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{
"id": "jvasp-109063",
"created_at": "2022-09-04T14:38:17.496416Z",
"updated_at": "2022-09-04T14:38:17.496438Z",
"structure_string": "Nd2 Mg1\n1.0\n3.734732 0.195954 -6.239937\n-0.118347 3.737996 -6.239937\n-0.180136 -0.195954 7.269979\nNd Mg\n2 1\ndirect\n0.658626 0.658627 -0.000001 Nd\n0.341372 0.341373 -0.000001 Nd\n0.000000 0.000000 0.000000 Mg\n",
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{
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"created_at": "2022-09-04T14:38:11.592505Z",
"updated_at": "2022-09-04T14:38:11.592529Z",
"structure_string": "Nd2 Mg4\n1.0\n5.294735 -0.000000 3.056917\n1.764912 4.991923 3.056917\n-0.000000 -0.000000 6.113833\nNd Mg\n2 4\ndirect\n0.875001 0.874999 0.875000 Nd\n0.125000 0.125000 0.125000 Nd\n0.500000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n-0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n",
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{
"id": "jvasp-30480",
"created_at": "2022-09-04T14:37:12.291536Z",
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"structure_string": "Nd4 Mg2\n1.0\n3.815698 -0.000000 0.000000\n1.907850 8.720120 0.000000\n0.000000 0.000000 5.616354\nNd Mg\n4 2\ndirect\n0.976568 0.046864 0.000000 Nd\n0.660500 0.679001 0.000000 Nd\n0.801211 0.397581 0.500000 Nd\n0.117277 0.765445 0.500000 Nd\n0.319821 0.360355 0.000000 Mg\n0.457955 0.084089 0.500000 Mg\n",
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"elements": [
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"volume": 186.87488116008925,
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"spacegroup": 63
},
{
"id": "jvasp-92854",
"created_at": "2022-09-04T14:35:53.660504Z",
"updated_at": "2022-09-04T14:35:53.660529Z",
"structure_string": "Mg6 Nb1 W1\n1.0\n6.236664 -0.136861 0.000000\n-3.236857 5.332679 0.000000\n0.000000 0.000000 4.802721\nMg Nb W\n6 1 1\ndirect\n0.183738 0.834068 0.250000 Mg\n0.665932 0.316262 0.250000 Mg\n0.669336 0.830664 0.250000 Mg\n0.318410 0.668049 0.750000 Mg\n0.831951 0.181589 0.750000 Mg\n0.828833 0.671166 0.750000 Mg\n0.190802 0.309198 0.250000 Nb\n0.310994 0.189006 0.750000 W\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"W"
],
"chemical_system": "Mg-Nb-W",
"density": 4.452386522753697,
"density_atomic": 0.05076080848099588,
"volume": 157.6019027158538,
"volume_molar": 11.863760527483725,
"formula_full": "Mg6 Nb1 W1",
"formula_reduced": "Mg6NbW",
"formula_anonymous": "ABC6",
"energy_above_hull": 1.2370692124999998,
"spacegroup": 38
},
{
"id": "jvasp-94060",
"created_at": "2022-09-04T14:35:56.519816Z",
"updated_at": "2022-09-04T14:35:56.519837Z",
"structure_string": "Mg6 Nb1 V1\n1.0\n6.249031 0.192212 0.000000\n-2.958056 5.123502 0.000000\n0.000000 0.000000 4.964860\nMg Nb V\n6 1 1\ndirect\n0.654022 0.327574 0.250000 Mg\n0.654022 0.826447 0.250000 Mg\n0.330268 0.162636 0.750000 Mg\n0.330267 0.667632 0.750000 Mg\n0.863336 0.181669 0.750000 Mg\n0.855384 0.677692 0.750000 Mg\n0.153233 0.826616 0.250000 Nb\n0.159466 0.329732 0.250000 V\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Mg-Nb-V",
"density": 2.973261306616571,
"density_atomic": 0.0494491277301373,
