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 | 7c96b0eb-2e52-46ff-808a-3df18d0acb89 | mp-556670 | Add one V atom at the Cartesian coordinate [4.186 1.874 3.187] to the cif file. | data_image0
_chemical_formula_structural Mn4H24S4O24
_chemical_formula_sum "Mn4 H24 S4 O24"
_cell_length_a 5.674621
_cell_length_b 9.606863
_cell_length_c 9.924046
_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 Mn4H24S4O24V
_chemical_formula_sum "Mn4 H24 S4 O24 V1"
_cell_length_a 5.674621
_cell_length_b 9.606863
_cell_length_c 9.924046
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
AddAtomAction | dcd83676-bb33-46e8-b971-ce454e2514b7 | mp-1210531 | Add one Sb atom at the Cartesian coordinate [12.081 1.74 4.241] to the cif file. | data_image0
_chemical_formula_structural Pr14Br6O36
_chemical_formula_sum "Pr14 Br6 O36"
_cell_length_a 15.91249843
_cell_length_b 15.91249843
_cell_length_c 4.378747
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000178000002
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Pr14Br6O36Sb
_chemical_formula_sum "Pr14 Br6 O36 Sb1"
_cell_length_a 15.91249843
_cell_length_b 15.91249843
_cell_length_c 4.378747
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000178000002
_space_group_name... |
AddAtomAction | 5811e664-ce7b-4efa-9853-efccd9abd79e | mp-1177033 | Add one Cu atom at the Cartesian coordinate [1.396 8.087 9.201] to the cif file. | data_image0
_chemical_formula_structural Li12Mn6V2P12O48
_chemical_formula_sum "Li12 Mn6 V2 P12 O48"
_cell_length_a 8.612399
_cell_length_b 8.7233025
_cell_length_c 12.37088277
_cell_angle_alpha 89.88344668
_cell_angle_beta 88.10445251
_cell_angle_gamma 89.83653874
_space... | data_image0
_chemical_formula_structural Li12Mn6V2P12O48Cu
_chemical_formula_sum "Li12 Mn6 V2 P12 O48 Cu1"
_cell_length_a 8.612399
_cell_length_b 8.7233025
_cell_length_c 12.37088277
_cell_angle_alpha 89.88344668
_cell_angle_beta 88.10445251
_cell_angle_gamma 89.83653874
... |
AddAtomAction | 3d4fcb61-2e4a-47e6-ac39-c35dd66cf2b5 | mp-1224634 | Add one Co atom at the Cartesian coordinate [ 1.119 18.153 9.761] to the cif file. | data_image0
_chemical_formula_structural In9Ga3Bi4S24
_chemical_formula_sum "In9 Ga3 Bi4 S24"
_cell_length_a 3.884257
_cell_length_b 20.47284027
_cell_length_c 12.59901753
_cell_angle_alpha 83.63688405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural In9Ga3Bi4S24Co
_chemical_formula_sum "In9 Ga3 Bi4 S24 Co1"
_cell_length_a 3.884257
_cell_length_b 20.47284027
_cell_length_c 12.59901753
_cell_angle_alpha 83.63688405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
AddAtomAction | 5ac2fdb4-4974-4df2-bb56-5018107434c4 | mp-781014 | Add one I atom at the Cartesian coordinate [1.664 1.983 7.753] to the cif file. | data_image0
_chemical_formula_structural Li4V4P8H4O32
_chemical_formula_sum "Li4 V4 P8 H4 O32"
_cell_length_a 7.480707
_cell_length_b 9.34636263
_cell_length_c 9.362421390000002
_cell_angle_alpha 117.49468419999998
_cell_angle_beta 97.92932522
_cell_angle_gamma 97.96877453... | data_image0
_chemical_formula_structural Li4V4P8H4O32I
_chemical_formula_sum "Li4 V4 P8 H4 O32 I1"
_cell_length_a 7.480707
_cell_length_b 9.34636263
_cell_length_c 9.362421390000002
_cell_angle_alpha 117.49468419999998
_cell_angle_beta 97.92932522
_cell_angle_gamma 97.9687... |
AddAtomAction | 31aafa41-6f15-4740-a10c-1669309f6750 | mp-1199930 | Add one Cf atom at the Cartesian coordinate [3.313 5.29 3.461] to the cif file. | data_image0
_chemical_formula_structural Y4Co28Cu6
_chemical_formula_sum "Y4 Co28 Cu6"
_cell_length_a 8.31822461
_cell_length_b 8.31822461
_cell_length_c 8.147198
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000483
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Y4Co28Cu6Cf
_chemical_formula_sum "Y4 Co28 Cu6 Cf1"
_cell_length_a 8.31822461
_cell_length_b 8.31822461
_cell_length_c 8.147198
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000483
_space_group_name_H-M_alt ... |
AddAtomAction | a2737288-e79b-4ad2-8685-ab290a279551 | mp-1999 | Add one Eu atom at the Cartesian coordinate [11.656 4.197 6.331] to the cif file. | data_image0
_chemical_formula_structural Sb8O12
_chemical_formula_sum "Sb8 O12"
_cell_length_a 7.93430228
_cell_length_b 7.93430258
_cell_length_c 7.93430209
_cell_angle_alpha 59.99999757999999
_cell_angle_beta 59.999996349999996
_cell_angle_gamma 60.00000136
_space_group... | data_image0
_chemical_formula_structural Sb8O12Eu
_chemical_formula_sum "Sb8 O12 Eu1"
_cell_length_a 7.93430228
_cell_length_b 7.93430258
_cell_length_c 7.93430209
_cell_angle_alpha 59.99999757999999
_cell_angle_beta 59.999996349999996
_cell_angle_gamma 60.00000136
_space... |
AddAtomAction | 8b5669c9-3e76-4087-86a0-e0d08c1dbbcc | mp-753290 | Add one K atom at the Cartesian coordinate [2.088 0.87 6.956] to the cif file. | data_image0
_chemical_formula_structural Fe6O2F10
_chemical_formula_sum "Fe6 O2 F10"
_cell_length_a 4.782624
_cell_length_b 5.7936
_cell_length_c 8.08691079
_cell_angle_alpha 87.82672841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Fe6O2F10K
_chemical_formula_sum "Fe6 O2 F10 K1"
_cell_length_a 4.782624
_cell_length_b 5.7936
_cell_length_c 8.08691079
_cell_angle_alpha 87.82672841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
AddAtomAction | 180a6212-c6ac-4530-b758-eafe13370316 | mp-1201334 | Add one Mo atom at the Cartesian coordinate [7.564 5.85 2.852] to the cif file. | data_image0
_chemical_formula_structural NiH20PdC4N4O12
_chemical_formula_sum "Ni1 H20 Pd1 C4 N4 O12"
_cell_length_a 7.190677
_cell_length_b 7.451019
_cell_length_c 9.12756315
_cell_angle_alpha 65.91067253
_cell_angle_beta 66.80266797
_cell_angle_gamma 90.0
_space_group_n... | data_image0
_chemical_formula_structural NiH20PdC4N4O12Mo
_chemical_formula_sum "Ni1 H20 Pd1 C4 N4 O12 Mo1"
_cell_length_a 7.190677
_cell_length_b 7.451019
_cell_length_c 9.12756315
_cell_angle_alpha 65.91067253
_cell_angle_beta 66.80266797
_cell_angle_gamma 90.0
_space_g... |
AddAtomAction | 56ad248c-3ff6-4d52-89f4-319fba67f841 | mp-753829 | Add one Xe atom at the Cartesian coordinate [2.221 2.383 3.495] to the cif file. | data_image0
_chemical_formula_structural Cr4O6
_chemical_formula_sum "Cr4 O6"
_cell_length_a 5.05742377
_cell_length_b 5.52757376
_cell_length_c 5.05742872
_cell_angle_alpha 117.22418826999998
_cell_angle_beta 60.000020160000005
_cell_angle_gamma 117.22412718999999
_space... | data_image0
_chemical_formula_structural Cr4O6Xe
_chemical_formula_sum "Cr4 O6 Xe1"
_cell_length_a 5.05742377
_cell_length_b 5.52757376
_cell_length_c 5.05742872
_cell_angle_alpha 117.22418826999998
_cell_angle_beta 60.000020160000005
_cell_angle_gamma 117.22412718999999
... |
AddAtomAction | 16df59dc-62da-42b7-a515-eeab7d702eb4 | mp-1182237 | Add one Re atom at the Cartesian coordinate [3.758 1.253 3.844] to the cif file. | data_image0
_chemical_formula_structural Ba2Cl2O6
_chemical_formula_sum "Ba2 Cl2 O6"
_cell_length_a 4.080162
_cell_length_b 4.089748
_cell_length_c 12.11870887
_cell_angle_alpha 89.76972807
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Ba2Cl2O6Re
_chemical_formula_sum "Ba2 Cl2 O6 Re1"
_cell_length_a 4.080162
_cell_length_b 4.089748
_cell_length_c 12.11870887
_cell_angle_alpha 89.76972807
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
AddAtomAction | 6de41c4c-9154-4a20-a7bc-78db420c69c9 | mp-1178874 | Add one Ne atom at the Cartesian coordinate [1.722 6.563 4.578] to the cif file. | data_image0
_chemical_formula_structural V6H6O18
_chemical_formula_sum "V6 H6 O18"
_cell_length_a 5.0456714
_cell_length_b 8.772322
_cell_length_c 7.99829471
_cell_angle_alpha 90.0
_cell_angle_beta 105.06244997
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural V6H6O18Ne
_chemical_formula_sum "V6 H6 O18 Ne1"
_cell_length_a 5.0456714
_cell_length_b 8.772322
_cell_length_c 7.99829471
_cell_angle_alpha 90.0
_cell_angle_beta 105.06244997
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
AddAtomAction | 72cb8e0c-6195-432b-95e2-1818613b5de0 | mp-1191760 | Add one Si atom at the Cartesian coordinate [1.861 6.79 6.386] to the cif file. | data_image0
_chemical_formula_structural Na5V2P3O15
