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{
"id": "jvasp-9182",
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{
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{
"id": "jvasp-8418",
"created_at": "2022-09-04T14:37:07.132554Z",
"updated_at": "2022-09-04T14:37:07.132582Z",
"structure_string": "Ba1 Mn1 Al1 Cu1 O5\n1.0\n3.732152 0.000000 0.000000\n0.000000 3.732152 0.000000\n0.000000 0.000000 7.757984\nBa Mn Al Cu O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.002751 Ba\n0.500000 0.500000 0.316852 Mn\n0.000000 0.000000 0.544946 Al\n0.500000 0.500000 0.732067 Cu\n0.500000 0.000000 0.378586 O\n0.000000 0.500000 0.378586 O\n0.500000 0.000000 0.694834 O\n0.000000 0.500000 0.694834 O\n0.500000 0.500000 0.068647 O\n",
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],
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"volume": 108.06063757612803,
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"formula_full": "Ba1 Mn1 Al1 Cu1 O5",
"formula_reduced": "BaMnAlCuO5",
"formula_anonymous": "ABCDE5",
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"spacegroup": 99
},
{
"id": "jvasp-17300",
"created_at": "2022-09-04T14:38:30.113578Z",
"updated_at": "2022-09-04T14:38:30.113595Z",
"structure_string": "Ba1 Mn2 As2\n1.0\n3.741071 0.000000 -1.101501\n-0.324321 3.726987 -1.101501\n0.113057 0.123322 7.287699\nBa Mn As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250001 0.750000 0.500000 Mn\n0.750000 0.250000 0.500000 Mn\n0.644802 0.644802 0.289604 As\n0.355199 0.355198 0.710397 As\n",
"nsites": 5,
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"elements": [
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"volume": 102.62819654055502,
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"formula_full": "Ba1 Mn2 As2",
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},
{
"id": "jvasp-66164",
"created_at": "2022-09-04T14:36:19.622730Z",
"updated_at": "2022-09-04T14:36:19.622758Z",
"structure_string": "Ba1 Mn1 Bi1\n1.0\n0.000000 3.928490 3.928490\n3.928490 0.000000 3.928490\n3.928490 3.928490 0.000000\nBa Mn Bi\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Bi\n",
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{
"id": "jvasp-92519",
"created_at": "2022-09-04T14:35:55.203088Z",
"updated_at": "2022-09-04T14:35:55.203123Z",
"structure_string": "Ba1 Mn2 Bi2\n1.0\n4.599884 0.000000 -0.000000\n0.000000 4.599884 -0.000000\n-2.299943 -2.299943 6.842013\nBa Mn Bi\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.750000 0.500000 Mn\n0.750000 0.250000 0.500000 Mn\n0.631079 0.631079 0.262159 Bi\n0.368921 0.368921 0.737840 Bi\n",
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"formula_full": "Ba1 Mn2 Bi2",
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{
"id": "jvasp-114537",
"created_at": "2022-09-04T14:38:42.144740Z",
"updated_at": "2022-09-04T14:38:42.144769Z",
"structure_string": "Ba1 Mn1 Br1\n1.0\n5.719877 -0.000000 -0.000000\n-2.859938 4.953559 0.000000\n0.000000 0.000000 3.580958\nBa Mn Br\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.000000 Mn\n0.333333 0.666667 0.000000 Br\n",
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"volume": 101.46196225899811,
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"formula_full": "Ba1 Mn1 Br1",
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"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"id": "jvasp-114536",
"created_at": "2022-09-04T14:38:41.059956Z",
"updated_at": "2022-09-04T14:38:41.059973Z",
"structure_string": "Ba1 Mn1 Br2\n1.0\n4.212972 0.000000 0.000000\n0.000000 4.212972 0.000000\n0.000000 0.000000 6.914732\nBa Mn Br\n1 1 2\ndirect\n0.500000 0.500000 0.600346 Ba\n0.000000 0.000000 0.966136 Mn\n0.000000 0.000000 0.374279 Br\n0.500000 0.500000 0.069238 Br\n",
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"formula_full": "Ba1 Mn1 Br2",
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"spacegroup": 99
},
{
"id": "jvasp-65692",
"created_at": "2022-09-04T14:36:19.187755Z",
"updated_at": "2022-09-04T14:36:19.187792Z",
"structure_string": "Ba1 Mn1 Br2\n1.0\n4.151949 0.000000 0.000000\n-0.000000 4.151949 0.000000\n-0.000000 -0.000000 7.261870\nBa Mn Br\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.740389 Br\n0.000000 0.000000 0.259611 Br\n",
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"spacegroup": 123
},
{
"id": "jvasp-69290",
"created_at": "2022-09-04T14:36:01.881097Z",
"updated_at": "2022-09-04T14:36:01.881123Z",
"structure_string": "Ba1 Mn1 Br2\n1.0\n4.230923 0.000000 0.000000\n0.000000 4.229973 0.000000\n0.000000 0.000000 6.867287\nBa Mn Br\n1 1 2\ndirect\n0.500000 0.500000 0.779680 Ba\n0.000000 0.000000 0.410299 Mn\n0.000000 0.000000 0.002405 Br\n0.500000 0.500000 0.307615 Br\n",
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"formula_full": "Ba1 Mn1 Br2",
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{
"id": "jvasp-69178",
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"updated_at": "2022-09-04T14:36:17.402319Z",
"structure_string": "Ba1 Mn1 Cl2\n1.0\n5.021395 0.000000 0.000000\n0.000000 5.021395 0.000000\n0.000000 0.000000 4.178994\nBa Mn Cl\n1 1 2\ndirect\n0.000000 0.000000 0.499999 Ba\n0.500000 0.500000 0.499999 Mn\n0.500000 0.000000 0.000000 Cl\n0.000000 0.500000 0.000000 Cl\n",
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{
"id": "jvasp-11755",
"created_at": "2022-09-04T14:37:07.622295Z",
"updated_at": "2022-09-04T14:37:07.622307Z",
"structure_string": "Ba2 Mn2 C2 O6 F4\n1.0\n2.477100 -4.290461 -0.000000\n2.477099 4.290462 0.000000\n-0.000000 -0.000000 9.820429\nBa Mn C O F\n2 2 2 6 4\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.250000 Mn\n0.333333 0.666667 0.750000 Mn\n0.333333 0.666667 0.250000 C\n0.666667 0.333333 0.750000 C\n0.879479 0.254785 0.750000 O\n0.254785 0.375306 0.250000 O\n0.745215 0.624695 0.750000 O\n0.120521 0.745215 0.250000 O\n0.375306 0.120521 0.750000 O\n0.624695 0.879479 0.250000 O\n0.333333 0.666667 0.540435 F\n0.666667 0.333333 0.040435 F\n0.333333 0.666667 0.959565 F\n0.666667 0.333333 0.459565 F\n",
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}