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{
"id": "jvasp-71973",
"created_at": "2022-09-04T14:35:47.209021Z",
"updated_at": "2022-09-04T14:35:47.209048Z",
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{
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"structure_string": "Ba2 Ge4 Ru4\n1.0\n6.059363 0.032843 -1.443834\n-3.316032 5.071576 -1.443834\n-0.022040 -0.041008 7.164953\nBa Ge Ru\n2 4 4\ndirect\n0.874999 0.125000 0.250000 Ba\n0.125000 0.875000 0.750000 Ba\n0.197855 0.802146 0.250001 Ge\n0.552145 0.447855 0.250000 Ge\n0.802145 0.197854 0.750000 Ge\n0.447855 0.552145 0.750000 Ge\n0.252022 0.502022 0.004045 Ru\n0.497978 0.747978 0.495956 Ru\n0.502021 0.252021 0.504044 Ru\n0.747978 0.497978 0.995956 Ru\n",
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{
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"created_at": "2022-09-04T14:35:41.078183Z",
"updated_at": "2022-09-04T14:35:41.078203Z",
"structure_string": "Be2 In1 Pt2\n1.0\n-1.719802 1.719802 6.177501\n1.719802 -1.719802 6.177501\n1.719802 1.719802 -6.177501\nBe In Pt\n2 1 2\ndirect\n0.749999 0.250000 0.499999 Be\n0.250000 0.749999 0.499999 Be\n0.000000 0.000000 0.000000 In\n0.622619 0.622619 0.000000 Pt\n0.377380 0.377380 0.000000 Pt\n",
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"elements": [
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"volume": 73.08524632440653,
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"formula_full": "Be2 In1 Pt2",
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"spacegroup": 139
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{
"id": "jvasp-92665",
"created_at": "2022-09-04T14:35:49.123763Z",
"updated_at": "2022-09-04T14:35:49.123793Z",
"structure_string": "Tm2 Al1 Ni2\n1.0\n-0.000000 -0.000000 -4.123939\n0.000000 -5.367093 -0.000000\n-4.073554 2.683546 2.061970\nTm Al Ni\n2 1 2\ndirect\n0.797237 0.297236 0.594473 Tm\n0.202763 0.702762 0.405526 Tm\n0.000000 0.000000 0.000000 Al\n0.500000 0.731434 0.000000 Ni\n0.500000 0.268565 -0.000000 Ni\n",
"nsites": 5,
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"elements": [
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"volume": 90.16226873401205,
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"formula_full": "Tm2 Al1 Ni2",
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"spacegroup": 71
},
{
"id": "jvasp-85552",
"created_at": "2022-09-04T14:35:45.941156Z",
"updated_at": "2022-09-04T14:35:45.941174Z",
"structure_string": "U1 O2 F2\n1.0\n4.749861 2.112895 10.020134\n-1.875405 2.391181 3.504166\n-3.047203 -2.495365 -4.387971\nU O F\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.385989 0.303886 -0.000000 O\n0.614011 0.696114 1.000002 O\n0.128846 0.178028 1.000002 F\n0.871154 0.821973 -0.000001 F\n",
"nsites": 5,
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"elements": [
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"volume": 71.65050075861443,
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"formula_full": "U1 O2 F2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 12
},
{
"id": "jvasp-92595",
"created_at": "2022-09-04T14:35:46.006007Z",
"updated_at": "2022-09-04T14:35:46.006034Z",
"structure_string": "Tb2 Al1 Ni2\n1.0\n0.000000 0.000000 4.161072\n-4.162661 2.716269 2.080537\n-4.162661 -2.716269 2.080537\nTb Al Ni\n2 1 2\ndirect\n0.202790 0.297210 0.297210 Tb\n0.797211 0.702790 0.702790 Tb\n0.000000 0.000000 0.000000 Al\n0.500001 0.267772 0.732228 Ni\n0.500001 0.732228 0.267772 Ni\n",
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"formula_full": "Tb2 Al1 Ni2",
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"spacegroup": 71
},
{
"id": "jvasp-92529",
"created_at": "2022-09-04T14:35:47.078002Z",
"updated_at": "2022-09-04T14:35:47.078028Z",
"structure_string": "Sr2 Cd1 Pt2\n1.0\n-4.572986 -0.000000 0.000000\n-2.286493 -3.025934 4.546073\n-2.286493 3.025934 4.546073\nSr Cd Pt\n2 1 2\ndirect\n0.201779 0.298221 0.298221 Sr\n0.798221 0.701778 0.701778 Sr\n0.000000 0.000000 0.000000 Cd\n0.500000 0.276067 0.723933 Pt\n0.500000 0.723933 0.276067 Pt\n",
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"elements": [