_chemical_formula_sum "Na5 V2 P3 O15"
_cell_length_a 5.22719757
_cell_length_b 6.361366
_cell_length_c 10.65333373
_cell_angle_alpha 72.62873264
_cell_angle_beta 89.65477152999999
_cell_angle_gamma 88.84362522
_space_gro... | data_image0
_chemical_formula_structural Na5V2P3O15Si
_chemical_formula_sum "Na5 V2 P3 O15 Si1"
_cell_length_a 5.22719757
_cell_length_b 6.361366
_cell_length_c 10.65333373
_cell_angle_alpha 72.62873264
_cell_angle_beta 89.65477152999999
_cell_angle_gamma 88.84362522
_spa... |
AddAtomAction | 80470c25-6274-4e11-9948-58f8a073eeb1 | mp-771159 | Add one Ba atom at the Cartesian coordinate [0.592 7.734 0.555] to the cif file. | data_image0
_chemical_formula_structural Li4V6W2O16
_chemical_formula_sum "Li4 V6 W2 O16"
_cell_length_a 6.11881642
_cell_length_b 10.558866989999999
_cell_length_c 6.036078419999999
_cell_angle_alpha 105.36620891
_cell_angle_beta 59.61827603999999
_cell_angle_gamma 90.066... | data_image0
_chemical_formula_structural Li4V6W2O16Ba
_chemical_formula_sum "Li4 V6 W2 O16 Ba1"
_cell_length_a 6.11881642
_cell_length_b 10.558866989999999
_cell_length_c 6.036078419999999
_cell_angle_alpha 105.36620891
_cell_angle_beta 59.61827603999999
_cell_angle_gamma ... |
AddAtomAction | 13aefc98-af02-4bee-ba59-d0def4769c97 | mp-531238 | Add one Bk atom at the Cartesian coordinate [3.675 3.437 8.653] to the cif file. | data_image0
_chemical_formula_structural Cd12Ga24O48
_chemical_formula_sum "Cd12 Ga24 O48"
_cell_length_a 6.17552206
_cell_length_b 6.17552206
_cell_length_c 30.461837
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000062
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cd12Ga24O48Bk
_chemical_formula_sum "Cd12 Ga24 O48 Bk1"
_cell_length_a 6.17552206
_cell_length_b 6.17552206
_cell_length_c 30.461837
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000062
_space_group_name_H-M_... |
AddAtomAction | 87215ce9-2c68-447c-80fd-fdf9300fafd0 | mp-6215 | Add one Se atom at the Cartesian coordinate [1.027 3.29 1.921] to the cif file. | data_image0
_chemical_formula_structural Ag2Hg2As2S6
_chemical_formula_sum "Ag2 Hg2 As2 S6"
_cell_length_a 6.59009171
_cell_length_b 6.59009171
_cell_length_c 7.85117914
_cell_angle_alpha 78.09616262
_cell_angle_beta 78.09616262
_cell_angle_gamma 118.91525133
_space_group... | data_image0
_chemical_formula_structural Ag2Hg2As2S6Se
_chemical_formula_sum "Ag2 Hg2 As2 S6 Se1"
_cell_length_a 6.59009171
_cell_length_b 6.59009171
_cell_length_c 7.85117914
_cell_angle_alpha 78.09616262
_cell_angle_beta 78.09616262
_cell_angle_gamma 118.91525133
_space... |
AddAtomAction | 5277bc8e-9d0b-403c-9310-dcf672b34de7 | mp-676077 | Add one Rn atom at the Cartesian coordinate [7.463 0.882 2.152] to the cif file. | data_image0
_chemical_formula_structural Ce3Nd2O9
_chemical_formula_sum "Ce3 Nd2 O9"
_cell_length_a 14.21633461
_cell_length_b 14.21633461
_cell_length_c 14.21633461
_cell_angle_alpha 164.23017156999998
_cell_angle_beta 164.23017157000004
_cell_angle_gamma 22.3734551900000... | data_image0
_chemical_formula_structural Ce3Nd2O9Rn
_chemical_formula_sum "Ce3 Nd2 O9 Rn1"
_cell_length_a 14.21633461
_cell_length_b 14.21633461
_cell_length_c 14.21633461
_cell_angle_alpha 164.23017156999998
_cell_angle_beta 164.23017157000004
_cell_angle_gamma 22.3734551... |
AddAtomAction | e1fa2bdd-d631-43ba-ace1-870469d0c7fc | mp-1026730 | Add one Y atom at the Cartesian coordinate [2.96 5.091 5.618] to the cif file. | data_image0
_chemical_formula_structural LaMg14Bi
_chemical_formula_sum "La1 Mg14 Bi1"
_cell_length_a 6.54117246
_cell_length_b 6.5411719
_cell_length_c 10.75398076
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000281
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural LaMg14BiY
_chemical_formula_sum "La1 Mg14 Bi1 Y1"
_cell_length_a 6.54117246
_cell_length_b 6.5411719
_cell_length_c 10.75398076
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000281
_space_group_name_H-M_alt ... |
AddAtomAction | 7e554941-2ebb-4c0b-a734-855cdea7a21c | mp-1192912 | Add one Ds atom at the Cartesian coordinate [7.425 0.299 2.388] to the cif file. | data_image0
_chemical_formula_structural La12Ru4Br12
_chemical_formula_sum "La12 Ru4 Br12"
_cell_length_a 10.57664528
_cell_length_b 10.576645279999997
_cell_length_c 10.57664528
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_... | data_image0
_chemical_formula_structural La12Ru4Br12Ds
_chemical_formula_sum "La12 Ru4 Br12 Ds1"
_cell_length_a 10.57664528
_cell_length_b 10.576645279999997
_cell_length_c 10.57664528
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122... |
AddAtomAction | 8e1d77ad-1569-4b7d-9827-5c7da780c4d9 | mp-774335 | Add one Br atom at the Cartesian coordinate [ 1.667 4.879 23.402] to the cif file. | data_image0
_chemical_formula_structural Sn16P16O56
_chemical_formula_sum "Sn16 P16 O56"
_cell_length_a 7.031273
_cell_length_b 7.031273
_cell_length_c 25.553671
_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 Sn16P16O56Br
_chemical_formula_sum "Sn16 P16 O56 Br1"
_cell_length_a 7.031273
_cell_length_b 7.031273
_cell_length_c 25.553671
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
AddAtomAction | d5d45b1e-7c1b-4711-aa66-8c8b9f54c69d | mp-1026412 | Add one Y atom at the Cartesian coordinate [3.031 3.974 3.613] to the cif file. | data_image0
_chemical_formula_structural BaMg14Sn
_chemical_formula_sum "Ba1 Mg14 Sn1"
_cell_length_a 6.57999714
_cell_length_b 6.57999657
_cell_length_c 10.76078634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural BaMg14SnY
_chemical_formula_sum "Ba1 Mg14 Sn1 Y1"
_cell_length_a 6.57999714
_cell_length_b 6.57999657
_cell_length_c 10.76078634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-... |
AddAtomAction | d236c9d6-0abf-4566-ade0-516a4a380c79 | mp-637030 | Add one Th atom at the Cartesian coordinate [38.638 5.72 2.956] to the cif file. | data_image0
_chemical_formula_structural Gd2Al6Si4Pt
_chemical_formula_sum "Gd2 Al6 Si4 Pt1"
_cell_length_a 17.18022257
_cell_length_b 17.18022257
_cell_length_c 17.18022252
_cell_angle_alpha 13.912585979999987
_cell_angle_beta 13.912585980000012
_cell_angle_gamma 13.91258... | data_image0
_chemical_formula_structural Gd2Al6Si4PtTh
_chemical_formula_sum "Gd2 Al6 Si4 Pt1 Th1"
_cell_length_a 17.18022257
_cell_length_b 17.18022257
_cell_length_c 17.18022252
_cell_angle_alpha 13.912585979999987
_cell_angle_beta 13.912585980000012
_cell_angle_gamma 13... |
AddAtomAction | 9837d4e3-8df9-4a5b-af93-e0b9b14f8e4a | mp-699405 | Add one Fl atom at the Cartesian coordinate [3.664 7.844 9.398] to the cif file. | data_image0
_chemical_formula_structural Ca6Mg5Al2Si11O36
_chemical_formula_sum "Ca6 Mg5 Al2 Si11 O36"
_cell_length_a 6.650531
_cell_length_b 6.654762510000001
_cell_length_c 15.97132531
_cell_angle_alpha 78.01366495
_cell_angle_beta 78.21072673
_cell_angle_gamma 84.428660... | data_image0
_chemical_formula_structural Ca6Mg5Al2Si11O36Fl
_chemical_formula_sum "Ca6 Mg5 Al2 Si11 O36 Fl1"
_cell_length_a 6.650531
_cell_length_b 6.654762510000001
_cell_length_c 15.97132531
_cell_angle_alpha 78.01366495
_cell_angle_beta 78.21072673
_cell_angle_gamma 84.... |
AddAtomAction | 4b46bf02-eaf2-40c3-a3d8-33e81fbe7926 | mp-25954 | Add one Hf atom at the Cartesian coordinate [5.913 1. 2.127] to the cif file. | data_image0
_chemical_formula_structural Co6P6O24
_chemical_formula_sum "Co6 P6 O24"
_cell_length_a 7.44144799
_cell_length_b 7.441447990000001
_cell_length_c 9.372664
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999993
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Co6P6O24Hf
_chemical_formula_sum "Co6 P6 O24 Hf1"
_cell_length_a 7.44144799
_cell_length_b 7.441447990000001
_cell_length_c 9.372664
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999993
_space_group_name_H-M_... |
AddAtomAction | 69eb3077-4bb3-4a89-b488-9a54a5a23833 | mp-772524 | Add one Cu atom at the Cartesian coordinate [3.115 0.904 1.137] to the cif file. | data_image0
_chemical_formula_structural Li2Ti4P6O24
_chemical_formula_sum "Li2 Ti4 P6 O24"
_cell_length_a 8.330953
_cell_length_b 8.38168201
_cell_length_c 8.999558419999998
_cell_angle_alpha 90.22714122
_cell_angle_beta 117.54130975000001
