-8e14-39de5f5d10b9 | mp-1190262 | Add one Ho atom at the Cartesian coordinate [3.847 0.03 3.032] to the cif file. | data_image0
_chemical_formula_structural Zr10Sb6Ru2
_chemical_formula_sum "Zr10 Sb6 Ru2"
_cell_length_a 8.73189757
_cell_length_b 8.73189757
_cell_length_c 5.899617
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999677999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Zr10Sb6Ru2Ho
_chemical_formula_sum "Zr10 Sb6 Ru2 Ho1"
_cell_length_a 8.73189757
_cell_length_b 8.73189757
_cell_length_c 5.899617
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999677999999
_space_group_name_H... |
AddAtomAction | 3dc341c7-015b-4ee8-8215-229e82feabfa | mp-1200769 | Add one Tc atom at the Cartesian coordinate [-2.105 3.963 4.019] to the cif file. | data_image0
_chemical_formula_structural Yb3Ga24Cu12
_chemical_formula_sum "Yb3 Ga24 Cu12"
_cell_length_a 10.18707419
_cell_length_b 10.18707419
_cell_length_c 10.18707419
_cell_angle_alpha 129.68595507
_cell_angle_beta 129.68595507
_cell_angle_gamma 73.90931848
_space_gr... | data_image0
_chemical_formula_structural Yb3Ga24Cu12Tc
_chemical_formula_sum "Yb3 Ga24 Cu12 Tc1"
_cell_length_a 10.18707419
_cell_length_b 10.18707419
_cell_length_c 10.18707419
_cell_angle_alpha 129.68595507
_cell_angle_beta 129.68595507
_cell_angle_gamma 73.90931848
_sp... |
AddAtomAction | d4cf2140-b758-4824-a3fc-b85c9a393df1 | mp-1211974 | Add one Ar atom at the Cartesian coordinate [3.572 2.137 3.395] to the cif file. | data_image0
_chemical_formula_structural InS2NO8
_chemical_formula_sum "In1 S2 N1 O8"
_cell_length_a 4.96153941
_cell_length_b 4.96153941
_cell_length_c 8.92500071
_cell_angle_alpha 73.86166951999999
_cell_angle_beta 73.86166951999999
_cell_angle_gamma 60.00000787
_space_... | data_image0
_chemical_formula_structural InS2NO8Ar
_chemical_formula_sum "In1 S2 N1 O8 Ar1"
_cell_length_a 4.96153941
_cell_length_b 4.96153941
_cell_length_c 8.92500071
_cell_angle_alpha 73.86166951999999
_cell_angle_beta 73.86166951999999
_cell_angle_gamma 60.00000787
_... |
AddAtomAction | a0468228-0ba8-4040-a49c-0b24bfd0c6cc | mp-1037998 | Add one Am atom at the Cartesian coordinate [2.628 6.489 6.005] to the cif file. | data_image0
_chemical_formula_structural Mg30AlCdO32
_chemical_formula_sum "Mg30 Al1 Cd1 O32"
_cell_length_a 8.577996
_cell_length_b 8.577996
_cell_length_c 8.569637
_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 Mg30AlCdO32Am
_chemical_formula_sum "Mg30 Al1 Cd1 O32 Am1"
_cell_length_a 8.577996
_cell_length_b 8.577996
_cell_length_c 8.569637
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
AddAtomAction | 70a73ddc-dff0-40ec-a69a-4aa3b6224efa | mp-1202419 | Add one S atom at the Cartesian coordinate [ 3.413 4.685 12.611] to the cif file. | data_image0
_chemical_formula_structural Ca2Re4C10N20O26
_chemical_formula_sum "Ca2 Re4 C10 N20 O26"
_cell_length_a 8.758417
_cell_length_b 10.10223223
_cell_length_c 15.08850013
_cell_angle_alpha 105.45414396999999
_cell_angle_beta 89.65799284
_cell_angle_gamma 94.1446102... | data_image0
_chemical_formula_structural Ca2Re4C10N20O26S
_chemical_formula_sum "Ca2 Re4 C10 N20 O26 S1"
_cell_length_a 8.758417
_cell_length_b 10.10223223
_cell_length_c 15.08850013
_cell_angle_alpha 105.45414396999999
_cell_angle_beta 89.65799284
_cell_angle_gamma 94.144... |
