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 | bb55fae6-1c05-4038-95f2-c6e09abf3010 | mp-753883 | Add one As atom at the Cartesian coordinate [-0.224 1.5 8.271] to the cif file. | data_image0
_chemical_formula_structural La4Bi2O9
_chemical_formula_sum "La4 Bi2 O9"
_cell_length_a 5.848957
_cell_length_b 5.85465833
_cell_length_c 9.236225210000002
_cell_angle_alpha 107.93200039
_cell_angle_beta 93.52215625
_cell_angle_gamma 91.30189329999999
_space_g... | data_image0
_chemical_formula_structural La4Bi2O9As
_chemical_formula_sum "La4 Bi2 O9 As1"
_cell_length_a 5.848957
_cell_length_b 5.85465833
_cell_length_c 9.236225210000002
_cell_angle_alpha 107.93200039
_cell_angle_beta 93.52215625
_cell_angle_gamma 91.30189329999999
_s... |
AddAtomAction | 7fcce559-e255-4b5f-a55a-1eeb83cba99f | mp-1031226 | Add one Co atom at the Cartesian coordinate [5.271 3.143 3.845] to the cif file. | data_image0
_chemical_formula_structural RbMg6TiO8
_chemical_formula_sum "Rb1 Mg6 Ti1 O8"
_cell_length_a 8.65829641
_cell_length_b 4.61044527
_cell_length_c 4.61044527
_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 RbMg6TiO8Co
_chemical_formula_sum "Rb1 Mg6 Ti1 O8 Co1"
_cell_length_a 8.65829641
_cell_length_b 4.61044527
_cell_length_c 4.61044527
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
AddAtomAction | b5523dba-9c81-443f-ab1c-5b1de44932e8 | mp-1238897 | Add one Zr atom at the Cartesian coordinate [4.776 5.254 1.008] to the cif file. | data_image0
_chemical_formula_structural Ti4Cr4Ag4S16
_chemical_formula_sum "Ti4 Cr4 Ag4 S16"
_cell_length_a 6.475615
_cell_length_b 7.69109295
_cell_length_c 12.85135469
_cell_angle_alpha 98.47946294
_cell_angle_beta 95.52817443
_cell_angle_gamma 89.94978949999998
_space... | data_image0
_chemical_formula_structural Ti4Cr4Ag4S16Zr
_chemical_formula_sum "Ti4 Cr4 Ag4 S16 Zr1"
_cell_length_a 6.475615
_cell_length_b 7.69109295
_cell_length_c 12.85135469
_cell_angle_alpha 98.47946294
_cell_angle_beta 95.52817443
_cell_angle_gamma 89.94978949999998
... |
AddAtomAction | 238f0fb9-0d22-4e63-a577-6e84fa991111 | mp-1182886 | Add one Lv atom at the Cartesian coordinate [0.865 8.415 8.844] to the cif file. | data_image0
_chemical_formula_structural Al8O24
_chemical_formula_sum "Al8 O24"
_cell_length_a 5.430238
_cell_length_b 8.937896
_cell_length_c 12.15981255
_cell_angle_alpha 49.744131579999994
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Al8O24Lv
_chemical_formula_sum "Al8 O24 Lv1"
_cell_length_a 5.430238
_cell_length_b 8.937896
_cell_length_c 12.15981255
_cell_angle_alpha 49.744131579999994
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 59d07d17-c692-48ce-8b19-b68e80b3d78e | mp-780571 | Add one Cr atom at the Cartesian coordinate [1.139 0.71 4.005] to the cif file. | data_image0
_chemical_formula_structural Li6Mn8B8O24
_chemical_formula_sum "Li6 Mn8 B8 O24"
_cell_length_a 6.192752
_cell_length_b 9.07713544
_cell_length_c 9.67224295
_cell_angle_alpha 78.03873525
_cell_angle_beta 80.14275177
_cell_angle_gamma 72.81904888000001
_space_gr... | data_image0
_chemical_formula_structural Li6Mn8B8O24Cr
_chemical_formula_sum "Li6 Mn8 B8 O24 Cr1"
_cell_length_a 6.192752
_cell_length_b 9.07713544
_cell_length_c 9.67224295
_cell_angle_alpha 78.03873525
_cell_angle_beta 80.14275177
_cell_angle_gamma 72.81904888000001
_sp... |
AddAtomAction | 5676a888-2c96-4580-be38-926593298f2e | mp-1210244 | Add one O atom at the Cartesian coordinate [1.523 8.304 2.096] to the cif file. | data_image0
_chemical_formula_structural Pr46Mg8Pt14
_chemical_formula_sum "Pr46 Mg8 Pt14"
_cell_length_a 10.22769297
_cell_length_b 10.227692969999998
_cell_length_c 23.10771016
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000229
_space_group_name... | data_image0
_chemical_formula_structural Pr46Mg8Pt14O
_chemical_formula_sum "Pr46 Mg8 Pt14 O1"
_cell_length_a 10.22769297
_cell_length_b 10.227692969999998
_cell_length_c 23.10771016
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000229
_space_group_... |
AddAtomAction | 850f7ab9-ae07-4083-b8bf-9ca7e8045f95 | mp-1094113 | Add one Np atom at the Cartesian coordinate [0.048 6.776 1.237] to the cif file. | data_image0
_chemical_formula_structural Na4V8P8O36
_chemical_formula_sum "Na4 V8 P8 O36"
_cell_length_a 6.453138
_cell_length_b 7.676809
_cell_length_c 14.065464
_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 Na4V8P8O36Np
_chemical_formula_sum "Na4 V8 P8 O36 Np1"
_cell_length_a 6.453138
_cell_length_b 7.676809
_cell_length_c 14.065464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
AddAtomAction | 5bd1f402-ab91-4fe6-b5e9-6fd40a05e819 | mp-1192032 | Add one Sn atom at the Cartesian coordinate [0.759 0.24 1.005] to the cif file. | data_image0
_chemical_formula_structural NaSr3Be3B3O9F4
_chemical_formula_sum "Na1 Sr3 Be3 B3 O9 F4"
_cell_length_a 6.76163682
_cell_length_b 6.761636819999999
_cell_length_c 6.76163698
_cell_angle_alpha 103.68584915
_cell_angle_beta 103.68584915
_cell_angle_gamma 103.6858... | data_image0
_chemical_formula_structural NaSr3Be3B3O9F4Sn
_chemical_formula_sum "Na1 Sr3 Be3 B3 O9 F4 Sn1"
_cell_length_a 6.76163682
_cell_length_b 6.761636819999999
_cell_length_c 6.76163698
_cell_angle_alpha 103.68584915
_cell_angle_beta 103.68584915
_cell_angle_gamma 10... |
AddAtomAction | 14292bf9-a522-4bb4-9934-b6f4190132ef | mp-2232164 | Add one C atom at the Cartesian coordinate [4.095 3.736 2.012] to the cif file. | data_image0
_chemical_formula_structural MgMn4Ni2O8
_chemical_formula_sum "Mg1 Mn4 Ni2 O8"
_cell_length_a 6.19030256
_cell_length_b 6.19030258
_cell_length_c 6.5341021
_cell_angle_alpha 58.14515097000001
_cell_angle_beta 58.14514497
_cell_angle_gamma 59.50659378000001
_sp... | data_image0
_chemical_formula_structural MgMn4Ni2O8C
_chemical_formula_sum "Mg1 Mn4 Ni2 O8 C1"
_cell_length_a 6.19030256
_cell_length_b 6.19030258
_cell_length_c 6.5341021
_cell_angle_alpha 58.14515097000001
_cell_angle_beta 58.14514497
_cell_angle_gamma 59.50659378000001
... |
AddAtomAction | ae7e7299-7cc5-4f79-b028-e5eb9d6d172c | mp-1223746 | Add one Xe atom at the Cartesian coordinate [11.538 2.937 5.672] to the cif file. | data_image0
_chemical_formula_structural InSb3Pb4O13
_chemical_formula_sum "In1 Sb3 Pb4 O13"
_cell_length_a 7.58615153
_cell_length_b 7.58615153
_cell_length_c 7.586150980000001
_cell_angle_alpha 60.338341190000016
_cell_angle_beta 60.338341190000016
_cell_angle_gamma 60.3... | data_image0
_chemical_formula_structural InSb3Pb4O13Xe
_chemical_formula_sum "In1 Sb3 Pb4 O13 Xe1"
_cell_length_a 7.58615153
_cell_length_b 7.58615153
_cell_length_c 7.586150980000001
_cell_angle_alpha 60.338341190000016
_cell_angle_beta 60.338341190000016
_cell_angle_gamma ... |
AddAtomAction | b7358d39-688f-48c9-8918-f954a710c737 | mp-1045731 | Add one Eu atom at the Cartesian coordinate [17.894 5.723 11.623] to the cif file. | data_image0
_chemical_formula_structural Ca8Sb8As16Se8O56
_chemical_formula_sum "Ca8 Sb8 As16 Se8 O56"
_cell_length_a 11.04231938
_cell_length_b 13.262266809999998
_cell_length_c 13.259987380000002
_cell_angle_alpha 80.0333665
_cell_angle_beta 65.41174568
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Ca8Sb8As16Se8O56Eu
_chemical_formula_sum "Ca8 Sb8 As16 Se8 O56 Eu1"
_cell_length_a 11.04231938
_cell_length_b 13.262266809999998
_cell_length_c 13.259987380000002
_cell_angle_alpha 80.0333665
_cell_angle_beta 65.41174568
_cell_angle_ga... |
AddAtomAction | 57afea39-ff2b-4dd0-9801-208bbef796f1 | mp-11726 | Add one P atom at the Cartesian coordinate [4.985 2.834 0.268] to the cif file. | data_image0
_chemical_formula_structural La2Si8Ni18
_chemical_formula_sum "La2 Si8 Ni18"
_cell_length_a 7.9671485
_cell_length_b 7.9671485
_cell_length_c 7.9671485
_cell_angle_alpha 121.00716573999998
_cell_angle_beta 121.00716574
_cell_angle_gamma 88.26421403
_space_grou... | data_image0
_chemical_formula_structural La2Si8Ni18P
_chemical_formula_sum "La2 Si8 Ni18 P1"
_cell_length_a 7.9671485