_cell_angle_gamma 119.4789713700... | data_image0
_chemical_formula_structural Li2Ti4P6O24Cu
_chemical_formula_sum "Li2 Ti4 P6 O24 Cu1"
_cell_length_a 8.330953
_cell_length_b 8.38168201
_cell_length_c 8.999558419999998
_cell_angle_alpha 90.22714122
_cell_angle_beta 117.54130975000001
_cell_angle_gamma 119.4789... |
AddAtomAction | 600d7eb8-56c0-4a2a-9b04-c1186e048b92 | mp-2218579 | Add one W atom at the Cartesian coordinate [3.857 5.952 1.956] to the cif file. | data_image0
_chemical_formula_structural Na2MgCu4O6
_chemical_formula_sum "Na2 Mg1 Cu4 O6"
_cell_length_a 4.27997979
_cell_length_b 9.66600533
_cell_length_c 3.85086784
_cell_angle_alpha 90.0
_cell_angle_beta 80.78352214
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na2MgCu4O6W
_chemical_formula_sum "Na2 Mg1 Cu4 O6 W1"
_cell_length_a 4.27997979
_cell_length_b 9.66600533
_cell_length_c 3.85086784
_cell_angle_alpha 90.0
_cell_angle_beta 80.78352214
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
AddAtomAction | 6cbf41aa-3ff8-4766-9902-f7f9a507077c | mp-1218673 | Add one Es atom at the Cartesian coordinate [16.006 3.665 2.864] to the cif file. | data_image0
_chemical_formula_structural Sr4Zn51
_chemical_formula_sum "Sr4 Zn51"
_cell_length_a 14.96096755
_cell_length_b 14.960967550000001
_cell_length_c 14.960967560000002
_cell_angle_alpha 33.90467868000001
_cell_angle_beta 33.90467868000001
_cell_angle_gamma 33.9046... | data_image0
_chemical_formula_structural Sr4Zn51Es
_chemical_formula_sum "Sr4 Zn51 Es1"
_cell_length_a 14.96096755
_cell_length_b 14.960967550000001
_cell_length_c 14.960967560000002
_cell_angle_alpha 33.90467868000001
_cell_angle_beta 33.90467868000001
_cell_angle_gamma 3... |
AddAtomAction | ffca4ac4-e79f-475d-b64a-3fb79d42d6a1 | mp-557900 | Add one Li atom at the Cartesian coordinate [4.534 7.316 6.134] to the cif file. | data_image0
_chemical_formula_structural Sb4C4S4Cl8F36
_chemical_formula_sum "Sb4 C4 S4 Cl8 F36"
_cell_length_a 9.807782
_cell_length_b 8.027716
_cell_length_c 12.749867329999999
_cell_angle_alpha 79.61769552
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Sb4C4S4Cl8F36Li
_chemical_formula_sum "Sb4 C4 S4 Cl8 F36 Li1"
_cell_length_a 9.807782
_cell_length_b 8.027716
_cell_length_c 12.749867329999999
_cell_angle_alpha 79.61769552
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
AddAtomAction | 91a1e32a-e4de-4e31-9b34-ae0602e5e3eb | mp-510041 | Add one Mt atom at the Cartesian coordinate [3.484 1.276 2.527] to the cif file. | data_image0
_chemical_formula_structural Hf8Ni8Sn4
_chemical_formula_sum "Hf8 Ni8 Sn4"
_cell_length_a 7.068831
_cell_length_b 7.068831
_cell_length_c 6.786952
_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 Hf8Ni8Sn4Mt
_chemical_formula_sum "Hf8 Ni8 Sn4 Mt1"
_cell_length_a 7.068831
_cell_length_b 7.068831
_cell_length_c 6.786952
_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 | 66310e3a-6efc-4fbd-afe4-133d4c7e1c03 | mp-1043418 | Add one Bh atom at the Cartesian coordinate [2.904 1.051 1.248] to the cif file. | data_image0
_chemical_formula_structural Co8O12
_chemical_formula_sum "Co8 O12"
_cell_length_a 5.15061024
_cell_length_b 5.150610239999999
_cell_length_c 15.216366
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 145.9219317
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Co8O12Bh
_chemical_formula_sum "Co8 O12 Bh1"
_cell_length_a 5.15061024
_cell_length_b 5.150610239999999
_cell_length_c 15.216366
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 145.9219317
_space_group_name_H-M_alt ... |
AddAtomAction | 328d2729-845d-45a0-aac4-3a33993f6781 | mp-2217675 | Add one Ag atom at the Cartesian coordinate [-0.203 1.696 4.204] to the cif file. | data_image0
_chemical_formula_structural MgMn2Al2O6
_chemical_formula_sum "Mg1 Mn2 Al2 O6"
_cell_length_a 4.99243128
_cell_length_b 5.73153045
_cell_length_c 5.54050531
_cell_angle_alpha 69.57045259
_cell_angle_beta 115.15394843
_cell_angle_gamma 112.72876431000002
_space... | data_image0
_chemical_formula_structural MgMn2Al2O6Ag
_chemical_formula_sum "Mg1 Mn2 Al2 O6 Ag1"
_cell_length_a 4.99243128
_cell_length_b 5.73153045
_cell_length_c 5.54050531
_cell_angle_alpha 69.57045259
_cell_angle_beta 115.15394843
_cell_angle_gamma 112.72876431000002
... |
AddAtomAction | 630c07ef-9189-44b1-8d35-cc7d05bfad5f | mp-1190964 | Add one F atom at the Cartesian coordinate [13.347 8.212 6.445] to the cif file. | data_image0
_chemical_formula_structural Te5Pd20
_chemical_formula_sum "Te5 Pd20"
_cell_length_a 8.84438838
_cell_length_b 8.84438838
_cell_length_c 8.84438838
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_spac... | data_image0
_chemical_formula_structural Te5Pd20F
_chemical_formula_sum "Te5 Pd20 F1"
_cell_length_a 8.84438838
_cell_length_b 8.84438838
_cell_length_c 8.84438838
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_... |
AddAtomAction | 2112c33d-0008-4757-84f2-d43fb8c3ee67 | mp-754936 | Add one Rh atom at the Cartesian coordinate [6.432 1.465 3.782] to the cif file. | data_image0
_chemical_formula_structural Dy2Al2O6
_chemical_formula_sum "Dy2 Al2 O6"
_cell_length_a 5.23705629
_cell_length_b 5.23705629
_cell_length_c 5.23705661
_cell_angle_alpha 60.91956114
_cell_angle_beta 60.91956114
_cell_angle_gamma 60.91956644
_space_group_name_H-... | data_image0
_chemical_formula_structural Dy2Al2O6Rh
_chemical_formula_sum "Dy2 Al2 O6 Rh1"
_cell_length_a 5.23705629
_cell_length_b 5.23705629
_cell_length_c 5.23705661
_cell_angle_alpha 60.91956114
_cell_angle_beta 60.91956114
_cell_angle_gamma 60.91956644
_space_group_n... |
AddAtomAction | 9ac7e022-e821-4923-acd9-3666b8423c8c | mp-531064 | Add one Nh atom at the Cartesian coordinate [ 6.064 13.167 3.973] to the cif file. | data_image0
_chemical_formula_structural K8Mo24Br56
_chemical_formula_sum "K8 Mo24 Br56"
_cell_length_a 14.128482
_cell_length_b 14.352916
_cell_length_c 14.393337
_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 K8Mo24Br56Nh
_chemical_formula_sum "K8 Mo24 Br56 Nh1"
_cell_length_a 14.128482
_cell_length_b 14.352916
_cell_length_c 14.393337
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
AddAtomAction | 391c3523-bd63-445e-b04f-a25be3e9ddaa | mp-542012 | Add one Gd atom at the Cartesian coordinate [ 9.818 4.028 10.173] to the cif file. | data_image0
_chemical_formula_structural Rb8Hf6S28
_chemical_formula_sum "Rb8 Hf6 S28"
_cell_length_a 11.68521516
_cell_length_b 11.685215160000002
_cell_length_c 13.619825350000001
_cell_angle_alpha 69.26119854000001
_cell_angle_beta 69.26119854000001
_cell_angle_gamma 41... | data_image0
_chemical_formula_structural Rb8Hf6S28Gd
_chemical_formula_sum "Rb8 Hf6 S28 Gd1"
_cell_length_a 11.68521516
_cell_length_b 11.685215160000002
_cell_length_c 13.619825350000001
_cell_angle_alpha 69.26119854000001
_cell_angle_beta 69.26119854000001
_cell_angle_gamma... |
AddAtomAction | 34bea7e0-63d1-41d4-9139-f3fbe4892385 | mp-1224058 | Add one Pa atom at the Cartesian coordinate [ 0.476 10.415 3.485] to the cif file. | data_image0
_chemical_formula_structural Ho6S2O2F10
_chemical_formula_sum "Ho6 S2 O2 F10"
_cell_length_a 3.674433
_cell_length_b 9.372114
_cell_length_c 9.42408047
_cell_angle_alpha 60.43770842000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ho6S2O2F10Pa
_chemical_formula_sum "Ho6 S2 O2 F10 Pa1"
_cell_length_a 3.674433
_cell_length_b 9.372114
_cell_length_c 9.42408047
_cell_angle_alpha 60.43770842000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
AddAtomAction | 9f6952f9-18ed-4dd0-b6da-9f2c553972fd | mp-686618 | Add one Li atom at the Cartesian coordinate [4.318 6.105 7.207] to the cif file. | data_image0
_chemical_formula_structural YAl6Si30N45O3
_chemical_formula_sum "Y1 Al6 Si30 N45 O3"
_cell_length_a 7.867781
_cell_length_b 7.88304542
_cell_length_c 17.12646181
_cell_angle_alpha 90.28235966
_cell_angle_beta 89.9019146
_cell_angle_gamma 119.55043271
_space_g... | data_image0
_chemical_formula_structural YAl6Si30N45O3Li
_chemical_formula_sum "Y1 Al6 Si30 N45 O3 Li1"
_cell_length_a 7.867781
_cell_length_b 7.88304542
_cell_length_c 17.12646181
_cell_angle_alpha 90.28235966
_cell_angle_beta 89.9019146
_cell_angle_gamma 119.55043271
