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{
"id": "jvasp-93213",
"created_at": "2022-09-04T14:35:54.188101Z",
"updated_at": "2022-09-04T14:35:54.188132Z",
"structure_string": "Dy1 Cr2 Si2\n1.0\n3.850118 0.000000 0.000000\n0.000000 3.850118 0.000000\n-1.925058 -1.925058 5.359804\nDy Cr Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.250000 0.750000 0.500000 Cr\n0.750000 0.250000 0.500000 Cr\n0.384485 0.384485 0.768970 Si\n0.615515 0.615515 0.231030 Si\n",
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{
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"structure_string": "Ce1 Mg6 Co1\n1.0\n6.936246 0.762040 0.000000\n-2.808177 4.863906 0.000000\n0.000000 0.000000 4.897068\nCe Mg Co\n1 6 1\ndirect\n0.117891 0.808946 0.250000 Ce\n0.617013 0.310310 0.250000 Mg\n0.617013 0.806704 0.250000 Mg\n0.346448 0.178102 0.750000 Mg\n0.346448 0.668347 0.750000 Mg\n0.937889 0.218944 0.750000 Mg\n0.795080 0.647540 0.750000 Mg\n0.222218 0.361109 0.250000 Co\n",
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{
"id": "jvasp-93210",
"created_at": "2022-09-04T14:35:44.256959Z",
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"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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"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",
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"spacegroup": 38
},
{
"id": "jvasp-93209",
"created_at": "2022-09-04T14:35:42.005075Z",
"updated_at": "2022-09-04T14:35:42.005102Z",
"structure_string": "K1 Na1 Mg6\n1.0\n7.386756 0.536134 0.000000\n-3.229073 5.592917 0.000000\n0.000000 0.000000 5.276143\nK Na Mg\n1 1 6\ndirect\n0.128688 0.314343 0.250000 K\n0.165836 0.832917 0.250000 Na\n0.649509 0.329561 0.250000 Mg\n0.649509 0.819946 0.250000 Mg\n0.389335 0.194703 0.750000 Mg\n0.389336 0.694633 0.750000 Mg\n0.787731 0.143866 0.750000 Mg\n0.840058 0.670029 0.750000 Mg\n",
"nsites": 8,
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"elements": [
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],
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"density": 1.5202142358284418,
"density_atomic": 0.03522519865014578,
"volume": 227.11014576398685,
"volume_molar": 17.096115822685583,
"formula_full": "K1 Na1 Mg6",
"formula_reduced": "KNaMg6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"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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"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",
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"spacegroup": 38
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{
"id": "jvasp-93207",
"created_at": "2022-09-04T14:36:19.956876Z",
"updated_at": "2022-09-04T14:36:19.956885Z",
"structure_string": "Li1 Mg6 C1\n1.0\n6.552425 1.162805 0.000000\n-2.269194 6.255968 0.000000\n0.000000 0.000000 3.457553\nLi Mg C\n1 6 1\ndirect\n0.150510 0.349490 0.250000 Li\n0.213730 0.964166 0.250000 Mg\n0.535834 0.286271 0.250000 Mg\n0.656678 0.843323 0.250000 Mg\n0.362574 0.586278 0.749999 Mg\n0.913723 0.137426 0.749999 Mg\n0.894425 0.605576 0.749999 Mg\n0.272532 0.227468 0.749999 C\n",
"nsites": 8,
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"elements": [
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"Mg",
"C"
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"chemical_system": "C-Li-Mg",
"density": 1.813844794407591,
"density_atomic": 0.053031270693241345,
"volume": 150.85439016303965,
"volume_molar": 11.3558296478223,
"formula_full": "Li1 Mg6 C1",
"formula_reduced": "LiMg6C",
"formula_anonymous": "ABC6",
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"spacegroup": 38
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{
"id": "jvasp-93206",
"created_at": "2022-09-04T14:36:17.259411Z",
"updated_at": "2022-09-04T14:36:17.259437Z",
"structure_string": "Mg6 Ti1 Sb1\n1.0\n6.257049 0.074857 0.000000\n-3.063696 5.456191 0.000000\n0.000000 0.000000 5.069607\nMg Ti Sb\n6 1 1\ndirect\n0.162213 0.820657 0.250000 Mg\n0.679343 0.337787 0.250000 Mg\n0.664976 0.835024 0.250000 Mg\n0.330486 0.663471 0.750001 Mg\n0.836529 0.169514 0.750001 Mg\n0.831232 0.668768 0.750001 Mg\n0.170842 0.329158 0.250000 Ti\n0.324378 0.175622 0.750001 Sb\n",
"nsites": 8,
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"elements": [
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"Ti",
"Sb"
],
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"density": 3.0064096598118035,
