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{
"id": "jvasp-79161",
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"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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{
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"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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{
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"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",
"nsites": 8,
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"elements": [
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"density": 2.8715536424236126,
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"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
},
{
"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",
"nsites": 8,
"nelements": 3,
"elements": [
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"Al"
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"chemical_system": "Al-Ba-Mg",
"density": 2.3858573400410155,
"density_atomic": 0.03706206601689699,
"volume": 215.85412956613686,
"volume_molar": 16.248799398431924,
"formula_full": "Ba1 Mg6 Al1",
"formula_reduced": "BaMg6Al",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"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",
"nsites": 8,
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"elements": [
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"density": 2.394731754543213,
"density_atomic": 0.03924620833093325,
"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
},
{
"id": "jvasp-92900",
"created_at": "2022-09-04T14:36:21.282621Z",
"updated_at": "2022-09-04T14:36:21.282647Z",
"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,
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"volume": 200.95461406439742,
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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-92848",
"created_at": "2022-09-04T14:36:20.975538Z",
"updated_at": "2022-09-04T14:36:20.975553Z",
"structure_string": "Ba1 Mg6 Bi1\n1.0\n7.747811 -0.625787 0.000000\n-4.415853 6.396909 0.000000\n0.000000 0.000000 4.999104\nBa Mg Bi\n1 6 1\ndirect\n0.204508 0.295492 0.250000 Ba\n0.158555 0.782370 0.250000 Mg\n0.717630 0.341445 0.250000 Mg\n0.627167 0.872833 0.250000 Mg\n0.306561 0.674484 0.749999 Mg\n0.825516 0.193439 0.749999 Mg\n0.778676 0.721323 0.749999 Mg\n0.381387 0.118613 0.749999 Bi\n",
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"elements": [
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"Bi"
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"density": 3.4930909374677688,
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"volume": 233.95136097641065,
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"formula_full": "Ba1 Mg6 Bi1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
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{
"id": "jvasp-92906",
"created_at": "2022-09-04T14:36:00.553173Z",
"updated_at": "2022-09-04T14:36:00.553207Z",
"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",
"nsites": 8,
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"elements": [
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"Mg",
"C"
],
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"density": 2.3283579073983125,
"density_atomic": 0.03800334267701319,
"volume": 210.50779843213377,
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"formula_full": "Ba1 Mg6 C1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-92905",
"created_at": "2022-09-04T14:35:58.194192Z",
"updated_at": "2022-09-04T14:35:58.194213Z",
"structure_string": "Ba1 Mg6 C1\n1.0\n8.006859 0.052840 0.000000\n-3.957669 6.960563 0.000000\n0.000000 0.000000 3.467865\nBa Mg C\n1 6 1\ndirect\n0.152314 0.347686 0.250000 Ba\n0.202273 0.956170 0.250000 Mg\n0.543830 0.297726 0.250000 Mg\n0.713584 0.786416 0.250000 Mg\n0.367523 0.790436 0.750001 Mg\n0.709563 0.132477 0.750001 Mg\n0.912791 0.587208 0.750001 Mg\n0.398121 0.101879 0.750001 C\n",
"nsites": 8,
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"elements": [
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],
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"density": 2.526519474810737,
"density_atomic": 0.04123772598546394,
"volume": 193.99711814419527,
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"formula_full": "Ba1 Mg6 C1",
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{
"id": "jvasp-94242",
"created_at": "2022-09-04T14:35:47.654445Z",
"updated_at": "2022-09-04T14:35:47.654467Z",
"structure_string": "Ba1 Mg6 Co1\n1.0\n8.097855 -1.110347 0.000000\n-5.010516 6.457774 0.000000\n0.000000 0.000000 4.460337\nBa Mg Co\n1 6 1\ndirect\n0.275853 0.224147 0.750001 Ba\n0.210094 0.796659 0.250000 Mg\n0.703339 0.289905 0.250000 Mg\n0.681376 0.818622 0.250000 Mg\n0.317569 0.661271 0.750001 Mg\n0.838727 0.182429 0.750001 Mg\n0.870650 0.629347 0.750001 Mg\n0.102384 0.397615 0.250000 Co\n",
"nsites": 8,
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"formula_full": "Ba1 Mg6 Co1",
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{
"id": "jvasp-92847",
"created_at": "2022-09-04T14:36:15.823154Z",
"updated_at": "2022-09-04T14:36:15.823178Z",
"structure_string": "Ba1 Mg6 Cr1\n1.0\n7.648166 0.813731 0.000000\n-3.119370 5.402907 0.000000\n0.000000 0.000000 5.031491\nBa Mg Cr\n1 6 1\ndirect\n0.085588 0.292794 0.250000 Ba\n0.621783 0.322449 0.250000 Mg\n0.621783 0.799332 0.250000 Mg\n0.356354 0.174247 0.750000 Mg\n0.356354 0.682108 0.750000 Mg\n0.740576 0.120288 0.750000 Mg\n0.937765 0.718882 0.750000 Mg\n0.279801 0.889901 0.250000 Cr\n",
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"density": 2.521857242883576,
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"formula_full": "Ba1 Mg6 Cr1",
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{
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"created_at": "2022-09-04T14:36:19.676102Z",
"updated_at": "2022-09-04T14:36:19.676138Z",
"structure_string": "Ba1 Mg6 Cr1\n1.0\n7.679479 -0.765627 0.000000\n-4.502792 6.267810 0.000000\n0.000000 0.000000 4.948589\nBa Mg Cr\n1 6 1\ndirect\n0.212371 0.287629 0.250000 Ba\n0.172508 0.812057 0.250000 Mg\n0.687943 0.327492 0.250000 Mg\n0.618860 0.881140 0.250000 Mg\n0.303360 0.685130 0.750000 Mg\n0.814870 0.196640 0.750000 Mg\n0.804703 0.695297 0.750000 Mg\n0.385386 0.114613 0.750000 Cr\n",
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}