_s... |
AddAtomAction | 5ee370a8-4332-4e4e-a85d-a5ced4639a68 | mp-1347506 | Add one Na atom at the Cartesian coordinate [5.222 4.505 2.798] to the cif file. | data_image0
_chemical_formula_structural Mg4Cu2Ir2O12
_chemical_formula_sum "Mg4 Cu2 Ir2 O12"
_cell_length_a 5.303478
_cell_length_b 5.072948
_cell_length_c 9.16550183
_cell_angle_alpha 57.35212348
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg4Cu2Ir2O12Na
_chemical_formula_sum "Mg4 Cu2 Ir2 O12 Na1"
_cell_length_a 5.303478
_cell_length_b 5.072948
_cell_length_c 9.16550183
_cell_angle_alpha 57.35212348
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
AddAtomAction | 2c05c3d6-93dc-4a28-9c9e-06e199c99224 | mp-1523289 | Add one Ar atom at the Cartesian coordinate [2.597 0.108 6.656] to the cif file. | data_image0
_chemical_formula_structural BaCaSn4O12
_chemical_formula_sum "Ba1 Ca1 Sn4 O12"
_cell_length_a 5.80842052
_cell_length_b 5.808420519999999
_cell_length_c 8.17261522
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.94865429999999
_space_group_n... | data_image0
_chemical_formula_structural BaCaSn4O12Ar
_chemical_formula_sum "Ba1 Ca1 Sn4 O12 Ar1"
_cell_length_a 5.80842052
_cell_length_b 5.808420519999999
_cell_length_c 8.17261522
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.94865429999999
_space_g... |
AddAtomAction | 9629962b-1f8a-42e9-91e3-9d861befe8ac | mp-2647063 | Add one Fe atom at the Cartesian coordinate [-0.698 7.996 2.766] to the cif file. | data_image0
_chemical_formula_structural Ru4Cl12
_chemical_formula_sum "Ru4 Cl12"
_cell_length_a 6.02991438
_cell_length_b 10.484943
_cell_length_c 6.698872009999999
_cell_angle_alpha 90.0
_cell_angle_beta 106.89712289999999
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ru4Cl12Fe
_chemical_formula_sum "Ru4 Cl12 Fe1"
_cell_length_a 6.02991438
_cell_length_b 10.484943
_cell_length_c 6.698872009999999
_cell_angle_alpha 90.0
_cell_angle_beta 106.89712289999999
_cell_angle_gamma 90.0
_space_group_name_... |
AddAtomAction | ff73fed8-ccd8-41ef-8364-5406ea98bced | mp-1207461 | Add one Np atom at the Cartesian coordinate [ 0.969 10.651 1.318] to the cif file. | data_image0
_chemical_formula_structural Zr12P2I28
_chemical_formula_sum "Zr12 P2 I28"
_cell_length_a 10.9834047
_cell_length_b 10.98340538
_cell_length_c 13.261243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 95.13368863
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Zr12P2I28Np
_chemical_formula_sum "Zr12 P2 I28 Np1"
_cell_length_a 10.9834047
_cell_length_b 10.98340538
_cell_length_c 13.261243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 95.13368863
_space_group_name_H-M_alt ... |
AddAtomAction | 4a6e5060-6062-4033-a8ec-e241b14929c1 | mp-1210254 | Add one Nb atom at the Cartesian coordinate [3.47 3.851 4.396] to the cif file. | data_image0
_chemical_formula_structural Ni4O16F8
_chemical_formula_sum "Ni4 O16 F8"
_cell_length_a 5.372365
_cell_length_b 6.329703
_cell_length_c 11.432453
_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 Ni4O16F8Nb
_chemical_formula_sum "Ni4 O16 F8 Nb1"
_cell_length_a 5.372365
_cell_length_b 6.329703
_cell_length_c 11.432453
_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 | 0f110224-e3e7-450b-9636-bfd29f464d2d | mp-30464 | Add one Co atom at the Cartesian coordinate [-0.398 1.067 4.265] to the cif file. | data_image0
_chemical_formula_structural Bi4Pd10
_chemical_formula_sum "Bi4 Pd10"
_cell_length_a 5.86907876
_cell_length_b 6.80214419
_cell_length_c 7.72867934
_cell_angle_alpha 115.12698734
_cell_angle_beta 112.27544877999999
_cell_angle_gamma 89.99573514
_space_group_na... | data_image0
_chemical_formula_structural Bi4Pd10Co
_chemical_formula_sum "Bi4 Pd10 Co1"
_cell_length_a 5.86907876
_cell_length_b 6.80214419
_cell_length_c 7.72867934
_cell_angle_alpha 115.12698734
_cell_angle_beta 112.27544877999999
_cell_angle_gamma 89.99573514
_space_gr... |
AddAtomAction | 0b416930-872e-4194-9d19-6b75dff705ae | mp-1205615 | Add one Cd atom at the Cartesian coordinate [2.791 0.087 1.836] to the cif file. | data_image0
_chemical_formula_structural La4Co4I2
_chemical_formula_sum "La4 Co4 I2"
_cell_length_a 4.03631804
_cell_length_b 4.03631804
_cell_length_c 17.93186934
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La4Co4I2Cd
_chemical_formula_sum "La4 Co4 I2 Cd1"
_cell_length_a 4.03631804
_cell_length_b 4.03631804
_cell_length_c 17.93186934
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604999998
_space_group_name_H-... |
AddAtomAction | 24ce3f6d-8b23-4bc2-b9d1-5392916d8dcb | mp-1048316 | Add one Nb atom at the Cartesian coordinate [1.069 3.049 2.047] to the cif file. | data_image0
_chemical_formula_structural Ba2YCo3O7
_chemical_formula_sum "Ba2 Y1 Co3 O7"
_cell_length_a 3.899804
_cell_length_b 3.990514
_cell_length_c 11.59648
_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 Ba2YCo3O7Nb
_chemical_formula_sum "Ba2 Y1 Co3 O7 Nb1"
_cell_length_a 3.899804
_cell_length_b 3.990514
_cell_length_c 11.59648
_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 | 40db7e21-82fd-4c24-b42f-80b449464dc7 | mp-1247511 | Add one Ag atom at the Cartesian coordinate [-20.723 -2.346 5.394] to the cif file. | data_image0
_chemical_formula_structural Na12W4N8
_chemical_formula_sum "Na12 W4 N8"
_cell_length_a 13.21816615
_cell_length_b 6.467537
_cell_length_c 24.80366161
_cell_angle_alpha 89.99999754
_cell_angle_beta 159.75828686000003
_cell_angle_gamma 104.1609021
_space_group_... | data_image0
_chemical_formula_structural Na12W4N8Ag
_chemical_formula_sum "Na12 W4 N8 Ag1"
_cell_length_a 13.21816615
_cell_length_b 6.467537
_cell_length_c 24.80366161
_cell_angle_alpha 89.99999754
_cell_angle_beta 159.75828686000003
_cell_angle_gamma 104.1609021
_space_... |
AddAtomAction | 6e5426b2-aea8-4ba9-b68e-4995050921fa | mp-1235910 | Add one Re atom at the Cartesian coordinate [1.444 7.256 4.314] to the cif file. | data_image0
_chemical_formula_structural LiMn6O4F8
_chemical_formula_sum "Li1 Mn6 O4 F8"
_cell_length_a 4.96618462
_cell_length_b 7.95394579
_cell_length_c 5.84797195
_cell_angle_alpha 92.73156028999999
_cell_angle_beta 91.94688431999998
_cell_angle_gamma 88.24166634000001... | data_image0
_chemical_formula_structural LiMn6O4F8Re
_chemical_formula_sum "Li1 Mn6 O4 F8 Re1"
_cell_length_a 4.96618462
_cell_length_b 7.95394579
_cell_length_c 5.84797195
_cell_angle_alpha 92.73156028999999
_cell_angle_beta 91.94688431999998
_cell_angle_gamma 88.24166634... |
AddAtomAction | 63f1432b-8d3a-43ba-be4a-76350889bbfe | mp-532413 | Add one Lv atom at the Cartesian coordinate [13.826 10.989 7.978] to the cif file. | data_image0
_chemical_formula_structural Li20B28S52
_chemical_formula_sum "Li20 B28 S52"
_cell_length_a 14.00007587
_cell_length_b 14.00007587
_cell_length_c 12.32493186
_cell_angle_alpha 63.92220882000001
_cell_angle_beta 63.92220882000001
_cell_angle_gamma 103.0203757
_... | data_image0
_chemical_formula_structural Li20B28S52Lv
_chemical_formula_sum "Li20 B28 S52 Lv1"
_cell_length_a 14.00007587
_cell_length_b 14.00007587
_cell_length_c 12.32493186
_cell_angle_alpha 63.92220882000001
_cell_angle_beta 63.92220882000001
_cell_angle_gamma 103.0203... |
AddAtomAction | 127e3b06-f571-46de-9cca-0f5caf56cf6d | mp-769628 | Add one Tb atom at the Cartesian coordinate [2.673 0.352 2.531] to the cif file. | data_image0
_chemical_formula_structural Li8V6Cr2O16
_chemical_formula_sum "Li8 V6 Cr2 O16"
_cell_length_a 5.17703722
_cell_length_b 5.98331107
_cell_length_c 10.782648249999998
_cell_angle_alpha 106.02238287000002
_cell_angle_beta 85.40813636999998
_cell_angle_gamma 73.14... | data_image0
_chemical_formula_structural Li8V6Cr2O16Tb
_chemical_formula_sum "Li8 V6 Cr2 O16 Tb1"
_cell_length_a 5.17703722
_cell_length_b 5.98331107
_cell_length_c 10.782648249999998
_cell_angle_alpha 106.02238287000002
_cell_angle_beta 85.40813636999998
_cell_angle_gamma ... |
AddAtomAction | 7ea792a9-f13e-4f54-9a36-d367d6ee05ea | mp-1041645 | Add one Ho atom at the Cartesian coordinate [1.737 5.744 3.114] to the cif file. | data_image0
_chemical_formula_structural Al2Sb2W4O16
_chemical_formula_sum "Al2 Sb2 W4 O16"
_cell_length_a 5.627521