"volume": 161.7824290786087,
"volume_molar": 12.178457005076233,
"formula_full": "Mg6 Nb1 V1",
"formula_reduced": "Mg6NbV",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.7263822375,
"spacegroup": 38
},
{
"id": "jvasp-93210",
"created_at": "2022-09-04T14:35:44.256959Z",
"updated_at": "2022-09-04T14:35:44.256986Z",
"structure_string": "Mg6 Ti1 Nb1\n1.0\n6.374986 -0.174371 0.000000\n-3.338503 5.433714 0.000000\n0.000000 0.000000 4.839626\nMg Ti Nb\n6 1 1\ndirect\n0.183503 0.833156 0.250000 Mg\n0.666844 0.316497 0.250000 Mg\n0.673116 0.826884 0.250000 Mg\n0.316316 0.669307 0.750001 Mg\n0.830693 0.183685 0.750001 Mg\n0.826981 0.673019 0.750001 Mg\n0.202327 0.297673 0.250000 Ti\n0.300223 0.199777 0.750001 Nb\n",
"nsites": 8,
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"elements": [
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"Nb"
],
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"density": 2.8873745763261667,
"density_atomic": 0.048535857829703266,
"volume": 164.82659126103076,
"volume_molar": 12.407611669561414,
"formula_full": "Mg6 Ti1 Nb1",
"formula_reduced": "Mg6TiNb",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.6317527541666667,
"spacegroup": 38
},
{
"id": "jvasp-93208",
"created_at": "2022-09-04T14:36:21.646840Z",
"updated_at": "2022-09-04T14:36:21.646860Z",
"structure_string": "Mg6 Ti1 Nb1\n1.0\n6.337411 0.299572 0.000000\n-2.909268 5.039000 0.000000\n0.000000 0.000000 5.001942\nMg Ti Nb\n6 1 1\ndirect\n0.650596 0.324971 0.250000 Mg\n0.650596 0.825624 0.250000 Mg\n0.332709 0.163424 0.750000 Mg\n0.332709 0.669287 0.750000 Mg\n0.863687 0.181843 0.750000 Mg\n0.862026 0.681013 0.750000 Mg\n0.155940 0.327970 0.250000 Ti\n0.151735 0.825867 0.250000 Nb\n",
"nsites": 8,
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"elements": [
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"Nb"
],
"chemical_system": "Mg-Nb-Ti",
"density": 2.9002924533464696,
"density_atomic": 0.048753003276525333,
"volume": 164.09245507654737,
"volume_molar": 12.352348276561811,
"formula_full": "Mg6 Ti1 Nb1",
"formula_reduced": "Mg6TiNb",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.6410677541666666,
"spacegroup": 38
},
{
"id": "jvasp-91897",
"created_at": "2022-09-04T14:36:19.728857Z",
"updated_at": "2022-09-04T14:36:19.728876Z",
"structure_string": "Sr1 Mg6 Nb1\n1.0\n6.318287 -1.693638 0.000000\n-4.625878 8.012255 0.000000\n0.000000 0.000000 4.522789\nSr Mg Nb\n1 6 1\ndirect\n0.249984 0.374991 0.250000 Sr\n0.750005 0.375021 0.250000 Mg\n0.750005 0.874981 0.250000 Mg\n0.250015 0.097612 0.750000 Mg\n0.250014 0.652402 0.750000 Mg\n0.695091 0.097546 0.750000 Mg\n0.804866 0.652432 0.750000 Mg\n0.250022 0.875010 0.250000 Nb\n",
"nsites": 8,
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"elements": [
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"Mg",
"Nb"
],
"chemical_system": "Mg-Nb-Sr",
"density": 2.8002775430113163,
"density_atomic": 0.041338037974091565,
"volume": 193.52635954841313,
"volume_molar": 14.568037224636425,
"formula_full": "Sr1 Mg6 Nb1",
"formula_reduced": "SrMg6Nb",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-93102",
"created_at": "2022-09-04T14:35:58.234631Z",