AddAtomAction | b6d69335-3326-4f43-bd2d-8c585240cff3 | mp-2234075 | Add one Dy atom at the Cartesian coordinate [8.854 4.955 3.651] to the cif file. | data_image0
_chemical_formula_structural MgScNi2SbO6
_chemical_formula_sum "Mg1 Sc1 Ni2 Sb1 O6"
_cell_length_a 5.3578386
_cell_length_b 5.3553402
_cell_length_c 5.99123202
_cell_angle_alpha 63.50255283999999
_cell_angle_beta 63.50103803999999
_cell_angle_gamma 59.98045332
... | data_image0
_chemical_formula_structural MgScNi2SbO6Dy
_chemical_formula_sum "Mg1 Sc1 Ni2 Sb1 O6 Dy1"
_cell_length_a 5.3578386
_cell_length_b 5.3553402
_cell_length_c 5.99123202
_cell_angle_alpha 63.50255283999999
_cell_angle_beta 63.50103803999999
_cell_angle_gamma 59.980... |
AddAtomAction | a634fa66-804f-401b-9014-566175840067 | mp-776226 | Add one Pu atom at the Cartesian coordinate [ 1.293 -0.344 3.979] to the cif file. | data_image0
_chemical_formula_structural Hf16N16O8
_chemical_formula_sum "Hf16 N16 O8"
_cell_length_a 8.64803569
_cell_length_b 8.675023070000002
_cell_length_c 8.68143733
_cell_angle_alpha 109.54989756
_cell_angle_beta 109.52119125
_cell_angle_gamma 109.23362109
_space_g... | data_image0
_chemical_formula_structural Hf16N16O8Pu
_chemical_formula_sum "Hf16 N16 O8 Pu1"
_cell_length_a 8.64803569
_cell_length_b 8.675023070000002
_cell_length_c 8.68143733
_cell_angle_alpha 109.54989756
_cell_angle_beta 109.52119125
_cell_angle_gamma 109.23362109
_s... |
AddAtomAction | c3235b75-dcc4-434d-877c-20e9ec989963 | mp-2230889 | Add one Pt atom at the Cartesian coordinate [-1.417 7.518 4.356] to the cif file. | data_image0
_chemical_formula_structural MgV5FeO12
_chemical_formula_sum "Mg1 V5 Fe1 O12"
_cell_length_a 6.96162261
_cell_length_b 6.89094991
_cell_length_c 5.77592574
_cell_angle_alpha 72.17851103
_cell_angle_beta 106.06423236
_cell_angle_gamma 100.70594602000001
_space_... | data_image0
_chemical_formula_structural MgV5FeO12Pt
_chemical_formula_sum "Mg1 V5 Fe1 O12 Pt1"
_cell_length_a 6.96162261
_cell_length_b 6.89094991
_cell_length_c 5.77592574
_cell_angle_alpha 72.17851103
_cell_angle_beta 106.06423236
_cell_angle_gamma 100.70594602000001
_... |
AddAtomAction | 9586d33f-90fe-4a27-94a2-30fe86b5dd9f | mp-1175749 | Add one Eu atom at the Cartesian coordinate [-0.451 0.733 6.347] to the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.941684
_cell_length_b 6.452902369999999
_cell_length_c 8.58674106
_cell_angle_alpha 82.81201373999998
_cell_angle_beta 109.37247198
_cell_angle_gamma 114.16547318... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Eu
_chemical_formula_sum "Li9 Mn2 Co5 O16 Eu1"
_cell_length_a 5.941684
_cell_length_b 6.452902369999999
_cell_length_c 8.58674106
_cell_angle_alpha 82.81201373999998
_cell_angle_beta 109.37247198
_cell_angle_gamma 114.16... |
AddAtomAction | 7c2e68e6-a31b-4ab1-bf83-3a73a4655ff3 | mp-758717 | Add one Er atom at the Cartesian coordinate [4.404 9.459 5.957] to the cif file. | data_image0
_chemical_formula_structural Li2Co4C8O24
_chemical_formula_sum "Li2 Co4 C8 O24"
_cell_length_a 9.550868
_cell_length_b 7.455839
_cell_length_c 8.43336493
_cell_angle_alpha 70.41666927999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Li2Co4C8O24Er
_chemical_formula_sum "Li2 Co4 C8 O24 Er1"
_cell_length_a 9.550868
_cell_length_b 7.455839
_cell_length_c 8.43336493
_cell_angle_alpha 70.41666927999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
