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"id": "jvasp-69161",
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"structure_string": "Ba1 Fe1 Pt2\n1.0\n-2.333294 2.333294 3.909506\n2.333294 -2.333294 3.909506\n2.333294 2.333294 -3.909506\nBa Fe Pt\n1 1 2\ndirect\n0.250000 0.749999 0.499999 Ba\n0.749999 0.250000 0.499999 Fe\n0.000000 0.000000 0.000000 Pt\n0.500001 0.500001 0.000000 Pt\n",
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{
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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",
"nsites": 5,
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"volume": 65.36635895237838,
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"formula_full": "Ba1 Fe2 N2",
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{
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"created_at": "2022-09-04T14:36:50.760854Z",
"updated_at": "2022-09-04T14:36:50.760883Z",
"structure_string": "Ba1 Fe2 P2\n1.0\n3.672589 -0.000000 -1.083069\n-0.319403 3.658674 -1.083069\n-0.009131 -0.009963 6.737280\nBa Fe P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250001 0.750000 0.500000 Fe\n0.750001 0.250000 0.500000 Fe\n0.660727 0.660726 0.321454 P\n0.339274 0.339274 0.678546 P\n",
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{
"id": "jvasp-18452",
"created_at": "2022-09-04T14:36:42.387443Z",
"updated_at": "2022-09-04T14:36:42.387462Z",
"structure_string": "Ba1 Fe2 S4\n1.0\n4.559477 -0.000000 2.222141\n2.279738 5.322863 1.111071\n-0.052240 -0.000000 5.895915\nBa Fe S\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750001 0.500000 0.500000 Fe\n0.250000 0.500000 0.500000 Fe\n0.388417 0.413655 0.809512 S\n0.197928 0.190489 0.413655 S\n0.802073 0.809511 0.586345 S\n0.611584 0.586345 0.190489 S\n",
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{
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"created_at": "2022-09-04T14:35:49.251920Z",
"updated_at": "2022-09-04T14:35:49.251950Z",
"structure_string": "Ba1 Fe2 S4\n1.0\n4.592651 0.170508 2.427811\n2.135000 5.620024 1.131933\n-0.290983 0.082239 6.110051\nBa Fe S\n1 2 4\ndirect\n0.750000 -0.000047 0.000047 Ba\n0.250000 0.499940 0.500060 Fe\n0.750000 0.500058 0.499942 Fe\n0.154059 0.500020 0.192120 S\n0.345941 0.807880 0.499979 S\n0.654069 0.192133 0.499983 S\n0.845931 0.500016 0.807867 S\n",
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{
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"created_at": "2022-09-04T14:35:49.705871Z",
"updated_at": "2022-09-04T14:35:49.705887Z",
"structure_string": "Ba1 Fe2 S4\n1.0\n5.072555 0.019576 0.017261\n2.514560 5.333228 0.007152\n2.517406 0.010753 5.332671\nBa Fe S\n1 2 4\ndirect\n0.985678 -0.000004 -0.000006 Ba\n0.235879 0.500015 0.500010 Fe\n0.735892 0.499993 0.499993 Fe\n0.183640 0.413824 0.190534 S\n0.374283 0.809487 0.413850 S\n0.597501 0.190513 0.586146 S\n0.788133 0.586174 0.809471 S\n",
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"formula_full": "Ba1 Fe2 S4",
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"spacegroup": 87
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{
"id": "jvasp-94838",
"created_at": "2022-09-04T14:35:57.994673Z",
"updated_at": "2022-09-04T14:35:57.994693Z",
"structure_string": "Ba1 Fe2 Se4\n1.0\n0.000000 -0.000000 -5.249116\n-3.958415 3.958416 -2.624558\n3.958416 3.958415 -2.624558\nBa Fe Se\n1 2 4\ndirect\n0.500000 0.000000 0.000000 Ba\n0.750001 0.499999 0.500001 Fe\n0.250001 0.499999 0.500001 Fe\n0.297461 0.819000 0.586080 Se\n0.702541 0.180998 0.413921 Se\n0.883540 0.413920 0.819001 Se\n0.116461 0.586079 0.181000 Se\n",
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{
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"created_at": "2022-09-04T14:37:09.282174Z",
"updated_at": "2022-09-04T14:37:09.282200Z",
"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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{
"id": "jvasp-66489",
"created_at": "2022-09-04T14:35:47.830729Z",
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"structure_string": "Ba1 Ga1 Bi1\n1.0\n0.000000 3.938768 3.938768\n3.938768 -0.000000 3.938768\n3.938768 3.938768 0.000000\nBa Ga Bi\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Bi\n",
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{
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"structure_string": "Ba1 Ga1 Bi2\n1.0\n4.287354 0.000000 0.000000\n0.000000 4.287312 0.000000\n0.000000 0.000000 7.241495\nBa Ga Bi\n1 1 2\ndirect\n0.500000 0.500000 0.744291 Ba\n0.000000 0.000000 0.452265 Ga\n0.000000 0.000000 0.048783 Bi\n0.500000 0.500000 0.254664 Bi\n",
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