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{
"id": "jvasp-92906",
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"structure_string": "Ba1 Mg6 C1\n1.0\n10.330956 2.657858 0.000000\n-2.863706 4.960084 0.000000\n0.000000 0.000000 3.576796\nBa Mg C\n1 6 1\ndirect\n0.073939 0.286969 0.250000 Ba\n0.585514 0.290469 0.250000 Mg\n0.585514 0.795044 0.250000 Mg\n0.356986 0.159148 0.750001 Mg\n0.356986 0.697839 0.750001 Mg\n0.782363 0.141183 0.750001 Mg\n0.847867 0.673933 0.750001 Mg\n0.410831 0.955415 0.250000 C\n",
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"structure_string": "Ba1 Mg6 B1\n1.0\n8.611170 -1.380198 0.000000\n-5.500871 6.767394 0.000000\n0.000000 0.000000 3.964940\nBa Mg B\n1 6 1\ndirect\n0.224617 0.275383 0.250000 Ba\n0.184913 0.858906 0.250000 Mg\n0.641093 0.315086 0.250000 Mg\n0.647519 0.852480 0.250000 Mg\n0.290452 0.703801 0.750000 Mg\n0.796198 0.209547 0.750000 Mg\n0.803481 0.696518 0.750000 Mg\n0.411723 0.088277 0.750000 B\n",
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"density": 2.4291323222558048,
"density_atomic": 0.03980998414615322,
"volume": 200.95461406439742,
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"formula_full": "Ba1 Mg6 B1",
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"spacegroup": 38
},
{
"id": "jvasp-92853",
"created_at": "2022-09-04T14:35:49.646451Z",
"updated_at": "2022-09-04T14:35:49.646471Z",
"structure_string": "Ba1 Mg6 B1\n1.0\n7.963603 1.163195 0.000000\n-2.974445 5.151890 0.000000\n0.000000 0.000000 4.581995\nBa Mg B\n1 6 1\ndirect\n0.087628 0.293814 0.250000 Ba\n0.611892 0.316174 0.250000 Mg\n0.611892 0.795718 0.250000 Mg\n0.345027 0.154417 0.750001 Mg\n0.345027 0.690611 0.750001 Mg\n0.748128 0.124064 0.750001 Mg\n0.883219 0.691611 0.750001 Mg\n0.367181 0.933591 0.250000 B\n",
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"volume": 203.8413477435099,
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"formula_full": "Ba1 Mg6 B1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
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{
"id": "jvasp-94749",
"created_at": "2022-09-04T14:36:20.099034Z",
"updated_at": "2022-09-04T14:36:20.099047Z",
"structure_string": "Ba1 Mg6 Al1\n1.0\n6.689723 0.763047 0.000000\n-2.684044 6.174993 0.000000\n0.000000 0.000000 4.978525\nBa Mg Al\n1 6 1\ndirect\n0.382875 0.117126 0.749999 Ba\n0.099881 0.787805 0.250000 Mg\n0.712194 0.400119 0.250000 Mg\n0.631621 0.868379 0.250000 Mg\n0.290115 0.593189 0.749999 Mg\n0.906811 0.209886 0.749999 Mg\n0.807395 0.692605 0.749999 Mg\n0.169107 0.330893 0.250000 Al\n",
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"density": 2.3858573400410155,
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"formula_full": "Ba1 Mg6 Al1",
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"spacegroup": 38
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{
"id": "jvasp-91525",
"created_at": "2022-09-04T14:37:51.567853Z",
"updated_at": "2022-09-04T14:37:51.567875Z",
"structure_string": "Ba1 Mg4 Si3\n1.0\n4.625458 0.000000 0.000000\n0.000000 4.625458 0.000000\n0.000000 0.000000 8.616795\nBa Mg Si\n1 4 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.000000 0.682197 Mg\n0.000000 0.500000 0.682197 Mg\n0.500000 0.000000 0.317803 Mg\n0.000000 0.500000 0.317803 Mg\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 0.856647 Si\n0.500000 0.500000 0.143353 Si\n",
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"elements": [
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],
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"density": 2.8715536424236126,
"density_atomic": 0.043394505369086,