AddAtomAction | ad443099-2c34-40e8-bb7f-0c723bff8e68 | mp-722910 | Add one Rn atom at the Cartesian coordinate [2.048 3.261 2.789] to the cif file. | data_image0
_chemical_formula_structural K4B12H10N2O4
_chemical_formula_sum "K4 B12 H10 N2 O4"
_cell_length_a 9.0225729
_cell_length_b 9.0225729
_cell_length_c 8.219378
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.79420608
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4B12H10N2O4Rn
_chemical_formula_sum "K4 B12 H10 N2 O4 Rn1"
_cell_length_a 9.0225729
_cell_length_b 9.0225729
_cell_length_c 8.219378
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.79420608
_space_group_name_H-M... |
AddAtomAction | c042f04f-d969-4a72-bd71-10866af12788 | mp-1113451 | Add one Pb atom at the Cartesian coordinate [6.828 5.181 0.1 ] to the cif file. | data_image0
_chemical_formula_structural Cs2ScAgBr6
_chemical_formula_sum "Cs2 Sc1 Ag1 Br6"
_cell_length_a 7.8941599
_cell_length_b 7.8941599
_cell_length_c 7.8941599
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural Cs2ScAgBr6Pb
_chemical_formula_sum "Cs2 Sc1 Ag1 Br6 Pb1"
_cell_length_a 7.8941599
_cell_length_b 7.8941599
_cell_length_c 7.8941599
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
AddAtomAction | 28582c72-13bd-43fb-bfcb-7934edacf13b | mp-12611 | Add one Br atom at the Cartesian coordinate [0.482 3.213 2.002] to the cif file. | data_image0
_chemical_formula_structural Ca3Ga8
_chemical_formula_sum "Ca3 Ga8"
_cell_length_a 4.26788338
_cell_length_b 4.29781021
_cell_length_c 13.10926426
_cell_angle_alpha 99.43465476
_cell_angle_beta 99.36835284000001
_cell_angle_gamma 90.00000172
_space_group_name_... | data_image0
_chemical_formula_structural Ca3Ga8Br
_chemical_formula_sum "Ca3 Ga8 Br1"
_cell_length_a 4.26788338
_cell_length_b 4.29781021
_cell_length_c 13.10926426
_cell_angle_alpha 99.43465476
_cell_angle_beta 99.36835284000001
_cell_angle_gamma 90.00000172
_space_group... |
AddAtomAction | f0119b7a-ed3e-4d9d-8d68-9479a0bd8ddf | mp-768696 | Add one Lu atom at the Cartesian coordinate [4.18 0.776 1.482] to the cif file. | data_image0
_chemical_formula_structural Li6Cr6Fe2O16
_chemical_formula_sum "Li6 Cr6 Fe2 O16"
_cell_length_a 5.14531155
_cell_length_b 7.79461858
_cell_length_c 7.75117187
_cell_angle_alpha 81.86831959
_cell_angle_beta 70.76188174999999
_cell_angle_gamma 84.04967228
_spac... | data_image0
_chemical_formula_structural Li6Cr6Fe2O16Lu
_chemical_formula_sum "Li6 Cr6 Fe2 O16 Lu1"
_cell_length_a 5.14531155
_cell_length_b 7.79461858
_cell_length_c 7.75117187
_cell_angle_alpha 81.86831959
_cell_angle_beta 70.76188174999999
_cell_angle_gamma 84.04967228
... |
AddAtomAction | 98c0e767-1b8e-4a34-a96b-84c1fb3c726d | mp-985591 | Add one U atom at the Cartesian coordinate [9.479 4.962 2.654] to the cif file. | data_image0
_chemical_formula_structural Li6PS5Br
_chemical_formula_sum "Li6 P1 S5 Br1"
_cell_length_a 7.28689094
_cell_length_b 7.286890940000001
_cell_length_c 7.286890939999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.... | data_image0
_chemical_formula_structural Li6PS5BrU
_chemical_formula_sum "Li6 P1 S5 Br1 U1"
_cell_length_a 7.28689094
_cell_length_b 7.286890940000001
_cell_length_c 7.286890939999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
AddAtomAction | 629471c7-df2e-4f98-b449-9ef69d6bc3dc | mp-766542 | Add one Tm atom at the Cartesian coordinate [1.546 0.411 5.511] to the cif file. | data_image0