_cell_length_b 7.9671485
_cell_length_c 7.9671485
_cell_angle_alpha 121.00716573999998
_cell_angle_beta 121.00716574
_cell_angle_gamma 88.26421403
_space_... |
AddAtomAction | 8a520aa2-b8da-46b0-a5eb-8883dc964d07 | mp-567505 | Add one La atom at the Cartesian coordinate [1.688 0.885 7.165] 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 Si8C8La
_chemical_formula_sum "Si8 C8 La1"
_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 | a03d9cb1-3132-4c2e-955f-fa7402893373 | mp-557006 | Add one Se atom at the Cartesian coordinate [7.46 0.808 7.726] to the cif file. | data_image0
_chemical_formula_structural Na8Sb4S4O16F12
_chemical_formula_sum "Na8 Sb4 S4 O16 F12"
_cell_length_a 8.25681579
_cell_length_b 8.25681579
_cell_length_c 11.02966494
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 129.24259993
_space_group_name_... | data_image0
_chemical_formula_structural Na8Sb4S4O16F12Se
_chemical_formula_sum "Na8 Sb4 S4 O16 F12 Se1"
_cell_length_a 8.25681579
_cell_length_b 8.25681579
_cell_length_c 11.02966494
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 129.24259993
_space_group... |
AddAtomAction | 726bb63d-3d4b-4cda-a0bd-35ed69b509b5 | mp-1246483 | Add one Ts atom at the Cartesian coordinate [3.948 1.909 4.464] to the cif file. | data_image0
_chemical_formula_structural Li12Re2N8
_chemical_formula_sum "Li12 Re2 N8"
_cell_length_a 6.739893
_cell_length_b 6.739893
_cell_length_c 4.877962
_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 Li12Re2N8Ts
_chemical_formula_sum "Li12 Re2 N8 Ts1"
_cell_length_a 6.739893
_cell_length_b 6.739893
_cell_length_c 4.877962
_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 | 09940dce-3d30-42cf-9b3d-be95789f1255 | mp-1200471 | Add one Cr atom at the Cartesian coordinate [1.222 6.15 2.024] to the cif file. | data_image0
_chemical_formula_structural CsV3B2P4H8O22
_chemical_formula_sum "Cs1 V3 B2 P4 H8 O22"
_cell_length_a 10.54751473
_cell_length_b 10.54751473
_cell_length_c 5.1309377199999995
_cell_angle_alpha 80.72800578
_cell_angle_beta 80.72800578
_cell_angle_gamma 125.37907... | data_image0
_chemical_formula_structural CsV3B2P4H8O22Cr
_chemical_formula_sum "Cs1 V3 B2 P4 H8 O22 Cr1"
_cell_length_a 10.54751473
_cell_length_b 10.54751473
_cell_length_c 5.1309377199999995
_cell_angle_alpha 80.72800578
_cell_angle_beta 80.72800578
_cell_angle_gamma 125... |
AddAtomAction | e4e5d8f4-cd02-47fb-a2fc-535f5bc7a528 | mp-504105 | Add one Pb atom at the Cartesian coordinate [0.383 1.894 0.915] to the cif file. | data_image0
_chemical_formula_structural Li4P4W4O16
_chemical_formula_sum "Li4 P4 W4 O16"
_cell_length_a 4.689516
_cell_length_b 6.124034
_cell_length_c 11.217227
_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 Li4P4W4O16Pb
_chemical_formula_sum "Li4 P4 W4 O16 Pb1"
_cell_length_a 4.689516
_cell_length_b 6.124034
_cell_length_c 11.217227
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
AddAtomAction | f9143401-72ca-4878-87af-2e13e5f6b0bb | mp-1239200 | Add one Tm atom at the Cartesian coordinate [ 2.404 4.93 11.273] to the cif file. | data_image0
_chemical_formula_structural Na8Cr16S32
_chemical_formula_sum "Na8 Cr16 S32"
_cell_length_a 11.588982
_cell_length_b 7.263585
_cell_length_c 12.057199
_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 Na8Cr16S32Tm
_chemical_formula_sum "Na8 Cr16 S32 Tm1"
_cell_length_a 11.588982
_cell_length_b 7.263585
_cell_length_c 12.057199
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
AddAtomAction | 1f07f1cb-d1a4-487b-b484-f1edbd39d4f4 | mp-571622 | Add one C atom at the Cartesian coordinate [-0.773 -1.557 4.741] to the cif file. | data_image0
_chemical_formula_structural Be12Pt
_chemical_formula_sum "Be12 Pt1"
_cell_length_a 5.53737645
_cell_length_b 5.53737645
_cell_length_c 5.537376450000001
_cell_angle_alpha 98.1544715
_cell_angle_beta 98.1544715
_cell_angle_gamma 135.75109005
_space_group_name_... | data_image0
_chemical_formula_structural Be12PtC
_chemical_formula_sum "Be12 Pt1 C1"
_cell_length_a 5.53737645
_cell_length_b 5.53737645
_cell_length_c 5.537376450000001
_cell_angle_alpha 98.1544715
_cell_angle_beta 98.1544715
_cell_angle_gamma 135.75109005
_space_group_n... |
AddAtomAction | 7a7027f9-41b2-48b1-b6b4-8f4409ace483 | mp-690490 | Add one Np atom at the Cartesian coordinate [1.898 4.371 4.901] 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 Ti4V4O16Np
_chemical_formula_sum "Ti4 V4 O16 Np1"
_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"
_s... |
AddAtomAction | a1d44ea0-2c4a-4dc8-b2c9-3e512b0ee15e | mp-757606 | Add one Fe atom at the Cartesian coordinate [ 5.656 -1.594 8.093] to the cif file. | data_image0
_chemical_formula_structural Li4Ni4P4O16
_chemical_formula_sum "Li4 Ni4 P4 O16"
_cell_length_a 5.49464502
_cell_length_b 6.239611080000001
_cell_length_c 9.28187495
_cell_angle_alpha 105.10267002000002
_cell_angle_beta 80.98396444
_cell_angle_gamma 103.96264312... | data_image0
_chemical_formula_structural Li4Ni4P4O16Fe
_chemical_formula_sum "Li4 Ni4 P4 O16 Fe1"
_cell_length_a 5.49464502
_cell_length_b 6.239611080000001
_cell_length_c 9.28187495
_cell_angle_alpha 105.10267002000002
_cell_angle_beta 80.98396444
_cell_angle_gamma 103.96... |
AddAtomAction | 3b51a9b3-12e5-40d8-9613-61290c69d34a | mp-3188 | Add one Nb atom at the Cartesian coordinate [1.119 4.428 8.668] to the cif file. | data_image0
_chemical_formula_structural Zn2Sb4O12
_chemical_formula_sum "Zn2 Sb4 O12"
_cell_length_a 4.6784296
_cell_length_b 4.6784296
_cell_length_c 9.30171104
_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 Zn2Sb4O12Nb
_chemical_formula_sum "Zn2 Sb4 O12 Nb1"
_cell_length_a 4.6784296
_cell_length_b 4.6784296
_cell_length_c 9.30171104
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
AddAtomAction | dd41a7d4-a5e2-489b-9f52-ae1511fd39c8 | mp-1096957 | Add one Hg atom at the Cartesian coordinate [ 3.457 0.894 11.373] to the cif file. | data_image0
_chemical_formula_structural Cr24N48
_chemical_formula_sum "Cr24 N48"
_cell_length_a 5.55733
_cell_length_b 9.009159
_cell_length_c 29.151278
_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 Cr24N48Hg
_chemical_formula_sum "Cr24 N48 Hg1"
_cell_length_a 5.55733
_cell_length_b 9.009159
_cell_length_c 29.151278
_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 | 88accf24-3e49-43fa-adb3-ff1f835ae80d | mp-30533 | Add one Ga atom at the Cartesian coordinate [7.716 3.922 1.598] to the cif file. | data_image0
_chemical_formula_structural K2Pt4S6
_chemical_formula_sum "K2 Pt4 S6"
_cell_length_a 7.6089531
_cell_length_b 7.60895477
_cell_length_c 7.60895312
_cell_angle_alpha 55.51466393000001
_cell_angle_beta 55.51466044
_cell_angle_gamma 55.51466319
_space_group_name... | data_image0
_chemical_formula_structural K2Pt4S6Ga
_chemical_formula_sum "K2 Pt4 S6 Ga1"
_cell_length_a 7.6089531
_cell_length_b 7.60895477
_cell_length_c 7.60895312
_cell_angle_alpha 55.51466393000001
_cell_angle_beta 55.51466044
_cell_angle_gamma 55.51466319
_space_grou... |
AddAtomAction | 51495b2e-25ab-412b-b60f-eca898b5dc54 | mp-1229042 | Add one Og atom at the Cartesian coordinate [0.42 4.372 1.032] to the cif file. | data_image0
_chemical_formula_structural Al9Fe2Si4O24
_chemical_formula_sum "Al9 Fe2 Si4 O24"
_cell_length_a 9.27066262
_cell_length_b 9.27066262
_cell_length_c 5.71036493
_cell_angle_alpha 89.69804354
_cell_angle_beta 89.69804354
_cell_angle_gamma 129.63019072
_space_gro... | data_image0
_chemical_formula_structural Al9Fe2Si4O24Og
_chemical_formula_sum "Al9 Fe2 Si4 O24 Og1"
_cell_length_a 9.27066262
_cell_length_b 9.27066262
_cell_length_c 5.71036493
_cell_angle_alpha 89.69804354
_cell_angle_beta 89.69804354
_cell_angle_gamma 129.63019072
_spa... |
AddAtomAction | 5e6386c2-6706-4832-a2aa-8b6ac5881760 | mp-1016342 | Add one Pd atom at the Cartesian coordinate [4.828 0.363 3.742] to the cif file. | data_image0
_chemical_formula_structural Sr2Mg12Sb2
_chemical_formula_sum "Sr2 Mg12 Sb2"
_cell_length_a 5.19019