_cell_length_b 5.198103
_cell_length_c 10.68662032
_cell_angle_alpha 60.811312539999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Al2Sb2W4O16Ho
_chemical_formula_sum "Al2 Sb2 W4 O16 Ho1"
_cell_length_a 5.627521
_cell_length_b 5.198103
_cell_length_c 10.68662032
_cell_angle_alpha 60.811312539999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
AddAtomAction | 64e5ecaf-fa06-4414-95fd-8db7973dd4df | mp-1032153 | Add one Yb atom at the Cartesian coordinate [0.322 3.772 1.062] to the cif file. | data_image0
_chemical_formula_structural Mg6CoCuO8
_chemical_formula_sum "Mg6 Co1 Cu1 O8"
_cell_length_a 8.61077705
_cell_length_b 4.20526714
_cell_length_c 4.20526714
_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 Mg6CoCuO8Yb
_chemical_formula_sum "Mg6 Co1 Cu1 O8 Yb1"
_cell_length_a 8.61077705
_cell_length_b 4.20526714
_cell_length_c 4.20526714
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
AddAtomAction | bcf49fec-c842-4533-808d-d83b82abd1b3 | mp-1235662 | Add one Cm atom at the Cartesian coordinate [6.678 2.35 2.482] to the cif file. | data_image0
_chemical_formula_structural LiY2Fe4O8
_chemical_formula_sum "Li1 Y2 Fe4 O8"
_cell_length_a 6.61056329
_cell_length_b 6.12583557
_cell_length_c 6.60887279
_cell_angle_alpha 62.55811515
_cell_angle_beta 57.31319605
_cell_angle_gamma 62.44010105
_space_group_nam... | data_image0
_chemical_formula_structural LiY2Fe4O8Cm
_chemical_formula_sum "Li1 Y2 Fe4 O8 Cm1"
_cell_length_a 6.61056329
_cell_length_b 6.12583557
_cell_length_c 6.60887279
_cell_angle_alpha 62.55811515
_cell_angle_beta 57.31319605
_cell_angle_gamma 62.44010105
_space_gro... |
AddAtomAction | 8ac8c037-81b9-419d-8e46-b0dab88eb930 | mp-1215797 | Add one Pb atom at the Cartesian coordinate [5.538 2.29 0.792] to the cif file. | data_image0
_chemical_formula_structural Zn2Cu10Sb4S13
_chemical_formula_sum "Zn2 Cu10 Sb4 S13"
_cell_length_a 9.03952655
_cell_length_b 9.03952655
_cell_length_c 9.03952655
_cell_angle_alpha 109.77039132999998
_cell_angle_beta 109.77039133
_cell_angle_gamma 108.8745219899... | data_image0
_chemical_formula_structural Zn2Cu10Sb4S13Pb
_chemical_formula_sum "Zn2 Cu10 Sb4 S13 Pb1"
_cell_length_a 9.03952655
_cell_length_b 9.03952655
_cell_length_c 9.03952655
_cell_angle_alpha 109.77039132999998
_cell_angle_beta 109.77039133
_cell_angle_gamma 108.8745... |
AddAtomAction | fa68d295-28ed-446e-a4f3-e1fc1e0674bb | mp-1193732 | Add one Pm atom at the Cartesian coordinate [ 4.457 10.012 8.341] to the cif file. | data_image0
_chemical_formula_structural Te4Pd2Pb4Cl4O12
_chemical_formula_sum "Te4 Pd2 Pb4 Cl4 O12"
_cell_length_a 5.554361
_cell_length_b 8.317594
_cell_length_c 13.30471562
_cell_angle_alpha 56.04954906
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Te4Pd2Pb4Cl4O12Pm
_chemical_formula_sum "Te4 Pd2 Pb4 Cl4 O12 Pm1"
_cell_length_a 5.554361
_cell_length_b 8.317594
_cell_length_c 13.30471562
_cell_angle_alpha 56.04954906
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
AddAtomAction | 5276fa17-332e-44b9-9aa8-d97c9525dade | mp-7593 | Add one V atom at the Cartesian coordinate [2.141 2.001 7.289] to the cif file. | data_image0
_chemical_formula_structural Rb4Li4F8
_chemical_formula_sum "Rb4 Li4 F8"
_cell_length_a 6.24092878
_cell_length_b 6.24092878
_cell_length_c 7.78676897
_cell_angle_alpha 87.14777964999999
_cell_angle_beta 87.14777964999999
_cell_angle_gamma 124.97890619999998
_... | data_image0
_chemical_formula_structural Rb4Li4F8V
_chemical_formula_sum "Rb4 Li4 F8 V1"
_cell_length_a 6.24092878
_cell_length_b 6.24092878
_cell_length_c 7.78676897
_cell_angle_alpha 87.14777964999999
_cell_angle_beta 87.14777964999999
_cell_angle_gamma 124.9789061999999... |
AddAtomAction | f0911ea6-8766-4428-9419-ede4d46872b6 | mp-26088 | Add one La atom at the Cartesian coordinate [0.851 0.791 8.568] to the cif file. | data_image0
_chemical_formula_structural Li4Co8P12O48
_chemical_formula_sum "Li4 Co8 P12 O48"
_cell_length_a 8.675564
_cell_length_b 8.589091
_cell_length_c 12.099115949999998
_cell_angle_alpha 89.42846360999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Li4Co8P12O48La
_chemical_formula_sum "Li4 Co8 P12 O48 La1"
_cell_length_a 8.675564
_cell_length_b 8.589091
_cell_length_c 12.099115949999998
_cell_angle_alpha 89.42846360999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
AddAtomAction | 64706ceb-4e0d-4036-b666-31d486075f78 | mp-978968 | Add one Cn atom at the Cartesian coordinate [ 4.057 -0.559 3.151] to the cif file. | data_image0
_chemical_formula_structural Ti6O4
_chemical_formula_sum "Ti6 O4"
_cell_length_a 5.10178254
_cell_length_b 5.10248261
_cell_length_c 5.763470289999999
_cell_angle_alpha 116.26941068999999
_cell_angle_beta 63.72712982
_cell_angle_gamma 119.99390627
_space_group... | data_image0
_chemical_formula_structural Ti6O4Cn
_chemical_formula_sum "Ti6 O4 Cn1"
_cell_length_a 5.10178254
_cell_length_b 5.10248261
_cell_length_c 5.763470289999999
_cell_angle_alpha 116.26941068999999
_cell_angle_beta 63.72712982
_cell_angle_gamma 119.99390627
_space... |
AddAtomAction | 46dd7241-e938-4271-9048-202c469a3c7c | mp-1181318 | Add one In atom at the Cartesian coordinate [2.516 4.014 6.361] to the cif file. | data_image0
_chemical_formula_structural Ga2P2N2O10
_chemical_formula_sum "Ga2 P2 N2 O10"
_cell_length_a 6.418705
_cell_length_b 4.608994
_cell_length_c 8.139439520000002
_cell_angle_alpha 83.58272771999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Ga2P2N2O10In
_chemical_formula_sum "Ga2 P2 N2 O10 In1"
_cell_length_a 6.418705
_cell_length_b 4.608994
_cell_length_c 8.139439520000002
_cell_angle_alpha 83.58272771999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
AddAtomAction | eed1fef9-e2ac-4c6c-a065-ec9bb28e4e28 | mp-557662 | Add one Ba atom at the Cartesian coordinate [0.245 6.185 3.989] to the cif file. | data_image0
_chemical_formula_structural Ca2Mg5Si8O22F2
_chemical_formula_sum "Ca2 Mg5 Si8 O22 F2"
_cell_length_a 10.37304326
_cell_length_b 10.373043260000001
_cell_length_c 5.32796317
_cell_angle_alpha 83.13018931
_cell_angle_beta 83.13018931
_cell_angle_gamma 122.768936... | data_image0
_chemical_formula_structural Ca2Mg5Si8O22F2Ba
_chemical_formula_sum "Ca2 Mg5 Si8 O22 F2 Ba1"
_cell_length_a 10.37304326
_cell_length_b 10.373043260000001
_cell_length_c 5.32796317
_cell_angle_alpha 83.13018931
_cell_angle_beta 83.13018931
_cell_angle_gamma 122.... |
AddAtomAction | 1e7c0117-9120-4222-913a-44fe3a7e7337 | mp-1045681 | Add one V atom at the Cartesian coordinate [10.772 7.276 6.663] to the cif file. | data_image0
_chemical_formula_structural Mg8Sb8As16Se8O56
_chemical_formula_sum "Mg8 Sb8 As16 Se8 O56"
_cell_length_a 10.63966254
_cell_length_b 13.52879227
_cell_length_c 13.52471817
_cell_angle_alpha 81.13835569
_cell_angle_beta 66.83762353
_cell_angle_gamma 66.830633739... | data_image0
_chemical_formula_structural Mg8Sb8As16Se8O56V
_chemical_formula_sum "Mg8 Sb8 As16 Se8 O56 V1"
_cell_length_a 10.63966254
_cell_length_b 13.52879227
_cell_length_c 13.52471817
_cell_angle_alpha 81.13835569
_cell_angle_beta 66.83762353
_cell_angle_gamma 66.83063... |
AddAtomAction | a455e39b-db8f-47b5-ac14-a55282108df2 | mp-778762 | Add one Mg atom at the Cartesian coordinate [3.801 7.577 0.782] to the cif file. | data_image0
_chemical_formula_structural Li6Mn12B12O36
_chemical_formula_sum "Li6 Mn12 B12 O36"
_cell_length_a 5.25285507
_cell_length_b 13.93360167
_cell_length_c 11.595015219999999
_cell_angle_alpha 66.23360605
_cell_angle_beta 77.71884092000002
_cell_angle_gamma 90.8892... | data_image0
_chemical_formula_structural Li6Mn12B12O36Mg
_chemical_formula_sum "Li6 Mn12 B12 O36 Mg1"
_cell_length_a 5.25285507
_cell_length_b 13.93360167
_cell_length_c 11.595015219999999
_cell_angle_alpha 66.23360605
_cell_angle_beta 77.71884092000002
_cell_angle_gamma 9... |
AddAtomAction | 06806321-b69c-42be-bbf3-7de3bc7e79ef | mp-1444506 | Add one Ga atom at the Cartesian coordinate [1.563 0.898 2.289] to the cif file. | data_image0
_chemical_formula_structural Li3Mn2Co2O8
_chemical_formula_sum "Li3 Mn2 Co2 O8"
_cell_length_a 5.794801
_cell_length_b 5.809732470000001
_cell_length_c 5.85429586
_cell_angle_alpha 119.54427468