"density_atomic": 0.04591439634528219,
"volume": 174.23729019192515,
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"formula_full": "Mg6 Ti1 Sb1",
"formula_reduced": "Mg6TiSb",
"formula_anonymous": "ABC6",
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"spacegroup": 38
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{
"id": "jvasp-93205",
"created_at": "2022-09-04T14:36:14.633556Z",
"updated_at": "2022-09-04T14:36:14.633588Z",
"structure_string": "Li1 Mg6 W1\n1.0\n6.098512 0.000576 0.000000\n-3.048757 5.281753 0.000000\n0.000000 0.000000 4.904422\nLi Mg W\n1 6 1\ndirect\n0.083385 0.416615 0.250000 Li\n0.104594 0.927272 0.250000 Mg\n0.572727 0.395406 0.250000 Mg\n0.572739 0.927260 0.250000 Mg\n0.415272 0.582679 0.750000 Mg\n0.917321 0.084728 0.750000 Mg\n0.917318 0.582682 0.750000 Mg\n0.416641 0.083359 0.750000 W\n",
"nsites": 8,
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"elements": [
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"W"
],
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"density": 3.5380496474326213,
"density_atomic": 0.05063799578759039,
"volume": 157.98413573786272,
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"formula_full": "Li1 Mg6 W1",
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"formula_anonymous": "ABC6",
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"spacegroup": 187
},
{
"id": "jvasp-93203",
"created_at": "2022-09-04T14:36:12.228174Z",
"updated_at": "2022-09-04T14:36:12.228195Z",
"structure_string": "Mg6 Ti1 Bi1\n1.0\n6.387425 0.143862 0.000000\n-3.069125 5.315878 0.000000\n0.000000 0.000000 5.264903\nMg Ti Bi\n6 1 1\ndirect\n0.664373 0.329570 0.250000 Mg\n0.664374 0.834804 0.250000 Mg\n0.339348 0.181704 0.750000 Mg\n0.339348 0.657645 0.750000 Mg\n0.845903 0.172952 0.750000 Mg\n0.821035 0.660518 0.750000 Mg\n0.163807 0.331903 0.250000 Ti\n0.161811 0.830904 0.250000 Bi\n",
"nsites": 8,
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"elements": [
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"density": 3.6923615463690025,
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"volume": 181.0931961943065,
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"formula_full": "Mg6 Ti1 Bi1",
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{
"id": "jvasp-93202",
"created_at": "2022-09-04T14:36:08.791382Z",
"updated_at": "2022-09-04T14:36:08.791405Z",
"structure_string": "Mg6 Ti1 B1\n1.0\n6.670008 0.610803 0.000000\n-2.806033 4.860192 0.000000\n0.000000 0.000000 4.451564\nMg Ti B\n6 1 1\ndirect\n0.618702 0.310482 0.250000 Mg\n0.618702 0.808217 0.250000 Mg\n0.325781 0.160132 0.749999 Mg\n0.325781 0.665649 0.749999 Mg\n0.831778 0.165889 0.749999 Mg\n0.909258 0.704628 0.749999 Mg\n0.130270 0.315134 0.250000 Ti\n0.239731 0.869865 0.250000 B\n",
"nsites": 8,
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"density": 2.235074490297291,
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{
"id": "jvasp-93201",
"created_at": "2022-09-04T14:36:06.528283Z",
"updated_at": "2022-09-04T14:36:06.528310Z",
"structure_string": "Mg6 Ti1 Ga1\n1.0\n6.283662 -0.015895 0.000000\n-3.155597 5.433862 0.000000\n0.000000 0.000000 4.825517\nMg Ti Ga\n6 1 1\ndirect\n0.171864 0.832688 0.250000 Mg\n0.667312 0.328136 0.250000 Mg\n0.667474 0.832526 0.250000 Mg\n0.328886 0.658682 0.750000 Mg\n0.841318 0.171114 0.750000 Mg\n0.830836 0.669165 0.750000 Mg\n0.177586 0.322414 0.250000 Ti\n0.314723 0.185277 0.750000 Ga\n",
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"volume": 164.52307760235874,
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"formula_full": "Mg6 Ti1 Ga1",
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{
"id": "jvasp-93200",
"created_at": "2022-09-04T14:36:03.716094Z",
"updated_at": "2022-09-04T14:36:03.716105Z",
"structure_string": "Sr1 Li1 Mg6\n1.0\n7.202574 0.493734 0.000000\n-3.173701 5.497011 0.000000\n0.000000 0.000000 5.132612\nSr Li Mg\n1 1 6\ndirect\n0.108271 0.804134 0.250000 Sr\n0.237133 0.368566 0.250000 Li\n0.632833 0.308193 0.250000 Mg\n0.632833 0.824637 0.250000 Mg\n0.357363 0.179521 0.750000 Mg\n0.357363 0.677843 0.750000 Mg\n0.903322 0.201661 0.750000 Mg\n0.770880 0.635441 0.750000 Mg\n",
"nsites": 8,
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"elements": [
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"formula_full": "Sr1 Li1 Mg6",
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}