_cell_length_b 6.954601
_cell_length_c 11.657676
_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 Sr2Mg12Sb2Pd
_chemical_formula_sum "Sr2 Mg12 Sb2 Pd1"
_cell_length_a 5.19019
_cell_length_b 6.954601
_cell_length_c 11.657676
_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 | 749fde83-42b1-4a30-a7ff-b160a55ba0fa | mp-1213157 | Add one Eu atom at the Cartesian coordinate [-0.506 1.225 2.458] to the cif file. | data_image0
_chemical_formula_structural CsScW2O8
_chemical_formula_sum "Cs1 Sc1 W2 O8"
_cell_length_a 5.9272544
_cell_length_b 5.9272544
_cell_length_c 8.105797
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000445999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural CsScW2O8Eu
_chemical_formula_sum "Cs1 Sc1 W2 O8 Eu1"
_cell_length_a 5.9272544
_cell_length_b 5.9272544
_cell_length_c 8.105797
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000445999999
_space_group_name_H-M_... |
AddAtomAction | 338c4218-4be3-44c9-8157-b6f0e83d9a4e | mp-1349418 | Add one Es atom at the Cartesian coordinate [2.432 5.022 2.737] to the cif file. | data_image0
_chemical_formula_structural Mg4Mo12O28
_chemical_formula_sum "Mg4 Mo12 O28"
_cell_length_a 5.765112
_cell_length_b 9.952709
_cell_length_c 11.030421
_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 Mg4Mo12O28Es
_chemical_formula_sum "Mg4 Mo12 O28 Es1"
_cell_length_a 5.765112
_cell_length_b 9.952709
_cell_length_c 11.030421
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
AddAtomAction | 504c288b-1885-414b-ab8e-588ae2534d14 | mp-19873 | Add one Nb atom at the Cartesian coordinate [0.856 0.461 2.634] to the cif file. | data_image0
_chemical_formula_structural Dy4Si4Ru4
_chemical_formula_sum "Dy4 Si4 Ru4"
_cell_length_a 4.34407646
_cell_length_b 6.98785418
_cell_length_c 7.00979702
_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 Dy4Si4Ru4Nb
_chemical_formula_sum "Dy4 Si4 Ru4 Nb1"
_cell_length_a 4.34407646
_cell_length_b 6.98785418
_cell_length_c 7.00979702
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
AddAtomAction | 381f9e0b-bf49-45e3-ad9c-ace0310ac17d | mp-1352636 | Add one Pd atom at the Cartesian coordinate [5.116 7.806 4.281] to the cif file. | data_image0
_chemical_formula_structural Y4Cr12O36
_chemical_formula_sum "Y4 Cr12 O36"
_cell_length_a 5.574485
_cell_length_b 8.04990414
_cell_length_c 16.05674558
_cell_angle_alpha 90.17412906
_cell_angle_beta 90.07333635
_cell_angle_gamma 90.2540626
_space_group_name_H-... | data_image0
_chemical_formula_structural Y4Cr12O36Pd
_chemical_formula_sum "Y4 Cr12 O36 Pd1"
_cell_length_a 5.574485
_cell_length_b 8.04990414
_cell_length_c 16.05674558
_cell_angle_alpha 90.17412906
_cell_angle_beta 90.07333635
_cell_angle_gamma 90.2540626
_space_group_n... |
AddAtomAction | 73cc9f83-c36c-4f7a-ba0a-4bb561a1d08f | mp-1003545 | Add one Lr atom at the Cartesian coordinate [3.359 1.444 1.127] to the cif file. | data_image0
_chemical_formula_structural MgMn4O8
_chemical_formula_sum "Mg1 Mn4 O8"
_cell_length_a 5.279668
_cell_length_b 5.81958142
_cell_length_c 5.97625424
_cell_angle_alpha 117.59770881999998
_cell_angle_beta 89.56144663
_cell_angle_gamma 108.09900792999998
_space_gr... | data_image0
_chemical_formula_structural MgMn4O8Lr
_chemical_formula_sum "Mg1 Mn4 O8 Lr1"
_cell_length_a 5.279668
_cell_length_b 5.81958142
_cell_length_c 5.97625424
_cell_angle_alpha 117.59770881999998
_cell_angle_beta 89.56144663
_cell_angle_gamma 108.09900792999998
_sp... |
AddAtomAction | 9d9b6bc2-9fbd-4927-9ce5-205126a3d506 | mp-1245618 | Add one Cs atom at the Cartesian coordinate [3.612 0.574 2.796] to the cif file. | data_image0
_chemical_formula_structural Ge4Te2N4
_chemical_formula_sum "Ge4 Te2 N4"
_cell_length_a 6.99902437
_cell_length_b 5.90248045
_cell_length_c 5.3053502
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 114.93971298
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Ge4Te2N4Cs
_chemical_formula_sum "Ge4 Te2 N4 Cs1"
_cell_length_a 6.99902437
_cell_length_b 5.90248045
_cell_length_c 5.3053502
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 114.93971298
_space_group_name_H-M_alt ... |
AddAtomAction | 6d095032-faf9-4b94-8c2a-304d811cf5e9 | mp-28092 | Add one Na atom at the Cartesian coordinate [10.005 4.016 1.941] to the cif file. | data_image0
_chemical_formula_structural B40H52O2
_chemical_formula_sum "B40 H52 O2"
_cell_length_a 13.41078563
_cell_length_b 13.41078563
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.33214107
_space_group_name... | data_image0
_chemical_formula_structural B40H52O2Na
_chemical_formula_sum "B40 H52 O2 Na1"
_cell_length_a 13.41078563
_cell_length_b 13.41078563
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.33214107
_space_grou... |
AddAtomAction | ccda1cc7-accd-44fe-a6e3-45c774d91ba8 | mp-6858 | Add one Sm atom at the Cartesian coordinate [5.43 4.677 5.998] to the cif file. | data_image0
_chemical_formula_structural Rb2C2S2O6F6
_chemical_formula_sum "Rb2 C2 S2 O6 F6"
_cell_length_a 5.86024
_cell_length_b 5.285758
_cell_length_c 10.58239184
_cell_angle_alpha 76.40932463
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Rb2C2S2O6F6Sm
_chemical_formula_sum "Rb2 C2 S2 O6 F6 Sm1"
_cell_length_a 5.86024
_cell_length_b 5.285758
_cell_length_c 10.58239184
_cell_angle_alpha 76.40932463
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
AddAtomAction | 70f090f8-d39e-42a5-8dc9-da9fc1baa4f9 | mp-561525 | Add one Cs atom at the Cartesian coordinate [3.292 4.726 3.117] to the cif file. | data_image0
_chemical_formula_structural K6Ga6B6O21
_chemical_formula_sum "K6 Ga6 B6 O21"
_cell_length_a 8.67961741
_cell_length_b 8.67961741
_cell_length_c 8.865656
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999549000002
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural K6Ga6B6O21Cs
_chemical_formula_sum "K6 Ga6 B6 O21 Cs1"
_cell_length_a 8.67961741
_cell_length_b 8.67961741
_cell_length_c 8.865656
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999549000002
_space_group_name_... |
AddAtomAction | 8645b770-aca6-4522-889f-fc9ac5193bcd | mp-1028157 | Add one Tc atom at the Cartesian coordinate [3.076 0.126 9.167] to the cif file. | data_image0
_chemical_formula_structural Mg14MnCu
_chemical_formula_sum "Mg14 Mn1 Cu1"
_cell_length_a 6.25919308
_cell_length_b 6.25859688
_cell_length_c 9.91951243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99685426
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mg14MnCuTc
_chemical_formula_sum "Mg14 Mn1 Cu1 Tc1"
_cell_length_a 6.25919308
_cell_length_b 6.25859688
_cell_length_c 9.91951243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99685426
_space_group_name_H-M_alt... |
AddAtomAction | 73b09f50-30d2-4a6b-95dd-dfa80585c22c | mp-27209 | Add one Ni atom at the Cartesian coordinate [5.025 4.907 4.056] to the cif file. | data_image0
_chemical_formula_structural K6Tl6F24
_chemical_formula_sum "K6 Tl6 F24"
_cell_length_a 8.07226259
_cell_length_b 8.07224347
_cell_length_c 10.17799314
_cell_angle_alpha 89.99942524000001
_cell_angle_beta 90.00111425
_cell_angle_gamma 119.99882286999998
_space... | data_image0
_chemical_formula_structural K6Tl6F24Ni
_chemical_formula_sum "K6 Tl6 F24 Ni1"
_cell_length_a 8.07226259
_cell_length_b 8.07224347
_cell_length_c 10.17799314
_cell_angle_alpha 89.99942524000001
_cell_angle_beta 90.00111425
_cell_angle_gamma 119.99882286999998
... |
AddAtomAction | ae909821-52f5-4113-a7ed-f89d12a9ccf6 | mp-24674 | Add one Nb atom at the Cartesian coordinate [9.58 3.605 3.433] to the cif file. | data_image0
_chemical_formula_structural Be6P4H8O20
_chemical_formula_sum "Be6 P4 H8 O20"
_cell_length_a 8.40993268
_cell_length_b 8.40993268
_cell_length_c 9.64631995
_cell_angle_alpha 85.36159719
_cell_angle_beta 85.36159719
_cell_angle_gamma 31.91254212000001
_space_gr... | data_image0
_chemical_formula_structural Be6P4H8O20Nb
_chemical_formula_sum "Be6 P4 H8 O20 Nb1"
_cell_length_a 8.40993268
_cell_length_b 8.40993268