_cell_angle_beta 90.964218
_cell_angle_gamma 118.07145026
_space_g... | data_image0
_chemical_formula_structural Li3Mn2Co2O8Ga
_chemical_formula_sum "Li3 Mn2 Co2 O8 Ga1"
_cell_length_a 5.794801
_cell_length_b 5.809732470000001
_cell_length_c 5.85429586
_cell_angle_alpha 119.54427468
_cell_angle_beta 90.964218
_cell_angle_gamma 118.07145026
_s... |
AddAtomAction | 6a35dd2f-b0ad-4f85-b6ec-2c860d9b2748 | mp-556361 | Add one Lv atom at the Cartesian coordinate [1.706 5.892 6.327] to the cif file. | data_image0
_chemical_formula_structural Sr4V8Zn4O28
_chemical_formula_sum "Sr4 V8 Zn4 O28"
_cell_length_a 6.772833
_cell_length_b 7.597328
_cell_length_c 13.62432438
_cell_angle_alpha 62.3745401
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Sr4V8Zn4O28Lv
_chemical_formula_sum "Sr4 V8 Zn4 O28 Lv1"
_cell_length_a 6.772833
_cell_length_b 7.597328
_cell_length_c 13.62432438
_cell_angle_alpha 62.3745401
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
AddAtomAction | 60199f09-47ac-4150-a3bd-f7b7bb959c83 | mp-1175713 | Add one Ta atom at the Cartesian coordinate [8.131 5.929 6.06 ] to the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.828364
_cell_length_b 6.61889684
_cell_length_c 7.80486759
_cell_angle_alpha 86.24410053000001
_cell_angle_beta 79.4213138
_cell_angle_gamma 77.28227324
_space_g... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Ta
_chemical_formula_sum "Li9 Mn2 Co5 O16 Ta1"
_cell_length_a 5.828364
_cell_length_b 6.61889684
_cell_length_c 7.80486759
_cell_angle_alpha 86.24410053000001
_cell_angle_beta 79.4213138
_cell_angle_gamma 77.28227324
_s... |
AddAtomAction | 6b57f9cf-54cf-49a9-bbe2-9f4df5c432b7 | mp-1028157 | Add one Md atom at the Cartesian coordinate [4.12 1.58 6.499] 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 Mg14MnCuMd
_chemical_formula_sum "Mg14 Mn1 Cu1 Md1"
_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 | b22e0459-7b74-4f74-9996-2c032836bd2a | mp-1190549 | Add one Sb atom at the Cartesian coordinate [-0.455 7.736 3.845] to the cif file. | data_image0
_chemical_formula_structural Ge8O16
_chemical_formula_sum "Ge8 O16"
_cell_length_a 7.54141785
_cell_length_b 7.54141785
_cell_length_c 7.35979191
_cell_angle_alpha 76.83898799
_cell_angle_beta 76.83898799
_cell_angle_gamma 121.50693674999998
_space_group_name_... | data_image0
_chemical_formula_structural Ge8O16Sb
_chemical_formula_sum "Ge8 O16 Sb1"
_cell_length_a 7.54141785
_cell_length_b 7.54141785
_cell_length_c 7.35979191
_cell_angle_alpha 76.83898799
_cell_angle_beta 76.83898799
_cell_angle_gamma 121.50693674999998
_space_group... |
AddAtomAction | 2789d1b0-1e46-433e-8e06-197b44faa63f | mp-1304002 | Add one Ce atom at the Cartesian coordinate [6.308 9.156 0.143] to the cif file. | data_image0
_chemical_formula_structural Li8Ni6Bi2O16
_chemical_formula_sum "Li8 Ni6 Bi2 O16"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
_spac... | data_image0
_chemical_formula_structural Li8Ni6Bi2O16Ce
_chemical_formula_sum "Li8 Ni6 Bi2 O16 Ce1"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
... |
AddAtomAction | 8c183f8c-450b-4ee0-b7f3-9df82e4cc6f6 | mp-1239179 | Add one K atom at the Cartesian coordinate [9.853 2.682 3.349] to the cif file. | data_image0
_chemical_formula_structural Ta2Cr6Cu4S16
_chemical_formula_sum "Ta2 Cr6 Cu4 S16"
_cell_length_a 11.43266811
_cell_length_b 3.424343
_cell_length_c 12.008144939999998
_cell_angle_alpha 90.0
_cell_angle_beta 89.45799247
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Ta2Cr6Cu4S16K
_chemical_formula_sum "Ta2 Cr6 Cu4 S16 K1"
_cell_length_a 11.43266811
_cell_length_b 3.424343
_cell_length_c 12.008144939999998
_cell_angle_alpha 90.0
_cell_angle_beta 89.45799247
_cell_angle_gamma 90.0
_space_group_n... |
AddAtomAction | 297345df-5824-4abf-8fcc-ecdf33f56c90 | mp-1173233 | Add one Ts atom at the Cartesian coordinate [ 0.816 -0.291 6.794] to the cif file. | data_image0
_chemical_formula_structural Sr3LaCu2Bi4O12
_chemical_formula_sum "Sr3 La1 Cu2 Bi4 O12"
_cell_length_a 4.56366946
_cell_length_b 4.88141223
_cell_length_c 16.208894570000002
_cell_angle_alpha 97.10350344
_cell_angle_beta 89.48129333000001
_cell_angle_gamma 89.7... | data_image0
_chemical_formula_structural Sr3LaCu2Bi4O12Ts
_chemical_formula_sum "Sr3 La1 Cu2 Bi4 O12 Ts1"
_cell_length_a 4.56366946
_cell_length_b 4.88141223
_cell_length_c 16.208894570000002
_cell_angle_alpha 97.10350344
_cell_angle_beta 89.48129333000001
_cell_angle_gamma ... |
AddAtomAction | e33bf7b2-0cea-4f11-ba96-8b3774e14478 | mp-1195660 | Add one Hf atom at the Cartesian coordinate [3.367 1.39 4.67 ] to the cif file. | data_image0
_chemical_formula_structural Ba8Ga2B20H14O48
_chemical_formula_sum "Ba8 Ga2 B20 H14 O48"
_cell_length_a 7.11976946
_cell_length_b 7.11976946
_cell_length_c 22.965198059999995
_cell_angle_alpha 86.9106116
_cell_angle_beta 86.9106116
_cell_angle_gamma 120.1933492... | data_image0
_chemical_formula_structural Ba8Ga2B20H14O48Hf
_chemical_formula_sum "Ba8 Ga2 B20 H14 O48 Hf1"
_cell_length_a 7.11976946
_cell_length_b 7.11976946
_cell_length_c 22.965198059999995
_cell_angle_alpha 86.9106116
_cell_angle_beta 86.9106116
_cell_angle_gamma 120.1... |
AddAtomAction | 68546145-7ddb-4153-98ea-32f377f13bc9 | mp-1100732 | Add one Pt atom at the Cartesian coordinate [ 1.362 4.636 14.621] to the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 2.900659
_cell_length_b 5.162968
_cell_length_c 19.52455185
_cell_angle_alpha 84.59949490000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Pt
_chemical_formula_sum "Li9 Mn2 Co5 O16 Pt1"
_cell_length_a 2.900659
_cell_length_b 5.162968
_cell_length_c 19.52455185
_cell_angle_alpha 84.59949490000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
AddAtomAction | 8eb2282e-ed07-43b8-b1d9-f6d2a6d0ef1b | mp-1189263 | Add one In atom at the Cartesian coordinate [0.03 1.92 5.729] to the cif file. | data_image0
_chemical_formula_structural Pd2N4O12
_chemical_formula_sum "Pd2 N4 O12"
_cell_length_a 4.909907
_cell_length_b 6.199307
_cell_length_c 8.2597514
_cell_angle_alpha 90.0
_cell_angle_beta 107.00392722000001
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Pd2N4O12In
_chemical_formula_sum "Pd2 N4 O12 In1"
_cell_length_a 4.909907
_cell_length_b 6.199307
_cell_length_c 8.2597514
_cell_angle_alpha 90.0
_cell_angle_beta 107.00392722000001
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | d00e7724-0bda-4185-b207-b6d5e0be1a62 | mp-1113414 | Add one Fl atom at the Cartesian coordinate [11.812 5.632 3.935] to the cif file. | data_image0
_chemical_formula_structural Cs2InAuI6
_chemical_formula_sum "Cs2 In1 Au1 I6"
_cell_length_a 8.47478367
_cell_length_b 8.47478367
_cell_length_c 8.47478367
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Cs2InAuI6Fl
_chemical_formula_sum "Cs2 In1 Au1 I6 Fl1"
_cell_length_a 8.47478367
_cell_length_b 8.47478367
_cell_length_c 8.47478367
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999... |
AddAtomAction | 82a2b67f-1fea-4750-8cc1-bf617da497fc | mp-567194 | Add one Mo atom at the Cartesian coordinate [5.257 7.692 6.097] to the cif file. | data_image0
_chemical_formula_structural Mn8Nb36Ge32
_chemical_formula_sum "Mn8 Nb36 Ge32"
_cell_length_a 5.336457
_cell_length_b 14.002561
_cell_length_c 16.848987
_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 Mn8Nb36Ge32Mo
_chemical_formula_sum "Mn8 Nb36 Ge32 Mo1"
_cell_length_a 5.336457
_cell_length_b 14.002561
_cell_length_c 16.848987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
AddAtomAction | ff044870-9e65-4cb0-8874-6dedbfbc9aa0 | mp-758705 | Add one Fm atom at the Cartesian coordinate [ 6.488 10.523 7.901] to the cif file. | data_image0
_chemical_formula_structural Li4Fe8B8O24
_chemical_formula_sum "Li4 Fe8 B8 O24"
_cell_length_a 5.24061526
_cell_length_b 9.15571646
_cell_length_c 11.324805590000002
_cell_angle_alpha 66.50654905
_cell_angle_beta 77.06653165
_cell_angle_gamma 89.07226698
_spac... | data_image0
_chemical_formula_structural Li4Fe8B8O24Fm
_chemical_formula_sum "Li4 Fe8 B8 O24 Fm1"
_cell_length_a 5.24061526
_cell_length_b 9.15571646
_cell_length_c 11.324805590000002
_cell_angle_alpha 66.50654905