"updated_at": "2022-09-04T14:35:58.234660Z",
"structure_string": "Mg6 Nb1 Si1\n1.0\n6.170380 0.034352 0.000000\n-3.055440 5.360880 0.000000\n0.000000 0.000000 4.824320\nMg Nb Si\n6 1 1\ndirect\n0.168409 0.840370 0.250000 Mg\n0.659629 0.331591 0.250000 Mg\n0.667145 0.832855 0.250000 Mg\n0.328280 0.669400 0.750000 Mg\n0.830600 0.171720 0.750000 Mg\n0.831403 0.668596 0.750000 Mg\n0.320367 0.179633 0.750000 Nb\n0.194165 0.305835 0.250000 Si\n",
"nsites": 8,
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"elements": [
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"Si"
],
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"density": 2.767646217781924,
"density_atomic": 0.04997237888624178,
"volume": 160.0884364182737,
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"formula_full": "Mg6 Nb1 Si1",
"formula_reduced": "Mg6NbSi",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-93100",
"created_at": "2022-09-04T14:36:06.724991Z",
"updated_at": "2022-09-04T14:36:06.725023Z",
"structure_string": "Mg6 Nb1 Si1\n1.0\n6.149716 0.220070 0.000000\n-2.884272 4.995705 0.000000\n0.000000 0.000000 5.049085\nMg Nb Si\n6 1 1\ndirect\n0.652856 0.327058 0.250000 Mg\n0.652856 0.825796 0.250000 Mg\n0.339991 0.163111 0.749999 Mg\n0.339991 0.676880 0.749999 Mg\n0.857811 0.178906 0.749999 Mg\n0.848196 0.674097 0.749999 Mg\n0.148303 0.824150 0.250000 Nb\n0.159996 0.329997 0.250000 Si\n",
"nsites": 8,
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"elements": [
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],
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"formula_full": "Mg6 Nb1 Si1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-92859",
"created_at": "2022-09-04T14:35:58.990914Z",
"updated_at": "2022-09-04T14:35:58.990943Z",
"structure_string": "Mg6 Nb1 Sb1\n1.0\n6.196478 0.081021 0.000000\n-3.028073 5.406817 0.000000\n0.000000 0.000000 5.050616\nMg Nb Sb\n6 1 1\ndirect\n0.162174 0.822804 0.250000 Mg\n0.677197 0.337826 0.250000 Mg\n0.665018 0.834983 0.250000 Mg\n0.329828 0.660145 0.750001 Mg\n0.839856 0.170173 0.750001 Mg\n0.833135 0.666865 0.750001 Mg\n0.167941 0.332059 0.250000 Nb\n0.324858 0.175143 0.750001 Sb\n",
"nsites": 8,
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"elements": [
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"density_atomic": 0.0469343047254387,
"volume": 170.45101758296525,
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"formula_full": "Mg6 Nb1 Sb1",
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"formula_anonymous": "ABC6",
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},
{
"id": "jvasp-92858",
"created_at": "2022-09-04T14:35:56.309976Z",
"updated_at": "2022-09-04T14:35:56.310009Z",
"structure_string": "Mg6 Nb1 Sb1\n1.0\n6.243467 0.152506 0.000000\n-2.989660 5.178242 0.000000\n0.000000 0.000000 5.224658\nMg Nb Sb\n6 1 1\ndirect\n0.661878 0.328707 0.250000 Mg\n0.661878 0.833169 0.250000 Mg\n0.337381 0.180125 0.750000 Mg\n0.337381 0.657255 0.750000 Mg\n0.849567 0.174784 0.750000 Mg\n0.830605 0.665302 0.750000 Mg\n0.161356 0.330676 0.250000 Nb\n0.159957 0.829978 0.250000 Sb\n",
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]
}