"volume": 184.3551374063859,
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"formula_full": "Ba1 Mg4 Si3",
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"formula_anonymous": "AB3C4",
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"spacegroup": 123
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{
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"created_at": "2022-09-04T14:36:14.073188Z",
"updated_at": "2022-09-04T14:36:14.073208Z",
"structure_string": "Ba1 Mg4 Ge3\n1.0\n4.642175 0.000000 -0.000000\n-0.000000 4.642175 -0.000000\n0.000000 -0.000000 8.772967\nBa Mg Ge\n1 4 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500001 0.000000 0.680215 Mg\n0.000000 0.500001 0.680215 Mg\n0.500001 0.000000 0.319785 Mg\n0.000000 0.500001 0.319785 Mg\n0.000000 0.000000 0.500000 Ge\n0.500001 0.500001 0.850717 Ge\n0.500001 0.500001 0.149283 Ge\n",
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"Ge"
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"density": 3.974170497499002,
"density_atomic": 0.042315597201031604,
"volume": 189.055585390745,
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"formula_full": "Ba1 Mg4 Ge3",
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"spacegroup": 123
},
{
"id": "jvasp-79161",
"created_at": "2022-09-04T14:37:51.025384Z",
"updated_at": "2022-09-04T14:37:51.025409Z",
"structure_string": "Ba1 Mg3\n1.0\n7.792357 0.380249 0.000000\n-1.783436 3.089003 0.000000\n0.000000 0.000000 5.221300\nBa Mg\n1 3\ndirect\n0.153760 0.653760 0.250000 Ba\n0.655809 0.655808 0.250000 Mg\n0.409839 0.409839 0.750000 Mg\n0.780591 0.280591 0.750000 Mg\n",
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"elements": [
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},
{
"id": "jvasp-65322",
"created_at": "2022-09-04T14:36:13.339080Z",
"updated_at": "2022-09-04T14:36:13.339106Z",
"structure_string": "Ba1 Mg2 Ta1\n1.0\n3.368233 -4.742964 0.000000\n3.368233 4.742964 0.000000\n0.000000 0.000000 3.082711\nBa Mg Ta\n1 2 1\ndirect\n-0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 -0.000000 0.500000 Ta\n",
"nsites": 4,
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"formula_full": "Ba1 Mg2 Ta1",
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"spacegroup": 65
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{
"id": "jvasp-15975",
"created_at": "2022-09-04T14:36:55.073344Z",
"updated_at": "2022-09-04T14:36:55.073364Z",
"structure_string": "Ba1 Mg2 Si2\n1.0\n4.344611 0.000000 -1.679979\n-0.649616 4.295771 -1.679979\n-0.000985 -0.001145 6.455264\nBa Mg Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250001 0.500000 Mg\n0.250000 0.750000 0.500000 Mg\n0.612763 0.612764 0.225526 Si\n0.387237 0.387237 0.774473 Si\n",
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{
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"updated_at": "2022-09-04T14:36:40.956317Z",
"structure_string": "Ba1 Mg2 Sb2\n1.0\n2.398403 -4.154157 0.000000\n2.398403 4.154157 0.000000\n0.000000 0.000000 8.166942\nBa Mg Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666666 0.333332 0.624659 Mg\n0.333332 0.666666 0.375341 Mg\n0.666666 0.333332 0.267618 Sb\n0.333332 0.666666 0.732382 Sb\n",
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{
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"structure_string": "Ba1 Mg2 P2\n1.0\n2.188279 -3.790210 0.000000\n2.188279 3.790210 0.000000\n0.000000 0.000000 7.607476\nBa Mg P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.376574 Mg\n0.333333 0.666667 0.623427 Mg\n0.666667 0.333333 0.723233 P\n0.333333 0.666667 0.276768 P\n",
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