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{
"id": "mp-505767",
"created_at": "2022-09-04T14:47:00.778678Z",
"structure_string": "K8 Na4 In4 Sb8\n1.0\n7.119152 -8.321900 0.000000\n7.119152 8.321900 0.000000\n0.000000 0.000000 7.089397\nK Na In Sb\n8 4 4 8\ndirect\n0.076156 0.423844 0.250000 K\n0.423844 0.076156 0.750000 K\n0.923844 0.576156 0.750000 K\n0.576156 0.923844 0.250000 K\n0.671758 0.328242 0.220900 K\n0.828242 0.171758 0.720900 K\n0.328242 0.671758 0.779100 K\n0.171758 0.828242 0.279100 K\n0.380924 0.380924 0.000000 Na\n0.119076 0.119076 0.500000 Na\n0.619076 0.619076 0.000000 Na\n0.880924 0.880924 0.500000 Na\n0.132242 0.132242 0.000000 In\n0.367758 0.367758 0.500000 In\n0.867758 0.867758 0.000000 In\n0.632242 0.632242 0.500000 In\n0.855911 0.644088 0.250000 Sb\n0.644088 0.855911 0.750000 Sb\n0.144088 0.355911 0.750000 Sb\n0.355911 0.144088 0.250000 Sb\n0.894232 0.105768 0.206087 Sb\n0.605768 0.394232 0.706087 Sb\n0.105768 0.894232 0.793913 Sb\n0.394232 0.605768 0.293913 Sb\n",
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{
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"structure_string": "Sb1 Br6 N2\n1.0\n0.000000 5.400482 5.400482\n5.400482 0.000000 5.400482\n5.400482 5.400482 0.000000\nSb Br N\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Sb\n0.760440 0.239560 0.239560 Br\n0.239560 0.760440 0.760440 Br\n0.239560 0.760440 0.239560 Br\n0.760440 0.239560 0.760440 Br\n0.239560 0.239560 0.760440 Br\n0.760440 0.760440 0.239560 Br\n0.250000 0.250000 0.250000 N\n0.750000 0.750000 0.750000 N\n",
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"formula_full": "Sb1 Br6 N2",
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"formula_anonymous": "AB2C6",
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"updated_at": "2021-11-28T01:37:57.217000Z",
"spacegroup": 225
},
{
"id": "mp-555218",
"created_at": "2022-09-04T14:41:14.879645Z",
"structure_string": "Ba8 Br12 O2\n1.0\n5.258601 -9.108164 0.000000\n5.258601 9.108164 0.000000\n0.000000 0.000000 8.038767\nBa Br O\n8 12 2\ndirect\n0.199145 0.800855 0.000722 Ba\n0.333333 0.666667 0.418966 Ba\n0.601710 0.800855 0.000722 Ba\n0.800855 0.199145 0.500722 Ba\n0.398290 0.199145 0.500722 Ba\n0.800855 0.601710 0.500722 Ba\n0.666667 0.333333 0.918966 Ba\n0.199145 0.398290 0.000722 Ba\n0.715183 0.857592 0.392948 Br\n0.530814 0.469186 0.208453 Br\n0.142408 0.284817 0.392948 Br\n0.284817 0.142408 0.892948 Br\n0.857592 0.715183 0.892948 Br\n0.857592 0.142408 0.892948 Br\n0.061627 0.530814 0.708453 Br\n0.469186 0.938373 0.708453 Br\n0.142408 0.857592 0.392948 Br\n0.530814 0.061627 0.208453 Br\n0.469186 0.530814 0.708453 Br\n0.938373 0.469186 0.208453 Br\n0.333333 0.666667 0.100234 O\n0.666667 0.333333 0.600234 O\n",
"nsites": 22,
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"formula_full": "Ba8 Br12 O2",
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"updated_at": "2021-11-28T01:35:16.091000Z",
"spacegroup": 186
},
{
"id": "mp-21446",
"created_at": "2022-09-04T14:45:16.994994Z",
"structure_string": "Ba3 Pb9\n1.0\n9.021539 -3.719983 0.000000\n9.021539 3.719983 0.000000\n7.487624 0.000000 6.257948\nBa Pb\n3 9\ndirect\n0.782623 0.782623 0.782623 Ba\n0.217377 0.217377 0.217377 Ba\n0.000000 0.000000 0.000000 Ba\n0.297887 0.734221 0.297887 Pb\n0.734221 0.297887 0.297887 Pb\n0.297887 0.297887 0.734221 Pb\n0.500000 0.500000 0.000000 Pb\n0.500000 0.000000 0.500000 Pb\n0.000000 0.500000 0.500000 Pb\n0.702113 0.265779 0.702113 Pb\n0.702113 0.702113 0.265779 Pb\n0.265779 0.702113 0.702113 Pb\n",
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"formula_full": "Ba3 Pb9",
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"spacegroup": 166
},
{
"id": "mp-29911",
"created_at": "2022-09-04T14:47:19.331183Z",
"structure_string": "Ba12 Sb8 O4\n1.0\n5.154331 0.000000 0.000000\n0.000000 12.615640 0.000000\n0.000000 0.000000 12.919474\nBa Sb O\n12 8 4\ndirect\n0.500000 0.243646 0.758635 Ba\n0.500000 0.756354 0.241365 Ba\n0.500000 0.743646 0.741365 Ba\n0.500000 0.256354 0.258635 Ba\n0.000000 0.179949 0.982704 Ba\n0.000000 0.820051 0.017296 Ba\n0.000000 0.679949 0.517296 Ba\n0.000000 0.320051 0.482704 Ba\n0.000000 0.471149 0.828512 Ba\n0.000000 0.528851 0.171488 Ba\n0.000000 0.971149 0.671488 Ba\n0.000000 0.028851 0.328512 Ba\n0.500000 0.988465 0.887956 Sb\n0.500000 0.488465 0.612044 Sb\n0.500000 0.511535 0.387956 Sb\n0.500000 0.011535 0.112044 Sb\n0.500000 0.112393 0.521394 Sb\n0.500000 0.887607 0.478606 Sb\n0.500000 0.612393 0.978606 Sb\n0.500000 0.387607 0.021394 Sb\n0.000000 0.270475 0.805860 O\n0.000000 0.729525 0.194140 O\n0.000000 0.770475 0.694140 O\n0.000000 0.229525 0.305860 O\n",