_chemical_formula_structural Li4Fe4Si4O16
_chemical_formula_sum "Li4 Fe4 Si4 O16"
_cell_length_a 5.101228
_cell_length_b 6.381028
_cell_length_c 10.84451
_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 Li4Fe4Si4O16Tm
_chemical_formula_sum "Li4 Fe4 Si4 O16 Tm1"
_cell_length_a 5.101228
_cell_length_b 6.381028
_cell_length_c 10.84451
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
AddAtomAction | 0c8adbf9-2541-4e90-b3f9-1d1822ed9341 | mp-780315 | Add one Th atom at the Cartesian coordinate [4.94 6.801 6.54 ] to the cif file. | data_image0
_chemical_formula_structural Li4Cr2Fe3O10
_chemical_formula_sum "Li4 Cr2 Fe3 O10"
_cell_length_a 5.114969
_cell_length_b 5.13503036
_cell_length_c 7.829969649999999
_cell_angle_alpha 72.33638857
_cell_angle_beta 72.04430987
_cell_angle_gamma 80.09595811
_space... | data_image0
_chemical_formula_structural Li4Cr2Fe3O10Th
_chemical_formula_sum "Li4 Cr2 Fe3 O10 Th1"
_cell_length_a 5.114969
_cell_length_b 5.13503036
_cell_length_c 7.829969649999999
_cell_angle_alpha 72.33638857
_cell_angle_beta 72.04430987
_cell_angle_gamma 80.09595811
... |
AddAtomAction | 0a5afbd7-783a-4356-b478-9d4562a9332c | mp-1245070 | Add one Cn atom at the Cartesian coordinate [6.466 6.042 2.588] to the cif file. | data_image0
_chemical_formula_structural Zn50S50
_chemical_formula_sum "Zn50 S50"
_cell_length_a 13.63140563
_cell_length_b 14.017072280000002
_cell_length_c 12.744054180000001
_cell_angle_alpha 90.14536832
_cell_angle_beta 90.00963385
_cell_angle_gamma 89.63804257000001
... | data_image0
_chemical_formula_structural Zn50S50Cn
_chemical_formula_sum "Zn50 S50 Cn1"
_cell_length_a 13.63140563
_cell_length_b 14.017072280000002
_cell_length_c 12.744054180000001
_cell_angle_alpha 90.14536832
_cell_angle_beta 90.00963385
_cell_angle_gamma 89.6380425700... |
AddAtomAction | d450141e-29e7-4b7c-8bef-6ff413f4f59e | mp-673174 | Add one Np atom at the Cartesian coordinate [3.909 1.692 2.33 ] 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 Fe24N9Np
_chemical_formula_sum "Fe24 N9 Np1"
_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 | b8cedd19-2aa4-4ff8-b860-291da5decd91 | mp-1203548 | Add one Se atom at the Cartesian coordinate [5.342 7.608 7.509] to the cif file. | data_image0
_chemical_formula_structural Cd6Se8O24
_chemical_formula_sum "Cd6 Se8 O24"
_cell_length_a 9.535666
_cell_length_b 7.426734
_cell_length_c 9.487163359999998
_cell_angle_alpha 66.99712660999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Cd6Se8O24Se
_chemical_formula_sum "Cd6 Se9 O24"
_cell_length_a 9.535666
_cell_length_b 7.426734
_cell_length_c 9.487163359999998
_cell_angle_alpha 66.99712660999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
AddAtomAction | e3917eec-75e0-4452-8664-afd1a91e9ebf | mp-1247259 | Add one Na atom at the Cartesian coordinate [0.324 1.955 2.537] to the cif file. | data_image0
_chemical_formula_structural Ca6Rh2N6
_chemical_formula_sum "Ca6 Rh2 N6"
_cell_length_a 7.29271414
_cell_length_b 7.29724511
_cell_length_c 4.95551802
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.77866697999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ca6Rh2N6Na
_chemical_formula_sum "Ca6 Rh2 N6 Na1"
_cell_length_a 7.29271414
_cell_length_b 7.29724511
_cell_length_c 4.95551802
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.77866697999998
_space_group_name_H-M... |