_cell_angle_beta 77.06653165
_cell_angle_gamma 89.07226698
... |
AddAtomAction | e0fb6e1a-c609-4337-b4a6-e69a66215975 | mp-1221029 | Add one Mo atom at the Cartesian coordinate [1.31 1.557 1.022] to the cif file. | data_image0
_chemical_formula_structural NaPr9Ge6O26
_chemical_formula_sum "Na1 Pr9 Ge6 O26"
_cell_length_a 9.90787573
_cell_length_b 9.90787573
_cell_length_c 7.246707
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999818999999
_space_group_name_H-M... | data_image0
_chemical_formula_structural NaPr9Ge6O26Mo
_chemical_formula_sum "Na1 Pr9 Ge6 O26 Mo1"
_cell_length_a 9.90787573
_cell_length_b 9.90787573
_cell_length_c 7.246707
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999818999999
_space_group_na... |
AddAtomAction | 7b3a2a60-8f29-40e0-bcbc-59c22d8c77ce | mp-608522 | Add one Si atom at the Cartesian coordinate [7.086 5.153 5.9 ] to the cif file. | data_image0
_chemical_formula_structural Sb4Mo20O62
_chemical_formula_sum "Sb4 Mo20 O62"
_cell_length_a 7.40808
_cell_length_b 8.194364
_cell_length_c 20.430667
_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 Sb4Mo20O62Si
_chemical_formula_sum "Sb4 Mo20 O62 Si1"
_cell_length_a 7.40808
_cell_length_b 8.194364
_cell_length_c 20.430667
_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 | 7a4e3c6d-e43e-48bf-9862-419a7f249c50 | mp-607816 | Add one Au atom at the Cartesian coordinate [3.997 0.954 6.303] to the cif file. | data_image0
_chemical_formula_structural U4Fe4Ge4
_chemical_formula_sum "U4 Fe4 Ge4"
_cell_length_a 4.40635433
_cell_length_b 7.0081811
_cell_length_c 6.93964082
_cell_angle_alpha 94.07646617999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural U4Fe4Ge4Au
_chemical_formula_sum "U4 Fe4 Ge4 Au1"
_cell_length_a 4.40635433
_cell_length_b 7.0081811
_cell_length_c 6.93964082
_cell_angle_alpha 94.07646617999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
AddAtomAction | db533490-8a74-4621-b288-56aef7dac328 | mp-698712 | Add one Rf atom at the Cartesian coordinate [5.537 5.663 8.79 ] to the cif file. | data_image0
_chemical_formula_structural Sr5La3Mn8O20F4
_chemical_formula_sum "Sr5 La3 Mn8 O20 F4"
_cell_length_a 5.628558
_cell_length_b 5.6895292
_cell_length_c 15.559255630000001
_cell_angle_alpha 89.88712299
_cell_angle_beta 89.93328182
_cell_angle_gamma 89.81643661
_... | data_image0
_chemical_formula_structural Sr5La3Mn8O20F4Rf
_chemical_formula_sum "Sr5 La3 Mn8 O20 F4 Rf1"
_cell_length_a 5.628558
_cell_length_b 5.6895292
_cell_length_c 15.559255630000001
_cell_angle_alpha 89.88712299
_cell_angle_beta 89.93328182
_cell_angle_gamma 89.81643... |
AddAtomAction | 46b31b9a-478a-4569-bf0e-1ee63a604151 | mp-1044670 | Add one Hs atom at the Cartesian coordinate [3.264 2.812 0.257] to the cif file. | data_image0
_chemical_formula_structural Zn2Ag4O8
_chemical_formula_sum "Zn2 Ag4 O8"
_cell_length_a 6.30584419
_cell_length_b 6.30584419
_cell_length_c 6.30584436
_cell_angle_alpha 61.36555054000001
_cell_angle_beta 61.36555054000001
_cell_angle_gamma 61.36555237
_space_g... | data_image0
_chemical_formula_structural Zn2Ag4O8Hs
_chemical_formula_sum "Zn2 Ag4 O8 Hs1"
_cell_length_a 6.30584419
_cell_length_b 6.30584419
_cell_length_c 6.30584436
_cell_angle_alpha 61.36555054000001
_cell_angle_beta 61.36555054000001
_cell_angle_gamma 61.36555237
_s... |
AddAtomAction | 9cf91e5d-8bbe-47ba-ac13-4369cc353765 | mp-773817 | Add one Cf atom at the Cartesian coordinate [2.851 1.419 3.873] to the cif file. | data_image0
_chemical_formula_structural Sn16N16O8
_chemical_formula_sum "Sn16 N16 O8"
_cell_length_a 8.836539
_cell_length_b 8.83747851
_cell_length_c 8.8470165
_cell_angle_alpha 109.45200518
_cell_angle_beta 109.40988055999999
_cell_angle_gamma 109.39716906
_space_group... | data_image0
_chemical_formula_structural Sn16N16O8Cf
_chemical_formula_sum "Sn16 N16 O8 Cf1"
_cell_length_a 8.836539
_cell_length_b 8.83747851
_cell_length_c 8.8470165
_cell_angle_alpha 109.45200518
_cell_angle_beta 109.40988055999999
_cell_angle_gamma 109.39716906
_space... |
AddAtomAction | 75bccdb4-4dad-4682-8010-17d1e8d06ae5 | mp-569606 | Add one Lr atom at the Cartesian coordinate [1.391 5.446 4.936] to the cif file. | data_image0
_chemical_formula_structural Nd6Mn2Bi10
_chemical_formula_sum "Nd6 Mn2 Bi10"
_cell_length_a 9.67833614
_cell_length_b 9.67833614
_cell_length_c 6.511148
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000093000001
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Nd6Mn2Bi10Lr
_chemical_formula_sum "Nd6 Mn2 Bi10 Lr1"
_cell_length_a 9.67833614
_cell_length_b 9.67833614
_cell_length_c 6.511148
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000093000001
_space_group_name_H... |
AddAtomAction | 994722a9-11d6-4513-a25c-66f473f74f8b | mp-3536 | Add one Og atom at the Cartesian coordinate [7.022 6.289 4.601] to the cif file. | data_image0
_chemical_formula_structural Mg2Al4O8
_chemical_formula_sum "Mg2 Al4 O8"
_cell_length_a 5.7136991
_cell_length_b 5.7136987
_cell_length_c 5.713699650000001
_cell_angle_alpha 60.000006019999994
_cell_angle_beta 60.00000836
_cell_angle_gamma 60.00000319999999
_s... | data_image0
_chemical_formula_structural Mg2Al4O8Og
_chemical_formula_sum "Mg2 Al4 O8 Og1"
_cell_length_a 5.7136991
_cell_length_b 5.7136987
_cell_length_c 5.713699650000001
_cell_angle_alpha 60.000006019999994
_cell_angle_beta 60.00000836
_cell_angle_gamma 60.000003199999... |
AddAtomAction | 95aa45cf-f0b0-4afd-b08a-0ae9534212b1 | mp-767370 | Add one Mg atom at the Cartesian coordinate [ 0.945 0.059 23.177] to the cif file. | data_image0
_chemical_formula_structural Li8Ti4Mn6Fe8O36
_chemical_formula_sum "Li8 Ti4 Mn6 Fe8 O36"
_cell_length_a 2.9352
_cell_length_b 8.997828
_cell_length_c 25.460821
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li8Ti4Mn6Fe8O36Mg
_chemical_formula_sum "Li8 Ti4 Mn6 Fe8 O36 Mg1"
_cell_length_a 2.9352
_cell_length_b 8.997828
_cell_length_c 25.460821
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | d998bc37-20c0-4f90-8493-6f7e619aa2a4 | mp-554704 | Add one Mc atom at the Cartesian coordinate [4.534 6.969 6.126] to the cif file. | data_image0
_chemical_formula_structural Ti4P4H4O20
_chemical_formula_sum "Ti4 P4 H4 O20"
_cell_length_a 7.16377
_cell_length_b 7.48501
_cell_length_c 7.485935499999999
_cell_angle_alpha 63.15581535999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ti4P4H4O20Mc
_chemical_formula_sum "Ti4 P4 H4 O20 Mc1"
_cell_length_a 7.16377
_cell_length_b 7.48501
_cell_length_c 7.485935499999999
_cell_angle_alpha 63.15581535999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
AddAtomAction | a54ec078-10be-4355-945a-8c621b706e64 | mp-1214440 | Add one P atom at the Cartesian coordinate [0.595 0.285 5.246] to the cif file. | data_image0
_chemical_formula_structural Ba4LiB3N6
_chemical_formula_sum "Ba4 Li1 B3 N6"
_cell_length_a 6.87450619
_cell_length_b 6.87450619
_cell_length_c 6.87450619
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... | data_image0
_chemical_formula_structural Ba4LiB3N6P
_chemical_formula_sum "Ba4 Li1 B3 N6 P1"
_cell_length_a 6.87450619
_cell_length_b 6.87450619
_cell_length_c 6.87450619
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_gr... |
AddAtomAction | 60a5f8a3-8e0c-4122-9231-2b11fce0593d | mp-758242 | Add one F atom at the Cartesian coordinate [7.784 4.39 4.292] to the cif file. | data_image0
_chemical_formula_structural Li2P6W4O24
_chemical_formula_sum "Li2 P6 W4 O24"
_cell_length_a 8.87626289
_cell_length_b 8.87626289
_cell_length_c 8.87626306
_cell_angle_alpha 59.79763145999999
_cell_angle_beta 59.79763145999999
_cell_angle_gamma 59.7976288100000... | data_image0
_chemical_formula_structural Li2P6W4O24F
_chemical_formula_sum "Li2 P6 W4 O24 F1"
_cell_length_a 8.87626289
_cell_length_b 8.87626289
_cell_length_c 8.87626306
_cell_angle_alpha 59.79763145999999
_cell_angle_beta 59.79763145999999
_cell_angle_gamma 59.797628810... |
AddAtomAction | e796173c-26bb-4fa6-ad9f-f8aac943d07f | mp-766011 | Add one Pu atom at the Cartesian coordinate [1.348 2.58 0.453] to the cif file. | data_image0
_chemical_formula_structural Li3VCrP2H2O10
_chemical_formula_sum "Li3 V1 Cr1 P2 H2 O10"
