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{
"id": "jvasp-66100",
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"updated_at": "2022-09-04T14:35:49.646588Z",
"structure_string": "Ba4 Ir1 Br1\n1.0\n-0.000000 4.799606 4.799606\n4.799606 0.000000 4.799606\n4.799606 4.799606 -0.000000\nBa Ir Br\n4 1 1\ndirect\n0.122779 0.625741 0.625741 Ba\n0.625741 0.625741 0.625741 Ba\n0.625741 0.122779 0.625741 Ba\n0.625741 0.625741 0.122779 Ba\n0.000000 0.000000 0.000000 Ir\n0.250000 0.250000 0.250000 Br\n",
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{
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"created_at": "2022-09-04T14:38:41.153329Z",
"updated_at": "2022-09-04T14:38:41.153359Z",
"structure_string": "Ba1 Ir1 Br1\n1.0\n3.376624 -0.000000 -0.000000\n-0.000000 3.376624 0.000000\n-0.000000 0.000000 8.114909\nBa Ir Br\n1 1 1\ndirect\n0.000000 0.000000 0.317084 Ba\n0.000000 0.000000 -0.008210 Ir\n0.000000 0.000000 0.681454 Br\n",
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{
"id": "jvasp-66040",
"created_at": "2022-09-04T14:35:54.230788Z",
"updated_at": "2022-09-04T14:35:54.230812Z",
"structure_string": "Ba1 Li1 Br1\n1.0\n0.000000 4.009272 4.009272\n4.009272 0.000000 4.009272\n4.009272 4.009272 -0.000000\nBa Li Br\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
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"elements": [
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"density": 2.8880446638914408,
"density_atomic": 0.02327526831156191,
"volume": 128.8921768738434,
"volume_molar": 25.87356106657006,
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"spacegroup": 216
},
{
"id": "jvasp-66233",
"created_at": "2022-09-04T14:36:17.783316Z",
"updated_at": "2022-09-04T14:36:17.783342Z",
"structure_string": "Ba1 Mg1 Br1\n1.0\n-0.000000 4.030932 4.030932\n4.030932 0.000000 4.030932\n4.030932 4.030932 -0.000000\nBa Mg Br\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
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"elements": [
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"density": 3.061854548931423,
"density_atomic": 0.022902075574676363,
"volume": 130.9924941177474,
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"formula_full": "Ba1 Mg1 Br1",
"formula_reduced": "BaMgBr",
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"spacegroup": 216
},
{
"id": "jvasp-65611",
"created_at": "2022-09-04T14:36:14.991568Z",
"updated_at": "2022-09-04T14:36:14.991600Z",
"structure_string": "Ba2 Mn1 Br1\n1.0\n0.000000 4.125016 4.125016\n4.125016 -0.000000 4.125016\n4.125016 4.125016 -0.000000\nBa Mn Br\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Br\n",
"nsites": 4,
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"elements": [
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],
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"density": 4.843863554884223,
"density_atomic": 0.02849397791847045,
"volume": 140.38053975633596,
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"formula_full": "Ba2 Mn1 Br1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"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",
"nsites": 4,
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"Br"
],
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"density": 4.670134444846391,
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"volume": 125.18505675237564,
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"formula_full": "Ba1 Mn1 Br2",
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"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"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",
"nsites": 3,
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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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"spacegroup": 99
},
{
"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-64752",
"created_at": "2022-09-04T14:36:04.597932Z",
"updated_at": "2022-09-04T14:36:04.597953Z",
"structure_string": "Ba4 Mo1 Br1\n1.0\n0.000000 5.072560 5.072560\n5.072560 0.000000 5.072560\n5.072560 5.072560 0.000000\nBa Mo Br\n4 1 1\ndirect\n0.123762 0.625413 0.625413 Ba\n0.625413 0.625413 0.625413 Ba\n0.625413 0.123762 0.625413 Ba\n0.625413 0.625413 0.123762 Ba\n0.000000 0.000000 0.000000 Mo\n0.250000 0.250000 0.250000 Br\n",
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"spacegroup": 216
},
{
"id": "jvasp-65440",
"created_at": "2022-09-04T14:36:01.271954Z",
"updated_at": "2022-09-04T14:36:01.271982Z",
"structure_string": "Ba1 Mo2 Br1\n1.0\n3.317384 0.000000 0.000000\n0.000000 4.800529 0.000000\n0.000000 0.000000 6.383625\nBa Mo Br\n1 2 1\ndirect\n0.499999 0.500000 0.000000 Ba\n0.000000 0.000000 0.665877 Mo\n0.000000 0.000000 0.334123 Mo\n0.499999 0.500000 0.500000 Br\n",
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{
"id": "jvasp-69075",
"created_at": "2022-09-04T14:36:15.102193Z",
"updated_at": "2022-09-04T14:36:15.102207Z",
"structure_string": "Ba1 Mo1 Br2\n1.0\n5.226983 0.000000 0.000000\n0.000000 5.226983 -0.000000\n0.000000 0.000000 4.233992\nBa Mo Br\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Mo\n0.500000 0.000000 0.000000 Br\n0.000000 0.500000 0.000000 Br\n",
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}