AddAtomAction | 39a171b3-e352-445e-adbc-10cc4269a4c2 | mp-1209956 | Add one Co atom at the Cartesian coordinate [4.681 1.882 0.924] to the cif file. | data_image0
_chemical_formula_structural NaTbPd6O8
_chemical_formula_sum "Na1 Tb1 Pd6 O8"
_cell_length_a 5.835133
_cell_length_b 5.835133
_cell_length_c 5.835133
_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 NaTbPd6O8Co
_chemical_formula_sum "Na1 Tb1 Pd6 O8 Co1"
_cell_length_a 5.835133
_cell_length_b 5.835133
_cell_length_c 5.835133
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
AddAtomAction | bff85cd0-e8fd-4e7e-8fcc-4e175f25ae7d | mp-1204445 | Add one Sm atom at the Cartesian coordinate [1.559 5.394 0.398] to the cif file. | data_image0
_chemical_formula_structural Th2H4S6O24
_chemical_formula_sum "Th2 H4 S6 O24"
_cell_length_a 5.790092
_cell_length_b 9.23420924
_cell_length_c 9.80005057
_cell_angle_alpha 65.03082046000002
_cell_angle_beta 87.90115954
_cell_angle_gamma 89.00970674
_space_grou... | data_image0
_chemical_formula_structural Th2H4S6O24Sm
_chemical_formula_sum "Th2 H4 S6 O24 Sm1"
_cell_length_a 5.790092
_cell_length_b 9.23420924
_cell_length_c 9.80005057
_cell_angle_alpha 65.03082046000002
_cell_angle_beta 87.90115954
_cell_angle_gamma 89.00970674
_spac... |
AddAtomAction | 7c23b971-4059-46c4-8a30-689bf7130985 | mp-755220 | Add one Hg atom at the Cartesian coordinate [8.641 3.102 2.981] to the cif file. | data_image0
_chemical_formula_structural Li3CrNi3O8
_chemical_formula_sum "Li3 Cr1 Ni3 O8"
_cell_length_a 5.83594517
_cell_length_b 5.83594517
_cell_length_c 5.84957653
_cell_angle_alpha 60.50939455000001
_cell_angle_beta 60.50939455000001
_cell_angle_gamma 59.17975227
_s... | data_image0
_chemical_formula_structural Li3CrNi3O8Hg
_chemical_formula_sum "Li3 Cr1 Ni3 O8 Hg1"
_cell_length_a 5.83594517
_cell_length_b 5.83594517
_cell_length_c 5.84957653
_cell_angle_alpha 60.50939455000001
_cell_angle_beta 60.50939455000001
_cell_angle_gamma 59.179752... |
AddAtomAction | a790e17d-70b7-4af0-a4d5-7d2f935d3f51 | mp-28295 | Add one Rn atom at the Cartesian coordinate [1.263 1.786 6.083] to the cif file. | data_image0
_chemical_formula_structural Cs2I2O6
_chemical_formula_sum "Cs2 I2 O6"
_cell_length_a 4.66904371
_cell_length_b 6.601774169999999
_cell_length_c 6.61473721
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.99353567
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs2I2O6Rn
_chemical_formula_sum "Cs2 I2 O6 Rn1"
_cell_length_a 4.66904371
_cell_length_b 6.601774169999999
_cell_length_c 6.61473721
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.99353567
_space_group_name_H-M_a... |
AddAtomAction | 5e848a09-b1fe-4a0c-a029-dce9166d91bd | mp-1200879 | Add one Mt atom at the Cartesian coordinate [2.354 2.351 5.264] to the cif file. | data_image0
_chemical_formula_structural Y6Ge26Pt8
_chemical_formula_sum "Y6 Ge26 Pt8"
_cell_length_a 9.10970153
_cell_length_b 9.10970153
_cell_length_c 9.17047569
_cell_angle_alpha 89.65004786
_cell_angle_beta 89.65004786
_cell_angle_gamma 89.92926009000001
_space_group... | data_image0
_chemical_formula_structural Y6Ge26Pt8Mt
_chemical_formula_sum "Y6 Ge26 Pt8 Mt1"
_cell_length_a 9.10970153
_cell_length_b 9.10970153
_cell_length_c 9.17047569
_cell_angle_alpha 89.65004786
_cell_angle_beta 89.65004786
_cell_angle_gamma 89.92926009000001
_space... |