_cell_length_c 9.64631995
_cell_angle_alpha 85.36159719
_cell_angle_beta 85.36159719
_cell_angle_gamma 31.91254212000001
_sp... |
AddAtomAction | f09fd417-ba31-4718-b3d9-54fd76e5d02c | mp-1216939 | Add one Db atom at the Cartesian coordinate [7.403 4.977 3.607] to the cif file. | data_image0
_chemical_formula_structural Ti8Te8O24F16
_chemical_formula_sum "Ti8 Te8 O24 F16"
_cell_length_a 7.522666
_cell_length_b 6.628403
_cell_length_c 18.074032869999996
_cell_angle_alpha 68.4806878
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ti8Te8O24F16Db
_chemical_formula_sum "Ti8 Te8 O24 F16 Db1"
_cell_length_a 7.522666
_cell_length_b 6.628403
_cell_length_c 18.074032869999996
_cell_angle_alpha 68.4806878
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
AddAtomAction | 44a0c894-22db-47d1-b385-e5e8d12ecec7 | mp-1196290 | Add one Gd atom at the Cartesian coordinate [3.843 4.903 4.74 ] to the cif file. | data_image0
_chemical_formula_structural Ge4P8O36
_chemical_formula_sum "Ge4 P8 O36"
_cell_length_a 4.876505
_cell_length_b 8.41757901
_cell_length_c 15.602034999999999
_cell_angle_alpha 99.61125826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ge4P8O36Gd
_chemical_formula_sum "Ge4 P8 O36 Gd1"
_cell_length_a 4.876505
_cell_length_b 8.41757901
_cell_length_c 15.602034999999999
_cell_angle_alpha 99.61125826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
AddAtomAction | da5b796b-75f5-4e4b-96b0-06fdc3f40198 | mp-1233619 | Add one Sm atom at the Cartesian coordinate [-0.696 1.178 6.678] to the cif file. | data_image0
_chemical_formula_structural Sr2MgZn2Sn2P4O16
_chemical_formula_sum "Sr2 Mg1 Zn2 Sn2 P4 O16"
_cell_length_a 5.56800446
_cell_length_b 7.7546931
_cell_length_c 10.101868360000001
_cell_angle_alpha 112.66910609
_cell_angle_beta 96.09810579
_cell_angle_gamma 91.71... | data_image0
_chemical_formula_structural Sr2MgZn2Sn2P4O16Sm
_chemical_formula_sum "Sr2 Mg1 Zn2 Sn2 P4 O16 Sm1"
_cell_length_a 5.56800446
_cell_length_b 7.7546931
_cell_length_c 10.101868360000001
_cell_angle_alpha 112.66910609
_cell_angle_beta 96.09810579
_cell_angle_gamma ... |
AddAtomAction | 2c3d3d18-8b72-4a95-8016-6ee85b277806 | mp-1210057 | Add one At atom at the Cartesian coordinate [7.869 3.512 5.675] to the cif file. | data_image0
_chemical_formula_structural P6Pb10Br2O24
_chemical_formula_sum "P6 Pb10 Br2 O24"
_cell_length_a 10.24810365
_cell_length_b 10.248103649999997
_cell_length_c 7.361383
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999774
_space_group_name... | data_image0
_chemical_formula_structural P6Pb10Br2O24At
_chemical_formula_sum "P6 Pb10 Br2 O24 At1"
_cell_length_a 10.24810365
_cell_length_b 10.248103649999997
_cell_length_c 7.361383
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999774
_space_grou... |
AddAtomAction | 6af3ea51-92e8-4fcc-94b8-8b9a1537f137 | mp-1214717 | Add one B atom at the Cartesian coordinate [4.56 3.11 4.861] to the cif file. | data_image0
_chemical_formula_structural Ba6Sr4Re6Cl2O30
_chemical_formula_sum "Ba6 Sr4 Re6 Cl2 O30"
_cell_length_a 10.90359366
_cell_length_b 10.90359366
_cell_length_c 7.820346
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999792
_space_group_name... | data_image0
_chemical_formula_structural Ba6Sr4Re6Cl2O30B
_chemical_formula_sum "Ba6 Sr4 Re6 Cl2 O30 B1"
_cell_length_a 10.90359366
_cell_length_b 10.90359366
_cell_length_c 7.820346
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999792
_space_group_... |
AddAtomAction | e23e4e06-f074-4d74-a4c3-38ea416d75f7 | mp-18411 | Add one Os atom at the Cartesian coordinate [5.134 3.137 4.343] to the cif file. | data_image0
_chemical_formula_structural Na12Ge4Se12
_chemical_formula_sum "Na12 Ge4 Se12"
_cell_length_a 11.90035661
_cell_length_b 8.2376087
_cell_length_c 8.37020124
_cell_angle_alpha 60.720833670000005
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Na12Ge4Se12Os
_chemical_formula_sum "Na12 Ge4 Se12 Os1"
_cell_length_a 11.90035661
_cell_length_b 8.2376087
_cell_length_c 8.37020124
_cell_angle_alpha 60.720833670000005
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
AddAtomAction | a553e784-a8db-41b4-a43c-c668d5a9c439 | mp-684504 | Add one Fr atom at the Cartesian coordinate [ 2.947 11.794 12.716] to the cif file. | data_image0
_chemical_formula_structural Li12Bi8P12O48
_chemical_formula_sum "Li12 Bi8 P12 O48"
_cell_length_a 9.233426
_cell_length_b 9.224183
_cell_length_c 16.03576682
_cell_angle_alpha 56.32682854
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li12Bi8P12O48Fr
_chemical_formula_sum "Li12 Bi8 P12 O48 Fr1"
_cell_length_a 9.233426
_cell_length_b 9.224183
_cell_length_c 16.03576682
_cell_angle_alpha 56.32682854
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
AddAtomAction | 8188e5fa-1b2c-49f5-becf-b7a35725b513 | mp-989647 | Add one Ti atom at the Cartesian coordinate [2.757 1.48 1.578] 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 Y4Re4N12Ti
_chemical_formula_sum "Y4 Re4 N12 Ti1"
_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"
_... |
AddAtomAction | df583047-1160-4515-82c6-72ddbe96fb62 | mp-1219159 | Add one Rn atom at the Cartesian coordinate [2.249 5.016 1.036] to the cif file. | data_image0
_chemical_formula_structural Sm6Ge3S14
_chemical_formula_sum "Sm6 Ge3 S14"
_cell_length_a 10.12390165
_cell_length_b 10.123891029999998
_cell_length_c 5.7705172099999995
_cell_angle_alpha 90.00000796
_cell_angle_beta 90.00005113
_cell_angle_gamma 119.9998358499... | data_image0
_chemical_formula_structural Sm6Ge3S14Rn
_chemical_formula_sum "Sm6 Ge3 S14 Rn1"
_cell_length_a 10.12390165
_cell_length_b 10.123891029999998
_cell_length_c 5.7705172099999995
_cell_angle_alpha 90.00000796
_cell_angle_beta 90.00005113
_cell_angle_gamma 119.9998... |
AddAtomAction | 3f7152e9-e104-4994-8fe0-1be3d628aafa | mp-542176 | Add one Cs atom at the Cartesian coordinate [13.604 6.873 11.686] to the cif file. | data_image0
_chemical_formula_structural Cu4H32C16O20
_chemical_formula_sum "Cu4 H32 C16 O20"
_cell_length_a 7.97846796
_cell_length_b 7.97846796
_cell_length_c 13.94462419
_cell_angle_alpha 68.02758242999998
_cell_angle_beta 68.02758242999998
_cell_angle_gamma 66.35535008... | data_image0
_chemical_formula_structural Cu4H32C16O20Cs
_chemical_formula_sum "Cu4 H32 C16 O20 Cs1"
_cell_length_a 7.97846796
_cell_length_b 7.97846796
_cell_length_c 13.94462419
_cell_angle_alpha 68.02758242999998
_cell_angle_beta 68.02758242999998
_cell_angle_gamma 66.35... |
AddAtomAction | 9acff526-ec34-42b2-b508-8fc563070255 | mp-759549 | Add one Eu atom at the Cartesian coordinate [2.072 4.434 5.412] to the cif file. | data_image0
_chemical_formula_structural Mn2P8O24
_chemical_formula_sum "Mn2 P8 O24"
_cell_length_a 8.773979
_cell_length_b 7.132297
_cell_length_c 8.45164641
_cell_angle_alpha 57.34594921
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Mn2P8O24Eu
_chemical_formula_sum "Mn2 P8 O24 Eu1"
_cell_length_a 8.773979
_cell_length_b 7.132297
_cell_length_c 8.45164641
_cell_angle_alpha 57.34594921
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
AddAtomAction | ee6c877b-994b-48ff-9318-06902d2b21dd | mp-7596 | Add one Bk atom at the Cartesian coordinate [3.857 0.939 4.678] to the cif file. | data_image0
_chemical_formula_structural Nb4N4O4
_chemical_formula_sum "Nb4 N4 O4"
_cell_length_a 5.02537217
_cell_length_b 5.08412688
_cell_length_c 5.24459321
_cell_angle_alpha 90.0
_cell_angle_beta 99.61597434
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Nb4N4O4Bk
_chemical_formula_sum "Nb4 N4 O4 Bk1"
_cell_length_a 5.02537217
_cell_length_b 5.08412688
_cell_length_c 5.24459321
_cell_angle_alpha 90.0
_cell_angle_beta 99.61597434
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
AddAtomAction | ee58be97-dd44-42e7-8502-c53ae06e4344 | mp-1221993 | Add one Ni atom at the Cartesian coordinate [ 2.18 -0.176 2.028] to the cif file. | data_image0
_chemical_formula_structural Mg2Zr2Si4O14
_chemical_formula_sum "Mg2 Zr2 Si4 O14"