"nsites": 24,
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],
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"formula_full": "Ba12 Sb8 O4",
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"updated_at": "2021-11-28T01:38:06.220000Z",
"spacegroup": 55
},
{
"id": "mp-902",
"created_at": "2022-09-04T14:39:18.021922Z",
"structure_string": "Ba1 Zn1\n1.0\n4.121492 0.000000 0.000000\n0.000000 4.121492 0.000000\n0.000000 0.000000 4.121492\nBa Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Zn\n",
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"updated_at": "2021-11-28T01:34:25.024000Z",
"spacegroup": 221
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{
"id": "mp-1025834",
"created_at": "2022-09-04T14:40:13.769389Z",
"structure_string": "Te2 Mo1 W2 Se4\n1.0\n1.700803 -2.945877 0.000000\n1.700803 2.945877 0.000000\n0.000000 0.000000 31.440090\nTe Mo W Se\n2 1 2 4\ndirect\n0.333333 0.666667 0.518457 Te\n0.333333 0.666667 0.638169 Te\n0.000000 0.000000 0.115656 Mo\n0.000000 0.000000 0.578324 W\n0.333333 0.666667 0.346966 W\n0.000000 0.000000 0.399567 Se\n0.333333 0.666667 0.063166 Se\n0.333333 0.666667 0.168158 Se\n0.000000 0.000000 0.294377 Se\n",
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"formula_full": "Te2 Mo1 W2 Se4",
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"spacegroup": 156
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{
"id": "mp-1029255",
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"structure_string": "Te6 Mo1 W3 Se2\n1.0\n1.748826 -3.029055 0.000000\n1.748826 3.029055 0.000000\n0.000000 0.000000 39.652716\nTe Mo W Se\n6 1 3 2\ndirect\n0.000000 0.000000 0.704001 Te\n0.333333 0.666667 0.047739 Te\n0.333333 0.666667 0.423195 Te\n0.333333 0.666667 0.140117 Te\n0.333333 0.666667 0.516119 Te\n0.000000 0.000000 0.611073 Te\n0.000000 0.000000 0.093921 Mo\n0.000000 0.000000 0.469642 W\n0.333333 0.666667 0.281796 W\n0.333333 0.666667 0.657552 W\n0.000000 0.000000 0.322733 Se\n0.000000 0.000000 0.240860 Se\n",
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{
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"structure_string": "Pr3 Dy1\n1.0\n5.192976 0.000000 0.000000\n0.000000 5.192976 0.000000\n0.000000 0.000000 5.192976\nPr Dy\n3 1\ndirect\n0.000000 0.500000 0.500000 Pr\n0.500000 0.000000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n0.000000 0.000000 0.000000 Dy\n",
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{
"id": "mp-1030104",
"created_at": "2022-09-04T14:40:58.782371Z",
"structure_string": "Te6 Mo1 W3 Se2\n1.0\n1.748919 -3.029217 0.000000\n1.748919 3.029217 0.000000\n0.000000 0.000000 39.652365\nTe Mo W Se\n6 1 3 2\ndirect\n0.000000 0.000000 0.328257 Te\n0.000000 0.000000 0.703987 Te\n0.333333 0.666667 0.047745 Te\n0.333333 0.666667 0.140103 Te\n0.000000 0.000000 0.235344 Te\n0.000000 0.000000 0.611072 Te\n0.000000 0.000000 0.093903 Mo\n0.000000 0.000000 0.469663 W\n0.333333 0.666667 0.281821 W\n0.333333 0.666667 0.657533 W\n0.333333 0.666667 0.428710 Se\n0.333333 0.666667 0.510609 Se\n",
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{
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"structure_string": "Bi4\n1.0\n4.658632 0.000000 0.000000\n0.000000 4.656154 0.000000\n0.000000 0.059357 6.456472\nBi\n4\ndirect\n0.250000 0.173683 0.236153 Bi\n0.250000 0.302467 0.734197 Bi\n0.750000 0.697533 0.265803 Bi\n0.750000 0.826317 0.763847 Bi\n",
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{
"id": "mp-1025774",
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"structure_string": "Te2 Mo2 W1 Se4\n1.0\n1.701585 -2.947232 0.000000\n1.701585 2.947232 0.000000\n0.000000 0.000000 31.417398\nTe Mo W Se\n2 2 1 4\ndirect\n0.333333 0.666667 0.059895 Te\n0.333333 0.666667 0.940105 Te\n0.333333 0.666667 0.768655 Mo\n0.333333 0.666667 0.231345 Mo\n0.666667 0.333333 0.000000 W\n0.666667 0.333333 0.716189 Se\n0.666667 0.333333 0.178827 Se\n0.666667 0.333333 0.821173 Se\n0.666667 0.333333 0.283811 Se\n",
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]
}