AddAtomAction | 9406e470-2a6d-4280-855e-8989611b13fa | mp-1026800 | Add one Fm atom at the Cartesian coordinate [1.101 2.981 0.384] to the cif file. | data_image0
_chemical_formula_structural Mg14SiC
_chemical_formula_sum "Mg14 Si1 C1"
_cell_length_a 6.37468633
_cell_length_b 7.79018563
_cell_length_c 8.47410854
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 127.66366127
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Mg14SiCFm
_chemical_formula_sum "Mg14 Si1 C1 Fm1"
_cell_length_a 6.37468633
_cell_length_b 7.79018563
_cell_length_c 8.47410854
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 127.66366127
_space_group_name_H-M_alt ... |
AddAtomAction | 368d1216-4e0e-4d43-b1f0-fb9f8b1ab6eb | mp-756068 | Add one Li atom at the Cartesian coordinate [4.689 1.828 1.13 ] to the cif file. | data_image0
_chemical_formula_structural Li4V4O4F12
_chemical_formula_sum "Li4 V4 O4 F12"
_cell_length_a 5.144357
_cell_length_b 6.033028
_cell_length_c 9.903223
_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 Li4V4O4F12Li
_chemical_formula_sum "Li5 V4 O4 F12"
_cell_length_a 5.144357
_cell_length_b 6.033028
_cell_length_c 9.903223
_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 | 2eb02ae6-8a5b-4bec-9f9f-c1d7128a1c80 | mp-600154 | Add one Lv atom at the Cartesian coordinate [ 7.842 4.81 10.24 ] to the cif file. | data_image0
_chemical_formula_structural K4Cu2H16C8O24
_chemical_formula_sum "K4 Cu2 H16 C8 O24"
_cell_length_a 14.876185
_cell_length_b 3.89234
_cell_length_c 11.41313892
_cell_angle_alpha 73.48774049999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... | data_image0
_chemical_formula_structural K4Cu2H16C8O24Lv
_chemical_formula_sum "K4 Cu2 H16 C8 O24 Lv1"
_cell_length_a 14.876185
_cell_length_b 3.89234
_cell_length_c 11.41313892
_cell_angle_alpha 73.48774049999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
AddAtomAction | d4992ae8-c4a4-4f3d-bc2b-a6f38bdb87c6 | mp-1022597 | Add one Tc atom at the Cartesian coordinate [0.317 2.093 3.985] to the cif file. | data_image0
_chemical_formula_structural Li2Mg12Zn2
_chemical_formula_sum "Li2 Mg12 Zn2"
_cell_length_a 5.039699
_cell_length_b 6.281844
_cell_length_c 10.75027
_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 Li2Mg12Zn2Tc
_chemical_formula_sum "Li2 Mg12 Zn2 Tc1"
_cell_length_a 5.039699
_cell_length_b 6.281844
_cell_length_c 10.75027
_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 | b4e47ebe-e704-41e4-963c-3208804aa4ad | mp-1180177 | Add one Kr atom at the Cartesian coordinate [4.191 6.563 6.884] to the cif file. | data_image0
_chemical_formula_structural Mn4N4Cl12
_chemical_formula_sum "Mn4 N4 Cl12"
_cell_length_a 6.64319472
_cell_length_b 6.64319472
_cell_length_c 9.495138
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.34296178
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Mn4N4Cl12Kr
_chemical_formula_sum "Mn4 N4 Cl12 Kr1"
_cell_length_a 6.64319472
_cell_length_b 6.64319472
_cell_length_c 9.495138
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.34296178
_space_group_name_H-M_alt ... |
AddAtomAction | ec1ce3fb-6089-4a3c-8fd4-371efb5ccfa2 | mp-1175386 | Add one Cd atom at the Cartesian coordinate [2.696 3.02 1.636] to the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.044997
_cell_length_b 6.58957371
_cell_length_c 8.8970701
_cell_angle_alpha 97.82224007
_cell_angle_beta 96.29207072000001
_cell_angle_gamma 97.54886918