_cell_length_a 6.62699437
_cell_length_b 6.62699437
_cell_length_c 6.62699437
_cell_angle_alpha 120.81728044000002
_cell_angle_beta 118.77618471
_cell_angle_gamma 90.3614645500000... | data_image0
_chemical_formula_structural Mg2Zr2Si4O14Ni
_chemical_formula_sum "Mg2 Zr2 Si4 O14 Ni1"
_cell_length_a 6.62699437
_cell_length_b 6.62699437
_cell_length_c 6.62699437
_cell_angle_alpha 120.81728044000002
_cell_angle_beta 118.77618471
_cell_angle_gamma 90.3614645... |
AddAtomAction | cd4fb368-7e02-41a8-b2b5-c3fd12184860 | mp-26845 | Add one Mc atom at the Cartesian coordinate [11.11 2.653 2.44 ] to the cif file. | data_image0
_chemical_formula_structural Li6Mn4P6O24
_chemical_formula_sum "Li6 Mn4 P6 O24"
_cell_length_a 8.81995309
_cell_length_b 8.81995309
_cell_length_c 11.515695880000003
_cell_angle_alpha 45.84620983999999
_cell_angle_beta 45.84620983999999
_cell_angle_gamma 60.270... | data_image0
_chemical_formula_structural Li6Mn4P6O24Mc
_chemical_formula_sum "Li6 Mn4 P6 O24 Mc1"
_cell_length_a 8.81995309
_cell_length_b 8.81995309
_cell_length_c 11.515695880000003
_cell_angle_alpha 45.84620983999999
_cell_angle_beta 45.84620983999999
_cell_angle_gamma ... |
AddAtomAction | bb279b8b-2925-47ad-8ac6-89f5e3aa820c | mp-1208346 | Add one Lr atom at the Cartesian coordinate [1.574 4.773 2.153] to the cif file. | data_image0
_chemical_formula_structural Tb4Fe4B16
_chemical_formula_sum "Tb4 Fe4 B16"
_cell_length_a 3.42877021
_cell_length_b 5.90351878
_cell_length_c 11.43350165
_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 Tb4Fe4B16Lr
_chemical_formula_sum "Tb4 Fe4 B16 Lr1"
_cell_length_a 3.42877021
_cell_length_b 5.90351878
_cell_length_c 11.43350165
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
AddAtomAction | 16e0fea5-7dd1-4600-b65e-e7a32c48aae1 | mp-800259 | Add one No atom at the Cartesian coordinate [1.09 1.99 4.445] to the cif file. | data_image0
_chemical_formula_structural Li5Cr3FeO8
_chemical_formula_sum "Li5 Cr3 Fe1 O8"
_cell_length_a 5.994255
_cell_length_b 5.9972526
_cell_length_c 6.05051969
_cell_angle_alpha 119.50204335000001
_cell_angle_beta 90.27845360999999
_cell_angle_gamma 119.8688950300000... | data_image0
_chemical_formula_structural Li5Cr3FeO8No
_chemical_formula_sum "Li5 Cr3 Fe1 O8 No1"
_cell_length_a 5.994255
_cell_length_b 5.9972526
_cell_length_c 6.05051969
_cell_angle_alpha 119.50204335000001
_cell_angle_beta 90.27845360999999
_cell_angle_gamma 119.8688950... |
AddAtomAction | 78d61b2c-5b51-459f-a544-be73dbd383a9 | mp-1211033 | Add one Fm atom at the Cartesian coordinate [0.249 1.362 4.476] to the cif file. | data_image0
_chemical_formula_structural Lu12In2Fe3
_chemical_formula_sum "Lu12 In2 Fe3"
_cell_length_a 8.15749244
_cell_length_b 8.15748797
_cell_length_c 8.15752811
_cell_angle_alpha 108.89905187
_cell_angle_beta 108.89905825
_cell_angle_gamma 110.62113047000001
_space_... | data_image0
_chemical_formula_structural Lu12In2Fe3Fm
_chemical_formula_sum "Lu12 In2 Fe3 Fm1"
_cell_length_a 8.15749244
_cell_length_b 8.15748797
_cell_length_c 8.15752811
_cell_angle_alpha 108.89905187
_cell_angle_beta 108.89905825
_cell_angle_gamma 110.62113047000001
_... |
AddAtomAction | 34268b14-afde-4a1a-8749-2ad60c18fbb1 | mp-704406 | Add one Fl atom at the Cartesian coordinate [ 5.845 10.033 1.038] to the cif file. | data_image0
_chemical_formula_structural U9Mo18O72
_chemical_formula_sum "U9 Mo18 O72"
_cell_length_a 17.73976239
_cell_length_b 17.73976239
_cell_length_c 6.219
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000145999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural U9Mo18O72Fl
_chemical_formula_sum "U9 Mo18 O72 Fl1"
_cell_length_a 17.73976239
_cell_length_b 17.73976239
_cell_length_c 6.219
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000145999998
_space_group_name_H-M_... |
AddAtomAction | 82f75017-9fa7-41f7-9abc-3a6120ef1ae9 | mp-1045114 | Add one Os atom at the Cartesian coordinate [3.59 3.888 3.129] 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 Al2V6Se4Cl2O16Os
_chemical_formula_sum "Al2 V6 Se4 Cl2 O16 Os1"
_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
_s... |
AddAtomAction | a64f0fef-71fc-4c47-b4c8-fba78ce22a0e | mp-1111627 | Add one N atom at the Cartesian coordinate [7.972 4.513 0.951] to the cif file. | data_image0
_chemical_formula_structural K2NaPdF6
_chemical_formula_sum "K2 Na1 Pd1 F6"
_cell_length_a 6.08531146
_cell_length_b 6.08531146
_cell_length_c 6.08531146
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural K2NaPdF6N
_chemical_formula_sum "K2 Na1 Pd1 F6 N1"
_cell_length_a 6.08531146
_cell_length_b 6.08531146
_cell_length_c 6.08531146
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999999... |
AddAtomAction | 3bb4c6fd-8f84-449e-b7c8-0b2902a9b3dc | mp-1195295 | Add one P atom at the Cartesian coordinate [2.63 2.943 9.476] to the cif file. | data_image0
_chemical_formula_structural Ca4Fe20O28
_chemical_formula_sum "Ca4 Fe20 O28"
_cell_length_a 5.39499771
_cell_length_b 6.16721836
_cell_length_c 18.023941
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 106.70444981
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ca4Fe20O28P
_chemical_formula_sum "Ca4 Fe20 O28 P1"
_cell_length_a 5.39499771
_cell_length_b 6.16721836
_cell_length_c 18.023941
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 106.70444981
_space_group_name_H-M_alt ... |
AddAtomAction | 9853e4c8-aab5-4795-af21-fb38ac4268cc | mp-1196284 | Add one Ni atom at the Cartesian coordinate [ 2.738 2.682 11.767] to the cif file. | data_image0
_chemical_formula_structural U6Al38Ni10
_chemical_formula_sum "U6 Al38 Ni10"
_cell_length_a 8.18645193
_cell_length_b 8.18645193
_cell_length_c 26.861989
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 151.21855284
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural U6Al38Ni11
_chemical_formula_sum "U6 Al38 Ni11"
_cell_length_a 8.18645193
_cell_length_b 8.18645193
_cell_length_c 26.861989
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 151.21855284
_space_group_name_H-M_alt "... |
AddAtomAction | 6ba7926d-0276-4bd3-bc4e-36b199f05b46 | mp-28263 | Add one Sn atom at the Cartesian coordinate [4.388 2.894 7.196] to the cif file. | data_image0
_chemical_formula_structural K4H12O8
_chemical_formula_sum "K4 H12 O8"
_cell_length_a 5.69184007
_cell_length_b 5.7809945
_cell_length_c 7.87531014
_cell_angle_alpha 70.21423391
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural K4H12O8Sn
_chemical_formula_sum "K4 H12 O8 Sn1"
_cell_length_a 5.69184007
_cell_length_b 5.7809945
_cell_length_c 7.87531014
_cell_angle_alpha 70.21423391
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
AddAtomAction | dc34785b-018b-4ec3-976c-2f2d8473ca57 | mp-1224446 | Add one Sg atom at the Cartesian coordinate [0.97 3.28 0.827] to the cif file. | data_image0
_chemical_formula_structural Hf3TaFe8
_chemical_formula_sum "Hf3 Ta1 Fe8"
_cell_length_a 4.94351674
_cell_length_b 4.94351723
_cell_length_c 8.06256995
_cell_angle_alpha 89.99999899
_cell_angle_beta 89.99998777
_cell_angle_gamma 119.99922461000001
_space_group... | data_image0
_chemical_formula_structural Hf3TaFe8Sg
_chemical_formula_sum "Hf3 Ta1 Fe8 Sg1"
_cell_length_a 4.94351674
_cell_length_b 4.94351723
_cell_length_c 8.06256995
_cell_angle_alpha 89.99999899
_cell_angle_beta 89.99998777
_cell_angle_gamma 119.99922461000001
_space... |
AddAtomAction | dcbd46ad-7a23-48e8-a5cc-853907a7f5d7 | mp-766284 | Add one Ra atom at the Cartesian coordinate [5.02 2.671 1.588] to the cif file. | data_image0
_chemical_formula_structural Sr16Ru12O48
_chemical_formula_sum "Sr16 Ru12 O48"
_cell_length_a 5.576479
_cell_length_b 9.793504
_cell_length_c 18.332635
_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 Sr16Ru12O48Ra
_chemical_formula_sum "Sr16 Ru12 O48 Ra1"
_cell_length_a 5.576479
_cell_length_b 9.793504
_cell_length_c 18.332635
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
