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"structure_string": "Ba2 Fe1 N2\n1.0\n3.933283 0.000000 -1.207391\n-0.371292 3.914924 -1.209546\n-0.000718 0.003199 7.008027\nBa Fe N\n2 1 2\ndirect\n0.861362 0.861361 0.222723 Ba\n0.138638 0.138638 0.777277 Ba\n0.500000 0.500000 0.500000 Fe\n0.366805 0.366805 0.233610 N\n0.633194 0.633194 0.766390 N\n",
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"formula_full": "Ba2 Fe1 N2",
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{
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"created_at": "2022-09-04T14:36:40.097799Z",
"updated_at": "2022-09-04T14:36:40.097823Z",
"structure_string": "Ba6 Fe2 N6\n1.0\n8.055437 -0.000000 0.000000\n-4.027718 6.976213 -0.000000\n-0.000000 -0.000000 5.621925\nBa Fe N\n6 2 6\ndirect\n0.726070 0.637207 0.749999 Ba\n0.088862 0.726069 0.250000 Ba\n0.637207 0.911137 0.250000 Ba\n0.362793 0.088863 0.749999 Ba\n0.911138 0.273930 0.749999 Ba\n0.273930 0.362793 0.250000 Ba\n0.666667 0.333333 0.250000 Fe\n0.333333 0.666667 0.749999 Fe\n0.556260 0.873162 0.749999 N\n0.683099 0.556260 0.250000 N\n0.873163 0.316901 0.250000 N\n0.126837 0.683098 0.749999 N\n0.316901 0.443740 0.749999 N\n0.443740 0.126838 0.250000 N\n",
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"formula_full": "Ba6 Fe2 N6",
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"created_at": "2022-09-04T14:36:42.342727Z",
"updated_at": "2022-09-04T14:36:42.342755Z",
"structure_string": "Ba1 Fe2 N2\n1.0\n3.346586 0.000138 -0.000011\n-1.673388 2.898150 0.000036\n-0.000023 -0.000079 6.739398\nBa Fe N\n1 2 2\ndirect\n0.000001 -0.000008 0.500003 Ba\n0.666663 0.333322 0.105396 Fe\n0.333339 0.666659 0.894602 Fe\n0.666670 0.333325 0.826820 N\n0.333332 0.666655 0.173181 N\n",
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{
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"created_at": "2022-09-04T14:35:53.630750Z",
"updated_at": "2022-09-04T14:35:53.630767Z",
"structure_string": "Ba2 Fe4 N4\n1.0\n4.298575 0.000000 4.645200\n4.298575 4.298575 0.000000\n-0.000000 -0.000000 9.290400\nBa Fe N\n2 4 4\ndirect\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.730994 0.500001 0.634504 Fe\n0.269005 0.500001 0.365497 Fe\n0.269006 0.230994 0.865497 Fe\n0.730993 0.769007 0.134504 Fe\n0.680549 0.500001 0.159725 N\n0.319449 0.500001 0.840275 N\n0.319450 0.180550 0.340275 N\n0.680549 0.819451 0.659726 N\n",
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"volume": 171.66566101331847,
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"formula_full": "Ba2 Fe4 N4",
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{
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"created_at": "2022-09-04T14:36:10.852670Z",
"updated_at": "2022-09-04T14:36:10.852698Z",
"structure_string": "Ba4 Fe1 Ni1\n1.0\n0.000000 4.806787 4.806787\n4.806787 0.000000 4.806787\n4.806787 4.806787 -0.000000\nBa Fe Ni\n4 1 1\ndirect\n0.124930 0.625024 0.625024 Ba\n0.625024 0.625024 0.625024 Ba\n0.625024 0.124930 0.625024 Ba\n0.625024 0.625024 0.124930 Ba\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Ni\n",
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"formula_full": "Ba4 Fe1 Ni1",
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{
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"created_at": "2022-09-04T14:35:49.460513Z",
"updated_at": "2022-09-04T14:35:49.460541Z",
"structure_string": "Ba1 Fe1 O3\n1.0\n3.951615 0.000000 -0.000000\n0.000000 3.951615 -0.000000\n0.000000 0.000000 3.951615\nBa Fe O\n1 1 3\ndirect\n0.499999 0.499999 0.499999 Ba\n0.000000 0.000000 0.000000 Fe\n0.499999 0.000000 0.000000 O\n0.000000 0.499999 0.000000 O\n0.000000 0.000000 0.499999 O\n",
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{
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"created_at": "2022-09-04T14:36:31.920236Z",
"updated_at": "2022-09-04T14:36:31.920263Z",
"structure_string": "Ba1 Fe1 O3\n1.0\n3.951722 -0.017134 0.017202\n0.017053 3.951722 0.017202\n-0.017283 -0.017134 3.951720\nBa Fe O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500001 0.500000 0.500000 Fe\n0.000001 0.500000 0.499999 O\n0.499998 0.500000 0.000000 O\n0.500000 0.000002 0.499999 O\n",
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{
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"created_at": "2022-09-04T14:37:09.282174Z",
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"structure_string": "Ba1 Fe4 O8\n1.0\n2.713160 -4.699332 -0.000000\n2.713160 4.699332 0.000000\n-0.000000 -0.000000 7.055817\nBa Fe O\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.256821 Fe\n0.666667 0.333333 0.256821 Fe\n0.333333 0.666667 0.743179 Fe\n0.666667 0.333333 0.743179 Fe\n0.643588 0.643588 0.304854 O\n0.000000 0.356412 0.304854 O\n0.356412 0.000000 0.304854 O\n0.356412 0.356412 0.695146 O\n0.643588 0.000000 0.695146 O\n0.000000 0.643588 0.695146 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
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{
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"structure_string": "Ba1 Fe1 Os1\n1.0\n0.000000 3.370730 3.370730\n3.370730 0.000000 3.370730\n3.370730 3.370730 0.000000\nBa Fe Os\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Os\n",
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{
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"structure_string": "Ba4 Fe1 P1\n1.0\n0.000000 4.802416 4.802416\n4.802416 0.000000 4.802416\n4.802416 4.802416 0.000000\nBa Fe P\n4 1 1\ndirect\n0.123765 0.625412 0.625412 Ba\n0.625412 0.625412 0.625412 Ba\n0.625412 0.123765 0.625412 Ba\n0.625412 0.625412 0.123765 Ba\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 P\n",
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