_space_g... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Cd
_chemical_formula_sum "Li9 Mn2 Co5 O16 Cd1"
_cell_length_a 5.044997
_cell_length_b 6.58957371
_cell_length_c 8.8970701
_cell_angle_alpha 97.82224007
_cell_angle_beta 96.29207072000001
_cell_angle_gamma 97.54886918
_s... |
AddAtomAction | 271b8e37-06e1-466d-aea4-2db4ab2a8cba | mp-18973 | Add one Xe atom at the Cartesian coordinate [2.27 2.078 5.821] 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 Co4Se8O20Xe
_chemical_formula_sum "Co4 Se8 O20 Xe1"
_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 | 90be9d24-3d97-4d9d-b3b5-babdb6299053 | mp-1045114 | Add one I atom at the Cartesian coordinate [0.809 5.789 5.024] to the cif file. | data_image0
_chemical_formula_structural Al2V6Se4Cl2O16
_chemical_formula_sum "Al2 V6 Se4 Cl2 O16"
_cell_length_a 6.64995
_cell_length_b 8.00421245
_cell_length_c 9.98110253
_cell_angle_alpha 90.95969209
_cell_angle_beta 104.33704289
_cell_angle_gamma 90.33209238
_space_g... | data_image0
_chemical_formula_structural Al2V6Se4Cl2O16I
_chemical_formula_sum "Al2 V6 Se4 Cl2 O16 I1"
_cell_length_a 6.64995
_cell_length_b 8.00421245
_cell_length_c 9.98110253
_cell_angle_alpha 90.95969209
_cell_angle_beta 104.33704289
_cell_angle_gamma 90.33209238
_spa... |
AddAtomAction | 0d473fff-3fa2-4329-a253-a59a5737aa6a | mp-28457 | Add one Y atom at the Cartesian coordinate [19.411 7.735 3.79 ] to the cif file. | data_image0
_chemical_formula_structural Ba2Ta15O32
_chemical_formula_sum "Ba2 Ta15 O32"
_cell_length_a 12.7109296
_cell_length_b 12.71092961
_cell_length_c 12.71092891
_cell_angle_alpha 35.78676115999999
_cell_angle_beta 35.786761150000004
_cell_angle_gamma 35.78675881999... | data_image0
_chemical_formula_structural Ba2Ta15O32Y
_chemical_formula_sum "Ba2 Ta15 O32 Y1"
_cell_length_a 12.7109296
_cell_length_b 12.71092961
_cell_length_c 12.71092891
_cell_angle_alpha 35.78676115999999
_cell_angle_beta 35.786761150000004
_cell_angle_gamma 35.7867588... |
AddAtomAction | 25d9a40f-ad91-4b57-ae32-ee35d1cf741b | mp-556103 | Add one Rg atom at the Cartesian coordinate [10.692 0.326 7.319] to the cif file. | data_image0
_chemical_formula_structural Cs18Ga12F54
_chemical_formula_sum "Cs18 Ga12 F54"
_cell_length_a 11.11359783
_cell_length_b 11.11359783
_cell_length_c 15.215299
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999899
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs18Ga12F54Rg
_chemical_formula_sum "Cs18 Ga12 F54 Rg1"
_cell_length_a 11.11359783
_cell_length_b 11.11359783
_cell_length_c 15.215299
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999899
_space_group_name_H-... |
AddAtomAction | da62d8cf-fa9d-46d7-802a-fe9e58ba92b9 | mp-560175 | Add one Rb atom at the Cartesian coordinate [ 2.111 -1.104 5.264] to the cif file. | data_image0
_chemical_formula_structural Na8Th2Mo8O32
_chemical_formula_sum "Na8 Th2 Mo8 O32"
_cell_length_a 10.18177095
_cell_length_b 10.18177095
_cell_length_c 10.18177095
_cell_angle_alpha 110.81801909
_cell_angle_beta 110.81801909
_cell_angle_gamma 106.80995467
_spac... | data_image0
_chemical_formula_structural Na8Th2Mo8O32Rb
_chemical_formula_sum "Na8 Th2 Mo8 O32 Rb1"
_cell_length_a 10.18177095
_cell_length_b 10.18177095
_cell_length_c 10.18177095
_cell_angle_alpha 110.81801909
_cell_angle_beta 110.81801909
_cell_angle_gamma 106.80995467
... |
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