AddAtomAction | 404d3ee0-5227-412f-a7b8-d8fd7e034663 | mp-1205906 | Add one Fe atom at the Cartesian coordinate [ 2.847 2.584 11.957] to the cif file. | data_image0
_chemical_formula_structural K2Mn2I2O12
_chemical_formula_sum "K2 Mn2 I2 O12"
_cell_length_a 5.12804591
_cell_length_b 5.12804591
_cell_length_c 12.256575
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999880000001
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural K2Mn2I2O12Fe
_chemical_formula_sum "K2 Mn2 I2 O12 Fe1"
_cell_length_a 5.12804591
_cell_length_b 5.12804591
_cell_length_c 12.256575
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999880000001
_space_group_name... |
AddAtomAction | 6834f24b-bce3-439d-aa71-ee363dc211e3 | mp-1043615 | Add one O atom at the Cartesian coordinate [2.387 8.831 4.137] to the cif file. | data_image0
_chemical_formula_structural Mn6Zn2P8O28
_chemical_formula_sum "Mn6 Zn2 P8 O28"
_cell_length_a 7.541915
_cell_length_b 7.529579
_cell_length_c 9.902182270000003
_cell_angle_alpha 66.5660246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mn6Zn2P8O29
_chemical_formula_sum "Mn6 Zn2 P8 O29"
_cell_length_a 7.541915
_cell_length_b 7.529579
_cell_length_c 9.902182270000003
_cell_angle_alpha 66.5660246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
AddAtomAction | 89b54a7b-83cb-47b0-8b3b-2b6261f423ac | mp-1233729 | Add one Xe atom at the Cartesian coordinate [-2.203 4.828 5.009] to the cif file. | data_image0
_chemical_formula_structural MgZn4Co6O16
_chemical_formula_sum "Mg1 Zn4 Co6 O16"
_cell_length_a 5.77630383
_cell_length_b 5.89151648
_cell_length_c 9.98240859
_cell_angle_alpha 87.77596076
_cell_angle_beta 91.08734965
_cell_angle_gamma 119.54466654
_space_grou... | data_image0
_chemical_formula_structural MgZn4Co6O16Xe
_chemical_formula_sum "Mg1 Zn4 Co6 O16 Xe1"
_cell_length_a 5.77630383
_cell_length_b 5.89151648
_cell_length_c 9.98240859
_cell_angle_alpha 87.77596076
_cell_angle_beta 91.08734965
_cell_angle_gamma 119.54466654
_spac... |
AddAtomAction | 46e0aa52-6789-42a6-ba97-6360fc5db376 | mp-26956 | Add one Pr atom at the Cartesian coordinate [ 2.497 6.897 12.546] to the cif file. | data_image0
_chemical_formula_structural V4P16O48
_chemical_formula_sum "V4 P16 O48"
_cell_length_a 8.410582
_cell_length_b 9.194688
_cell_length_c 12.866543
_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 V4P16O48Pr
_chemical_formula_sum "V4 P16 O48 Pr1"
_cell_length_a 8.410582
_cell_length_b 9.194688
_cell_length_c 12.866543
_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 | 95110010-68f8-4c94-82b0-5f5a2601f604 | mp-627591 | Add one Cd atom at the Cartesian coordinate [0.248 6.184 5.054] to the cif file. | data_image0
_chemical_formula_structural Fe8Si4S16
_chemical_formula_sum "Fe8 Si4 S16"
_cell_length_a 5.808157
_cell_length_b 7.026927
_cell_length_c 12.166527
_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 Fe8Si4S16Cd
_chemical_formula_sum "Fe8 Si4 S16 Cd1"
_cell_length_a 5.808157
_cell_length_b 7.026927
_cell_length_c 12.166527
_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 | 4b9dfb84-8821-4aef-bb31-0fada6a86d8b | mp-1190970 | Add one Rh atom at the Cartesian coordinate [-2.518 2.365 1.127] to the cif file. | data_image0
_chemical_formula_structural Dy6Re2B14
_chemical_formula_sum "Dy6 Re2 B14"
_cell_length_a 8.09792605
_cell_length_b 8.09792605
_cell_length_c 9.363645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 154.74998492
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Dy6Re2B14Rh
_chemical_formula_sum "Dy6 Re2 B14 Rh1"
_cell_length_a 8.09792605
_cell_length_b 8.09792605
_cell_length_c 9.363645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 154.74998492
_space_group_name_H-M_alt ... |
AddAtomAction | 3ea61763-beb3-4624-ac86-579cb80e2cd6 | mp-2196 | Add one W atom at the Cartesian coordinate [4.181 9.546 4.313] to the cif file. | data_image0
_chemical_formula_structural Ba6Sb12
_chemical_formula_sum "Ba6 Sb12"
_cell_length_a 4.4286625
_cell_length_b 11.92156711
_cell_length_c 12.693525489999999
_cell_angle_alpha 101.41346017
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba6Sb12W
_chemical_formula_sum "Ba6 Sb12 W1"
_cell_length_a 4.4286625
_cell_length_b 11.92156711
_cell_length_c 12.693525489999999
_cell_angle_alpha 101.41346017
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
AddAtomAction | 99f41043-02bc-4c8d-b87a-e975096e001a | mp-1247503 | Add one Zr atom at the Cartesian coordinate [ 0.975 1.496 11.123] to the cif file. | data_image0
_chemical_formula_structural Mn4Cu2N4
_chemical_formula_sum "Mn4 Cu2 N4"
_cell_length_a 2.852414
_cell_length_b 2.850546
_cell_length_c 12.150266
_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 Mn4Cu2N4Zr
_chemical_formula_sum "Mn4 Cu2 N4 Zr1"
_cell_length_a 2.852414
_cell_length_b 2.850546
_cell_length_c 12.150266
_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 | 9384278c-9091-4818-b291-6591969d8105 | mp-759335 | Add one Lv atom at the Cartesian coordinate [8.37 4.68 5.113] to the cif file. | data_image0
_chemical_formula_structural Li10V6P16O58
_chemical_formula_sum "Li10 V6 P16 O58"
_cell_length_a 9.790742
_cell_length_b 9.80038608
_cell_length_c 14.10371707
_cell_angle_alpha 89.55844878
_cell_angle_beta 89.37286967
_cell_angle_gamma 60.21795085
_space_group... | data_image0
_chemical_formula_structural Li10V6P16O58Lv
_chemical_formula_sum "Li10 V6 P16 O58 Lv1"
_cell_length_a 9.790742
_cell_length_b 9.80038608
_cell_length_c 14.10371707
_cell_angle_alpha 89.55844878
_cell_angle_beta 89.37286967
_cell_angle_gamma 60.21795085
_space... |
AddAtomAction | 6fef69f4-1e28-4544-a0d5-5f4f184dddf6 | mp-1207697 | Add one Pb atom at the Cartesian coordinate [ 5.836 4.375 11.681] to the cif file. | data_image0
_chemical_formula_structural Zr3CuF6
_chemical_formula_sum "Zr3 Cu1 F6"
_cell_length_a 5.91990173
_cell_length_b 5.46689964
_cell_length_c 14.99135978
_cell_angle_alpha 107.07052544
_cell_angle_beta 54.69426013
_cell_angle_gamma 122.7301337
_space_group_name_H... | data_image0
_chemical_formula_structural Zr3CuF6Pb
_chemical_formula_sum "Zr3 Cu1 F6 Pb1"
_cell_length_a 5.91990173
_cell_length_b 5.46689964
_cell_length_c 14.99135978
_cell_angle_alpha 107.07052544
_cell_angle_beta 54.69426013
_cell_angle_gamma 122.7301337
_space_group_... |
AddAtomAction | 9b9158db-50c5-444c-9553-3ac86d22a996 | mp-754739 | Add one Sc atom at the Cartesian coordinate [0.694 3.402 5.748] to the cif file. | data_image0
_chemical_formula_structural Ca2Be6O8
_chemical_formula_sum "Ca2 Be6 O8"
_cell_length_a 4.57656117
_cell_length_b 4.57656117
_cell_length_c 8.786886
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998806
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ca2Be6O8Sc
_chemical_formula_sum "Ca2 Be6 O8 Sc1"
_cell_length_a 4.57656117
_cell_length_b 4.57656117
_cell_length_c 8.786886
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998806
_space_group_name_H-M_alt ... |
AddAtomAction | 533e73d7-a0af-4a2e-ae1d-1dc9f55c1de6 | mp-13413 | Add one Li atom at the Cartesian coordinate [3.975 1.886 3.235] to the cif file. | data_image0
_chemical_formula_structural Th4Cu20Sn4
_chemical_formula_sum "Th4 Cu20 Sn4"
_cell_length_a 5.05406776
_cell_length_b 8.30553472
_cell_length_c 10.56519443
_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 Th4Cu20Sn4Li
_chemical_formula_sum "Th4 Cu20 Sn4 Li1"
_cell_length_a 5.05406776
_cell_length_b 8.30553472
_cell_length_c 10.56519443
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
AddAtomAction | 11b5bcfd-78ea-422d-8217-3898315980ba | mp-1099629 | Add one Pr atom at the Cartesian coordinate [1.298 3.75 4.809] to the cif file. | data_image0
_chemical_formula_structural K2Na6V5Mo3O24
_chemical_formula_sum "K2 Na6 V5 Mo3 O24"
_cell_length_a 7.746854
_cell_length_b 7.74646
_cell_length_c 7.749562620000001
_cell_angle_alpha 89.96294417
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural K2Na6V5Mo3O24Pr
_chemical_formula_sum "K2 Na6 V5 Mo3 O24 Pr1"