_cell_length_a 5.22824342
_cell_length_b 5.576221759999999
_cell_length_c 7.56144685
_cell_angle_alpha 108.83346223000001
_cell_angle_beta 109.69480763
_cell_angle_gamma 94.... | data_image0
_chemical_formula_structural Li3VCrP2H2O10Pu
_chemical_formula_sum "Li3 V1 Cr1 P2 H2 O10 Pu1"
_cell_length_a 5.22824342
_cell_length_b 5.576221759999999
_cell_length_c 7.56144685
_cell_angle_alpha 108.83346223000001
_cell_angle_beta 109.69480763
_cell_angle_gamma ... |
AddAtomAction | 95c05a93-bdd4-416c-9c3d-737d13d30761 | mp-1192939 | Add one Rb atom at the Cartesian coordinate [4.908 1.551 3.124] to the cif file. | data_image0
_chemical_formula_structural Sc6Co16Si7
_chemical_formula_sum "Sc6 Co16 Si7"
_cell_length_a 8.06826091
_cell_length_b 8.06826091
_cell_length_c 8.06826091
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural Sc6Co16Si7Rb
_chemical_formula_sum "Sc6 Co16 Si7 Rb1"
_cell_length_a 8.06826091
_cell_length_b 8.06826091
_cell_length_c 8.06826091
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
AddAtomAction | f62ef4cd-3662-457c-8d0e-6761652c726d | mp-1191000 | Add one Rb atom at the Cartesian coordinate [0.384 1.553 1.494] to the cif file. | data_image0
_chemical_formula_structural Eu6Si4Ni12
_chemical_formula_sum "Eu6 Si4 Ni12"
_cell_length_a 7.69921179
_cell_length_b 7.69921179
_cell_length_c 7.69921179
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... | data_image0
_chemical_formula_structural Eu6Si4Ni12Rb
_chemical_formula_sum "Eu6 Si4 Ni12 Rb1"
_cell_length_a 7.69921179
_cell_length_b 7.69921179
_cell_length_c 7.69921179
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_... |
AddAtomAction | 6a1c1441-f725-4e93-85ba-c9d3e87dbde2 | mp-767370 | Add one La atom at the Cartesian coordinate [ 0.4 7.265 21.769] to the cif file. | data_image0
_chemical_formula_structural Li8Ti4Mn6Fe8O36
_chemical_formula_sum "Li8 Ti4 Mn6 Fe8 O36"
_cell_length_a 2.9352
_cell_length_b 8.997828
_cell_length_c 25.460821
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li8Ti4Mn6Fe8O36La
_chemical_formula_sum "Li8 Ti4 Mn6 Fe8 O36 La1"
_cell_length_a 2.9352
_cell_length_b 8.997828
_cell_length_c 25.460821
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | f375bb72-d58f-4b90-9506-93fc5a527715 | mp-36100 | Add one Ts atom at the Cartesian coordinate [ 0.985 -0.091 2.582] to the cif file. | data_image0
_chemical_formula_structural Ca2Sm4S8
_chemical_formula_sum "Ca2 Sm4 S8"
_cell_length_a 7.3624864
_cell_length_b 7.362486399999999
_cell_length_c 7.3624864
_cell_angle_alpha 109.59223233
_cell_angle_beta 109.59223233
_cell_angle_gamma 109.22946738
_space_group... | data_image0
_chemical_formula_structural Ca2Sm4S8Ts
_chemical_formula_sum "Ca2 Sm4 S8 Ts1"
_cell_length_a 7.3624864
_cell_length_b 7.362486399999999
_cell_length_c 7.3624864
_cell_angle_alpha 109.59223233
_cell_angle_beta 109.59223233
_cell_angle_gamma 109.22946738
_space... |
AddAtomAction | 28619226-8fe8-4c19-99c5-268c7770129e | mp-24598 | Add one Pd atom at the Cartesian coordinate [4.364 7.542 0.573] to the cif file. | data_image0
_chemical_formula_structural Ba4V4P8H16O40
_chemical_formula_sum "Ba4 V4 P8 H16 O40"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ba4V4P8H16O40Pd
_chemical_formula_sum "Ba4 V4 P8 H16 O40 Pd1"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
AddAtomAction | 09762055-81f3-4334-a477-36757e1865b6 | mp-641191 | Add one Sg atom at the Cartesian coordinate [ 2.046 3.908 19.337] to the cif file. | data_image0
_chemical_formula_structural U8Tl8Mo12O64
_chemical_formula_sum "U8 Tl8 Mo12 O64"
_cell_length_a 8.414816
_cell_length_b 9.871656
_cell_length_c 20.405515
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural U8Tl8Mo12O64Sg
_chemical_formula_sum "U8 Tl8 Mo12 O64 Sg1"
_cell_length_a 8.414816
_cell_length_b 9.871656
_cell_length_c 20.405515
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
AddAtomAction | 0149f0b4-ac0d-4807-b7e0-8967d17d1599 | mp-1173626 | Add one Cf atom at the Cartesian coordinate [ 0.198 0.582 13.531] to the cif file. | data_image0
_chemical_formula_structural Nd4C2O10
_chemical_formula_sum "Nd4 C2 O10"
_cell_length_a 4.03349494
_cell_length_b 4.03349514
_cell_length_c 15.68822464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.82390851
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Nd4C2O10Cf
_chemical_formula_sum "Nd4 C2 O10 Cf1"
_cell_length_a 4.03349494
_cell_length_b 4.03349514
_cell_length_c 15.68822464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.82390851
_space_group_name_H-M_alt ... |
AddAtomAction | ef08a051-4ccd-47f0-af60-38430f2bbdbf | mp-1191177 | Add one Ca atom at the Cartesian coordinate [-1.728 3.133 4.241] to the cif file. | data_image0
_chemical_formula_structural Tb4Co14B6
_chemical_formula_sum "Tb4 Co14 B6"
_cell_length_a 5.03978762
_cell_length_b 5.03749468
_cell_length_c 12.725759999999998
_cell_angle_alpha 89.99993873
_cell_angle_beta 90.00011549
_cell_angle_gamma 120.0150517
_space_gro... | data_image0
_chemical_formula_structural Tb4Co14B6Ca
_chemical_formula_sum "Tb4 Co14 B6 Ca1"
_cell_length_a 5.03978762
_cell_length_b 5.03749468
_cell_length_c 12.725759999999998
_cell_angle_alpha 89.99993873
_cell_angle_beta 90.00011549
_cell_angle_gamma 120.0150517
_spa... |
AddAtomAction | 16244dd1-7763-4bb4-b074-01c108a2378b | mp-34237 | Add one Tm atom at the Cartesian coordinate [ 3.109 2.178 10.36 ] to the cif file. | data_image0
_chemical_formula_structural Mn12Cu6O24
_chemical_formula_sum "Mn12 Cu6 O24"
_cell_length_a 6.11319617
_cell_length_b 6.113196169999999
_cell_length_c 14.74257279
_cell_angle_alpha 87.05947953000002
_cell_angle_beta 87.05947953000002
_cell_angle_gamma 58.126996... | data_image0
_chemical_formula_structural Mn12Cu6O24Tm
_chemical_formula_sum "Mn12 Cu6 O24 Tm1"
_cell_length_a 6.11319617
_cell_length_b 6.113196169999999
_cell_length_c 14.74257279
_cell_angle_alpha 87.05947953000002
_cell_angle_beta 87.05947953000002
_cell_angle_gamma 58.... |
AddAtomAction | 714668ac-8b67-4666-bccb-89190bde808c | mp-1211273 | Add one Ba atom at the Cartesian coordinate [1.671 6.882 1.149] to the cif file. | data_image0
_chemical_formula_structural La4Cr4Se8O4
_chemical_formula_sum "La4 Cr4 Se8 O4"
_cell_length_a 3.898326
_cell_length_b 8.78312
_cell_length_c 11.70561
_cell_angle_alpha 90.00068837
_cell_angle_beta 89.99871699
_cell_angle_gamma 90.00050427
_space_group_name_H-... | data_image0
_chemical_formula_structural La4Cr4Se8O4Ba
_chemical_formula_sum "La4 Cr4 Se8 O4 Ba1"
_cell_length_a 3.898326
_cell_length_b 8.78312
_cell_length_c 11.70561
_cell_angle_alpha 90.00068837
_cell_angle_beta 89.99871699
_cell_angle_gamma 90.00050427
_space_group_n... |
AddAtomAction | 42dae520-544c-4717-a400-37815fc31461 | mp-2230683 | Add one Gd atom at the Cartesian coordinate [6.813 4.321 6.786] to the cif file. | data_image0
_chemical_formula_structural MgGe4Bi2O12
_chemical_formula_sum "Mg1 Ge4 Bi2 O12"
_cell_length_a 5.80941945
_cell_length_b 7.43612217
_cell_length_c 7.245667429999999
_cell_angle_alpha 86.30378382
_cell_angle_beta 78.04470993
_cell_angle_gamma 73.13947178
_spac... | data_image0
_chemical_formula_structural MgGe4Bi2O12Gd
_chemical_formula_sum "Mg1 Ge4 Bi2 O12 Gd1"
_cell_length_a 5.80941945
_cell_length_b 7.43612217
_cell_length_c 7.245667429999999
_cell_angle_alpha 86.30378382
_cell_angle_beta 78.04470993
_cell_angle_gamma 73.13947178
... |
AddAtomAction | 79452295-9e2c-4f86-adb9-c4c70ac5d9f0 | mp-1235023 | Add one Ba atom at the Cartesian coordinate [8.137 2.716 4.505] to the cif file. | data_image0
_chemical_formula_structural LiZn2Fe4O8
_chemical_formula_sum "Li1 Zn2 Fe4 O8"
_cell_length_a 6.1557658
_cell_length_b 6.155765599999999
_cell_length_c 5.91697548
_cell_angle_alpha 61.27510906
_cell_angle_beta 61.27511007999999
_cell_angle_gamma 57.266703329999... | data_image0
_chemical_formula_structural LiZn2Fe4O8Ba
_chemical_formula_sum "Li1 Zn2 Fe4 O8 Ba1"
_cell_length_a 6.1557658
_cell_length_b 6.155765599999999
_cell_length_c 5.91697548
_cell_angle_alpha 61.27510906
_cell_angle_beta 61.27511007999999
_cell_angle_gamma 57.266703... |
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