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{
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"structure_string": "Ba4 Pb1 Br1\n1.0\n-0.000000 5.046313 5.046313\n5.046313 -0.000000 5.046313\n5.046313 5.046313 -0.000000\nBa Pb Br\n4 1 1\ndirect\n0.122584 0.625805 0.625805 Ba\n0.625805 0.625805 0.625805 Ba\n0.625805 0.122584 0.625805 Ba\n0.625805 0.625805 0.122584 Ba\n0.000000 0.000000 0.000000 Pb\n0.250000 0.250000 0.250000 Br\n",
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{
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"created_at": "2022-09-04T14:35:43.271675Z",
"updated_at": "2022-09-04T14:35:43.271723Z",
"structure_string": "Ba1 Sm2 Co1 O5\n1.0\n3.589572 0.000032 -1.037396\n-0.738846 5.276313 -2.556823\n0.040435 0.024820 6.869191\nBa Sm Co O\n1 2 1 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.797048 0.297050 0.594097 Sm\n0.202952 0.702949 0.405902 Sm\n0.499996 0.500000 -0.000000 Co\n0.352715 0.596021 0.705442 O\n0.647286 0.403978 0.294558 O\n0.647283 0.890562 0.294572 O\n0.352718 0.109437 0.705427 O\n0.000003 0.500000 0.000000 O\n",
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"formula_full": "Ba1 Sm2 Co1 O5",
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"spacegroup": 71
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{
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"created_at": "2022-09-04T14:35:43.271411Z",
"updated_at": "2022-09-04T14:35:43.271439Z",
"structure_string": "Be1 Tl2 Pb1\n1.0\n-2.655558 2.655558 3.745373\n2.655558 -2.655558 3.745373\n2.655558 2.655558 -3.745373\nBe Tl Pb\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Tl\n0.250000 0.750000 0.500000 Tl\n0.750000 0.250000 0.500000 Pb\n",
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{
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"updated_at": "2022-09-04T14:35:43.271062Z",
"structure_string": "Ba4 Y1 Rh1\n1.0\n0.000000 4.938311 4.938311\n4.938311 0.000000 4.938311\n4.938311 4.938311 -0.000000\nBa Y Rh\n4 1 1\ndirect\n0.128955 0.623682 0.623682 Ba\n0.623682 0.623682 0.623682 Ba\n0.623682 0.128955 0.623682 Ba\n0.623682 0.623682 0.128955 Ba\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 Rh\n",
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{
"id": "jvasp-66093",
"created_at": "2022-09-04T14:35:43.268247Z",
"updated_at": "2022-09-04T14:35:43.268277Z",
"structure_string": "Ba8 Ti4 Ni4\n1.0\n7.939736 0.000000 -0.000000\n-0.000000 7.939736 -0.000000\n-0.000000 0.000000 7.939736\nBa Ti Ni\n8 4 4\ndirect\n0.750000 0.250000 0.250000 Ba\n0.750000 0.250000 0.750000 Ba\n0.750000 0.750000 0.750000 Ba\n0.750000 0.750000 0.250000 Ba\n0.250000 0.250000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.250000 0.750000 0.250000 Ba\n0.250000 0.750000 0.750000 Ba\n0.500000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n",
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"structure_string": "Mg6 Cr1 Si1\n1.0\n6.134066 0.038479 0.000000\n-3.033709 5.254538 0.000000\n0.000000 0.000000 4.918482\nMg Cr Si\n6 1 1\ndirect\n0.665778 0.333839 0.250000 Mg\n0.665778 0.831938 0.250000 Mg\n0.330140 0.162176 0.750000 Mg\n0.330140 0.667966 0.750000 Mg\n0.840726 0.170363 0.750000 Mg\n0.842842 0.671422 0.750000 Mg\n0.163685 0.831842 0.250000 Cr\n0.160915 0.330457 0.250000 Si\n",
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"formula_full": "Mg6 Cr1 Si1",
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{
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"created_at": "2022-09-04T14:35:43.250763Z",
"updated_at": "2022-09-04T14:35:43.250789Z",
"structure_string": "Nb1 Fe1 F6\n1.0\n4.694810 0.064441 3.157916\n1.715209 4.370749 3.157916\n0.093133 0.064441 5.657295\nNb Fe F\n1 1 6\ndirect\n0.500000 0.500000 0.500001 Nb\n0.000000 0.000000 0.000000 Fe\n0.373234 0.130419 0.748681 F\n0.748680 0.373234 0.130420 F\n0.130419 0.748680 0.373235 F\n0.626766 0.869581 0.251321 F\n0.251320 0.626766 0.869582 F\n0.869580 0.251320 0.626767 F\n",
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{
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"created_at": "2022-09-04T14:35:43.247497Z",
"updated_at": "2022-09-04T14:35:43.247524Z",
"structure_string": "Ca2 Si2 Sn2 O10\n1.0\n6.647830 -0.064934 -2.809800\n-0.044925 4.526417 3.397631\n0.028845 -4.466036 3.295044\nCa Si Sn O\n2 2 2 10\ndirect\n0.781296 0.829742 0.151371 Ca\n0.218702 0.170257 0.848628 Ca\n0.252088 0.822539 0.187002 Si\n0.747910 0.177460 0.812997 Si\n0.499999 0.499999 0.499999 Sn\n-0.000001 0.499999 0.499999 Sn\n0.248907 0.414866 0.595601 O\n0.751091 0.585133 0.404398 O\n0.073138 0.750976 0.903986 O\n0.926861 0.249023 0.096013 O\n0.403970 0.112210 0.230449 O\n0.596029 0.887789 0.769549 O\n0.627682 0.390749 0.818408 O\n0.372316 0.609250 0.181590 O\n0.865726 0.166911 0.585713 O\n0.134272 0.833088 0.414285 O\n",
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"created_at": "2022-09-04T14:35:43.244365Z",
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"structure_string": "Fe2 W2 Cl2 O8\n1.0\n5.350077 0.000000 -0.000000\n0.000000 6.730416 -0.000000\n0.000000 0.000000 6.730416\nFe W Cl O\n2 2 2 8\ndirect\n0.281944 0.250000 0.250000 Fe\n0.718056 0.750000 0.750000 Fe\n0.000000 0.250000 0.750000 W\n0.000000 0.750000 0.250000 W\n0.305135 0.750000 0.750000 Cl\n0.694865 0.250000 0.250000 Cl\n0.198499 0.250000 0.534623 O\n0.198499 0.965378 0.250000 O\n0.801501 0.034622 0.750000 O\n0.801501 0.465378 0.750000 O\n0.801501 0.750000 0.465378 O\n0.198499 0.534623 0.250000 O\n0.198499 0.250000 0.965378 O\n0.801501 0.750000 0.034622 O\n",
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