_cell_length_a 7.746854
_cell_length_b 7.74646
_cell_length_c 7.749562620000001
_cell_angle_alpha 89.96294417
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
AddAtomAction | 108b366e-c93a-4aa6-9e00-f97a7b65bc9e | mp-1214497 | Add one Tb atom at the Cartesian coordinate [5.125 2.24 2.897] to the cif file. | data_image0
_chemical_formula_structural Ba10P6O24F2
_chemical_formula_sum "Ba10 P6 O24 F2"
_cell_length_a 10.36526542
_cell_length_b 10.36526542
_cell_length_c 7.792644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999628
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba10P6O24F2Tb
_chemical_formula_sum "Ba10 P6 O24 F2 Tb1"
_cell_length_a 10.36526542
_cell_length_b 10.36526542
_cell_length_c 7.792644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999628
_space_group_name_H-... |
AddAtomAction | b4334a34-504f-4fe0-b9cf-36cc3e3c9147 | mp-560602 | Add one Rh atom at the Cartesian coordinate [3.531 1.818 3.892] to the cif file. | data_image0
_chemical_formula_structural O24
_chemical_formula_sum "O24"
_cell_length_a 6.65259782
_cell_length_b 6.76810209
_cell_length_c 7.45043691
_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_nu... | data_image0
_chemical_formula_structural O24Rh
_chemical_formula_sum "O24 Rh1"
_cell_length_a 6.65259782
_cell_length_b 6.76810209
_cell_length_c 7.45043691
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... |
AddAtomAction | 0a2884e0-974a-426b-9f52-5d8b6b0cd026 | mp-1103985 | Add one Lu atom at the Cartesian coordinate [7.636 7.857 6.22 ] to the cif file. | data_image0
_chemical_formula_structural Nd9Pt6
_chemical_formula_sum "Nd9 Pt6"
_cell_length_a 7.70172695
_cell_length_b 7.701915030000001
_cell_length_c 7.701846680000001
_cell_angle_alpha 71.39027492
_cell_angle_beta 71.38926960999999
_cell_angle_gamma 71.38940419999999
... | data_image0
_chemical_formula_structural Nd9Pt6Lu
_chemical_formula_sum "Nd9 Pt6 Lu1"
_cell_length_a 7.70172695
_cell_length_b 7.701915030000001
_cell_length_c 7.701846680000001
_cell_angle_alpha 71.39027492
_cell_angle_beta 71.38926960999999
_cell_angle_gamma 71.389404199... |
AddAtomAction | 6a861f68-23d2-41bb-b29f-9f2fccb32f5a | mp-1215754 | Add one Zn atom at the Cartesian coordinate [ 0.346 -0.915 4.826] to the cif file. | data_image0
_chemical_formula_structural Zr4Ti6Si6
_chemical_formula_sum "Zr4 Ti6 Si6"
_cell_length_a 5.466895
_cell_length_b 7.71310896
_cell_length_c 7.715738230000001
_cell_angle_alpha 119.98872028999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Zr4Ti6Si6Zn
_chemical_formula_sum "Zr4 Ti6 Si6 Zn1"
_cell_length_a 5.466895
_cell_length_b 7.71310896
_cell_length_c 7.715738230000001
_cell_angle_alpha 119.98872028999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
AddAtomAction | 1a4c69c7-ce2c-49af-bec6-638c0c926401 | mp-1096432 | Add one Zr atom at the Cartesian coordinate [-0.804 0.382 9.152] to the cif file. | data_image0
_chemical_formula_structural Ce24Se48
_chemical_formula_sum "Ce24 Se48"
_cell_length_a 16.69883571
_cell_length_b 16.69883571
_cell_length_c 16.69883571
_cell_angle_alpha 109.47122039
_cell_angle_beta 109.47122076
_cell_angle_gamma 109.47122076
_space_group_na... | data_image0
_chemical_formula_structural Ce24Se48Zr
_chemical_formula_sum "Ce24 Se48 Zr1"
_cell_length_a 16.69883571
_cell_length_b 16.69883571
_cell_length_c 16.69883571
_cell_angle_alpha 109.47122039
_cell_angle_beta 109.47122076
_cell_angle_gamma 109.47122076
_space_gr... |
AddAtomAction | 03a8d010-08f1-404c-a3ce-65a435361b77 | mp-1098369 | Add one Ho atom at the Cartesian coordinate [5.224 0.638 6.773] to the cif file. | data_image0
_chemical_formula_structural Mg30TiCrO32
_chemical_formula_sum "Mg30 Ti1 Cr1 O32"
_cell_length_a 8.596304
_cell_length_b 8.514833
_cell_length_c 8.514833
_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 Mg30TiCrO32Ho
_chemical_formula_sum "Mg30 Ti1 Cr1 O32 Ho1"
_cell_length_a 8.596304
_cell_length_b 8.514833
_cell_length_c 8.514833
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
AddAtomAction | eba04a80-8d1d-4eb3-97aa-ead6e93cfd0e | mp-2229629 | Add one I atom at the Cartesian coordinate [2.448 4.862 3.529] to the cif file. | data_image0
_chemical_formula_structural Na2MgNb2Cu4S8
_chemical_formula_sum "Na2 Mg1 Nb2 Cu4 S8"
_cell_length_a 5.68901859
_cell_length_b 7.71768654
_cell_length_c 9.74954143
_cell_angle_alpha 90.59259283
_cell_angle_beta 106.96324873
_cell_angle_gamma 90.00000094
_space... | data_image0
_chemical_formula_structural Na2MgNb2Cu4S8I
_chemical_formula_sum "Na2 Mg1 Nb2 Cu4 S8 I1"
_cell_length_a 5.68901859
_cell_length_b 7.71768654
_cell_length_c 9.74954143
_cell_angle_alpha 90.59259283
_cell_angle_beta 106.96324873
_cell_angle_gamma 90.00000094
_s... |
AddAtomAction | 3d334f24-8884-4d57-8a18-886b2f973367 | mp-652326 | Add one Pb atom at the Cartesian coordinate [-1.479 3.371 6.47 ] to the cif file. | data_image0
_chemical_formula_structural Fe6C18S4O18
_chemical_formula_sum "Fe6 C18 S4 O18"
_cell_length_a 6.886245
_cell_length_b 9.21092479
_cell_length_c 13.18122565
_cell_angle_alpha 93.98866673999999
_cell_angle_beta 94.12941676
_cell_angle_gamma 111.17747912
_space_... | data_image0
_chemical_formula_structural Fe6C18S4O18Pb
_chemical_formula_sum "Fe6 C18 S4 O18 Pb1"
_cell_length_a 6.886245
_cell_length_b 9.21092479
_cell_length_c 13.18122565
_cell_angle_alpha 93.98866673999999
_cell_angle_beta 94.12941676
_cell_angle_gamma 111.17747912
_... |
AddAtomAction | fc441bbe-ecee-4b3c-98e6-841b87203281 | mp-1520090 | Add one Yb atom at the Cartesian coordinate [4.161 2.303 2.883] to the cif file. | data_image0
_chemical_formula_structural LiLaFe4O12
_chemical_formula_sum "Li1 La1 Fe4 O12"
_cell_length_a 5.25865836
_cell_length_b 5.25865836
_cell_length_c 7.74007929
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 91.18608768000001
_space_group_name_H-M... | data_image0
_chemical_formula_structural LiLaFe4O12Yb
_chemical_formula_sum "Li1 La1 Fe4 O12 Yb1"
_cell_length_a 5.25865836
_cell_length_b 5.25865836
_cell_length_c 7.74007929
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 91.18608768000001
_space_group_na... |
AddAtomAction | 70381804-f537-4bc2-b9e8-e42decb9374b | mp-760196 | Add one Gd atom at the Cartesian coordinate [0.69 3.973 7.173] to the cif file. | data_image0
_chemical_formula_structural Cr8O8F32
_chemical_formula_sum "Cr8 O8 F32"
_cell_length_a 16.88848
_cell_length_b 5.548289
_cell_length_c 8.06305272
_cell_angle_alpha 89.13883818
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Cr8O8F32Gd
_chemical_formula_sum "Cr8 O8 F32 Gd1"
_cell_length_a 16.88848
_cell_length_b 5.548289
_cell_length_c 8.06305272
_cell_angle_alpha 89.13883818
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
AddAtomAction | c968abe1-a16b-4ca6-b5a8-62dfc3b4a10f | mp-768946 | Add one Se atom at the Cartesian coordinate [3.443 9.111 5.188] to the cif file. | data_image0
_chemical_formula_structural Li8Cr6Co2O16
_chemical_formula_sum "Li8 Cr6 Co2 O16"
_cell_length_a 5.08422505
_cell_length_b 10.24775626
_cell_length_c 5.87238314
_cell_angle_alpha 73.37294484
_cell_angle_beta 90.01373118
_cell_angle_gamma 80.49168511
_space_gro... | data_image0
_chemical_formula_structural Li8Cr6Co2O16Se
_chemical_formula_sum "Li8 Cr6 Co2 O16 Se1"
_cell_length_a 5.08422505
_cell_length_b 10.24775626
_cell_length_c 5.87238314
_cell_angle_alpha 73.37294484
_cell_angle_beta 90.01373118
_cell_angle_gamma 80.49168511
_spa... |
AddAtomAction | aaeb186d-a055-4c8f-a0ef-c16e63de94a8 | mp-558325 | Add one Gd atom at the Cartesian coordinate [2.71 6.748 2.467] to the cif file. | data_image0
_chemical_formula_structural K2YNb5O15
_chemical_formula_sum "K2 Y1 Nb5 O15"
_cell_length_a 9.35185659
_cell_length_b 9.351856590000002
_cell_length_c 3.975101
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 111.88706881
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural K2YNb5O15Gd
_chemical_formula_sum "K2 Y1 Nb5 O15 Gd1"
_cell_length_a 9.35185659
_cell_length_b 9.351856590000002
_cell_length_c 3.975101
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 111.88706881
_space_group_name_... |
AddAtomAction | 809da4fa-6d39-49b2-89b1-313070c2aed0 | mp-1029063 | Add one Lr atom at the Cartesian coordinate [1.871 2.333 5.382] 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 Te2Mo2W2Se2S4Lr
_chemical_formula_sum "Te2 Mo2 W2 Se2 S4 Lr1"
_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 | 75cf838f-0b22-441c-ab39-8136b26aff52 | mp-22850 | Add one Te atom at the Cartesian coordinate [1.917 3.756 4.631] to the cif file. | data_image0
_chemical_formula_structural Ru4Cl12
_chemical_formula_sum "Ru4 Cl12"
_cell_length_a 5.67615011
_cell_length_b 6.23663128
_cell_length_c 10.767188719999998
_cell_angle_alpha 89.99988935
_cell_angle_beta 89.99997873999999
_cell_angle_gamma 90.16930695
_space_gr... | data_image0
_chemical_formula_structural Ru4Cl12Te
_chemical_formula_sum "Ru4 Cl12 Te1"
_cell_length_a 5.67615011
_cell_length_b 6.23663128
_cell_length_c 10.767188719999998
_cell_angle_alpha 89.99988935
_cell_angle_beta 89.99997873999999
_cell_angle_gamma 90.16930695
_sp... |
AddAtomAction | d200dec1-7eae-4817-9288-5e85cc60ee29 | mp-674343 | Add one Tc atom at the Cartesian coordinate [13.341 3.248 28.116] to the cif file. | data_image0
_chemical_formula_structural Ti10Cu7S20
_chemical_formula_sum "Ti10 Cu7 S20"
_cell_length_a 6.66552105
_cell_length_b 6.66552105
_cell_length_c 29.648604719999998
_cell_angle_alpha 81.87447903999998
_cell_angle_beta 81.87447903999998
_cell_angle_gamma 29.905861... | data_image0
_chemical_formula_structural Ti10Cu7S20Tc
_chemical_formula_sum "Ti10 Cu7 S20 Tc1"
_cell_length_a 6.66552105
_cell_length_b 6.66552105
_cell_length_c 29.648604719999998
_cell_angle_alpha 81.87447903999998
_cell_angle_beta 81.87447903999998
_cell_angle_gamma 29.... |
AddAtomAction | 57227f05-8484-4298-9602-9b1c54c15ea6 | mp-1112428 | Add one C atom at the Cartesian coordinate [7.423 5.637 1.809] to the cif file. | data_image0
_chemical_formula_structural K2EuAuCl6
_chemical_formula_sum "K2 Eu1 Au1 Cl6"
_cell_length_a 7.631531
_cell_length_b 7.6315315
_cell_length_c 7.6315312099999995
_cell_angle_alpha 59.999999790000004
_cell_angle_beta 59.99999656
_cell_angle_gamma 59.99999782
_sp... | data_image0
_chemical_formula_structural K2EuAuCl6C
_chemical_formula_sum "K2 Eu1 Au1 Cl6 C1"
_cell_length_a 7.631531
_cell_length_b 7.6315315
_cell_length_c 7.6315312099999995
_cell_angle_alpha 59.999999790000004
_cell_angle_beta 59.99999656
_cell_angle_gamma 59.99999782
... |
AddAtomAction | 2c6a8d88-5463-4705-a781-9c6a361cf17d | mp-752482 | Add one Xe atom at the Cartesian coordinate [0.046 1.776 2.739] to the cif file. | data_image0
_chemical_formula_structural Li2V6F20
_chemical_formula_sum "Li2 V6 F20"
_cell_length_a 6.564161
_cell_length_b 7.45816
_cell_length_c 7.88365
_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_I... | data_image0
_chemical_formula_structural Li2V6F20Xe
_chemical_formula_sum "Li2 V6 F20 Xe1"
_cell_length_a 6.564161
_cell_length_b 7.45816
_cell_length_c 7.88365
_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... |
AddAtomAction | 786c1a9e-5992-4892-8ba4-e3c07e5ffcad | mp-1227253 | Add one Cl atom at the Cartesian coordinate [2.981 3.009 3.659] to the cif file. | data_image0
_chemical_formula_structural CaU3Ti8O24
_chemical_formula_sum "Ca1 U3 Ti8 O24"
_cell_length_a 7.50474
_cell_length_b 7.85782394
_cell_length_c 8.45750307
_cell_angle_alpha 98.93237861
_cell_angle_beta 111.53004347
_cell_angle_gamma 94.83442283
_space_group_nam... | data_image0
_chemical_formula_structural CaU3Ti8O24Cl
_chemical_formula_sum "Ca1 U3 Ti8 O24 Cl1"
_cell_length_a 7.50474
_cell_length_b 7.85782394
_cell_length_c 8.45750307
_cell_angle_alpha 98.93237861
_cell_angle_beta 111.53004347
_cell_angle_gamma 94.83442283
_space_gro... |
AddAtomAction | 386d32c0-0f08-4684-9f40-67e6a893353b | mp-1523147 | Add one Hs atom at the Cartesian coordinate [1.67 0.877 0.587] to the cif file. | data_image0
_chemical_formula_structural SrNdMgWO6
_chemical_formula_sum "Sr1 Nd1 Mg1 W1 O6"
_cell_length_a 5.64963695
_cell_length_b 5.64963695
_cell_length_c 5.64963695
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural SrNdMgWO6Hs
_chemical_formula_sum "Sr1 Nd1 Mg1 W1 O6 Hs1"
_cell_length_a 5.64963695
_cell_length_b 5.64963695
_cell_length_c 5.64963695
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... |
AddAtomAction | 89e23ef5-4913-4b02-8ba6-1c97a82107dd | mp-755164 | Add one Yb atom at the Cartesian coordinate [3.834 0.124 3.206] to the cif file. | data_image0
_chemical_formula_structural Mn6O11F
_chemical_formula_sum "Mn6 O11 F1"
_cell_length_a 4.51288657
_cell_length_b 4.51288657
_cell_length_c 8.974585
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.80731326
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Mn6O11FYb
_chemical_formula_sum "Mn6 O11 F1 Yb1"
_cell_length_a 4.51288657
_cell_length_b 4.51288657
_cell_length_c 8.974585
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.80731326
_space_group_name_H-M_alt "P... |
AddAtomAction | 29441562-1441-497a-8346-cff3d0d52630 | mp-754147 | Add one Cn atom at the Cartesian coordinate [2.695 3.269 3.125] to the cif file. | data_image0
_chemical_formula_structural Li4Ti2Co4O10
_chemical_formula_sum "Li4 Ti2 Co4 O10"
_cell_length_a 5.234374
_cell_length_b 5.25686923
_cell_length_c 7.757459950000001
_cell_angle_alpha 82.4242968
_cell_angle_beta 70.53341686
_cell_angle_gamma 67.69116933
_space_... | data_image0
_chemical_formula_structural Li4Ti2Co4O10Cn
_chemical_formula_sum "Li4 Ti2 Co4 O10 Cn1"
_cell_length_a 5.234374
_cell_length_b 5.25686923
_cell_length_c 7.757459950000001
_cell_angle_alpha 82.4242968
_cell_angle_beta 70.53341686
_cell_angle_gamma 67.69116933
_... |
AddAtomAction | 66d7df9b-5044-4842-877c-b51b2255dc01 | mp-1324601 | Add one Li atom at the Cartesian coordinate [2.269 3.316 6.945] to the cif file. | data_image0
_chemical_formula_structural Zn12Si12Ag8O48
_chemical_formula_sum "Zn12 Si12 Ag8 O48"
_cell_length_a 10.43844495
_cell_length_b 10.43844495
_cell_length_c 10.43844495
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_... | data_image0
_chemical_formula_structural Zn12Si12Ag8O48Li
_chemical_formula_sum "Zn12 Si12 Ag8 O48 Li1"
_cell_length_a 10.43844495
_cell_length_b 10.43844495
_cell_length_c 10.43844495
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122... |
AddAtomAction | 73fdb15f-c679-4b9b-988f-e8cbc472f42a | mp-1174913 | Add one Lr atom at the Cartesian coordinate [ 2.246 4.661 10.231] to the cif file. | data_image0
_chemical_formula_structural Li7Mn2Co3O12
_chemical_formula_sum "Li7 Mn2 Co3 O12"
_cell_length_a 3.002881
_cell_length_b 5.00158641
_cell_length_c 14.49906578
_cell_angle_alpha 87.66424674
_cell_angle_beta 87.62843672
_cell_angle_gamma 86.936342
_space_group_n... | data_image0
_chemical_formula_structural Li7Mn2Co3O12Lr
_chemical_formula_sum "Li7 Mn2 Co3 O12 Lr1"
_cell_length_a 3.002881
_cell_length_b 5.00158641
_cell_length_c 14.49906578
_cell_angle_alpha 87.66424674
_cell_angle_beta 87.62843672
_cell_angle_gamma 86.936342
_space_g... |
AddAtomAction | 245c6971-c693-4f21-80d8-ba442f2b27ff | mp-18753 | Add one Fr atom at the Cartesian coordinate [6.906 2.373 3.095] to the cif file. | data_image0
_chemical_formula_structural Na3MoO3F3
_chemical_formula_sum "Na3 Mo1 O3 F3"
_cell_length_a 5.80614613
_cell_length_b 5.80614595
_cell_length_c 5.80614606
_cell_angle_alpha 57.29251827000001
_cell_angle_beta 57.29251842000001
_cell_angle_gamma 57.2925149
_spac... | data_image0
_chemical_formula_structural Na3MoO3F3Fr
_chemical_formula_sum "Na3 Mo1 O3 F3 Fr1"
_cell_length_a 5.80614613
_cell_length_b 5.80614595
_cell_length_c 5.80614606
_cell_angle_alpha 57.29251827000001
_cell_angle_beta 57.29251842000001
_cell_angle_gamma 57.2925149
... |
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