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"formula_full": "Sr2 Cd1 Pt2",
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"spacegroup": 71
},
{
"id": "jvasp-87098",
"created_at": "2022-09-04T14:35:42.828701Z",
"updated_at": "2022-09-04T14:35:42.828730Z",
"structure_string": "Rb4 Mn2 Te4\n1.0\n6.508175 -0.000000 -2.765329\n-1.382793 6.720078 -3.254393\n-0.029653 0.048206 8.971342\nRb Mn Te\n4 2 4\ndirect\n0.144397 0.469688 0.288794 Rb\n0.644398 0.819106 0.288794 Rb\n0.855605 0.530313 0.711207 Rb\n0.355604 0.180895 0.711207 Rb\n0.750001 0.000000 0.000000 Mn\n0.250000 0.000000 0.000000 Mn\n0.894939 0.087063 0.789876 Te\n0.105063 0.912938 0.210125 Te\n0.605063 0.297187 0.210125 Te\n0.394939 0.702814 0.789876 Te\n",
"nsites": 10,
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"elements": [
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],
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"density": 4.065145524099428,
"density_atomic": 0.025444003032499104,
"volume": 393.01991857284423,
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"formula_full": "Rb4 Mn2 Te4",
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"spacegroup": 72
},
{
"id": "jvasp-85615",
"created_at": "2022-09-04T14:35:42.852896Z",
"updated_at": "2022-09-04T14:35:42.852931Z",
"structure_string": "Pu4 Ni4 Sn2\n1.0\n3.357505 0.000000 -0.000000\n0.000000 7.314511 -0.000000\n-0.000000 0.000000 7.314511\nPu Ni Sn\n4 4 2\ndirect\n0.500001 0.390622 0.109378 Pu\n0.500001 0.109378 0.609378 Pu\n0.500001 0.609378 0.890622 Pu\n0.500001 0.890622 0.390622 Pu\n0.000000 0.694686 0.194686 Ni\n0.000000 0.805314 0.694686 Ni\n0.000000 0.194686 0.305314 Ni\n0.000000 0.305314 0.805314 Ni\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500000 0.500000 Sn\n",
"nsites": 10,
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],
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"volume": 179.63347146067963,
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"formula_full": "Pu4 Ni4 Sn2",
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"spacegroup": 127
},
{
"id": "jvasp-97801",
"created_at": "2022-09-04T14:35:46.104116Z",
"updated_at": "2022-09-04T14:35:46.104138Z",
"structure_string": "Yb4 In2 Cu4\n1.0\n3.717943 -0.000000 0.000000\n0.000000 7.429306 0.000000\n-0.000000 -0.000000 7.429306\nYb In Cu\n4 2 4\ndirect\n0.500000 0.177105 0.677106 Yb\n0.500000 0.322895 0.177105 Yb\n0.500000 0.677106 0.822895 Yb\n0.500000 0.822895 0.322895 Yb\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 In\n0.000000 0.381983 0.881984 Cu\n0.000000 0.118017 0.381983 Cu\n0.000000 0.881984 0.618017 Cu\n0.000000 0.618017 0.118017 Cu\n",
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"formula_full": "Yb4 In2 Cu4",
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},
{
"id": "jvasp-15786",
"created_at": "2022-09-04T14:35:42.870621Z",
"updated_at": "2022-09-04T14:35:42.870653Z",
"structure_string": "Li1 Cu2 P2\n1.0\n3.660738 0.000000 -1.380046\n-0.520258 3.623580 -1.380046\n-0.002967 -0.003423 5.537428\nLi Cu P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.249999 0.750000 0.499999 Cu\n0.750000 0.250000 0.500000 Cu\n0.612668 0.612669 0.225336 P\n0.387331 0.387332 0.774663 P\n",
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"formula_full": "Li1 Cu2 P2",
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"spacegroup": 139
},
{
"id": "jvasp-91336",
"created_at": "2022-09-04T14:35:47.417469Z",
"updated_at": "2022-09-04T14:35:47.417478Z",
"structure_string": "Ba4 Ge8 P8\n1.0\n7.714454 0.000000 0.000000\n0.000000 7.714454 0.000000\n0.000000 0.000000 8.598950\nBa Ge P\n4 8 8\ndirect\n0.000000 0.000000 0.998024 Ba\n0.500000 0.000000 0.026853 Ba\n0.000000 0.500000 0.526853 Ba\n0.000000 0.000000 0.498024 Ba\n0.500000 0.668626 0.365559 Ge\n0.668626 0.500000 0.865559 Ge\n0.331373 0.500000 0.865559 Ge\n0.500000 0.331373 0.365559 Ge\n0.500000 0.833599 0.615137 Ge\n0.166400 0.500000 0.115137 Ge\n0.833599 0.500000 0.115137 Ge\n0.500000 0.166400 0.615137 Ge\n0.247216 0.767075 0.756533 P\n0.767075 0.752783 0.256533 P\n0.232924 0.247216 0.256533 P\n0.752783 0.232924 0.756533 P\n0.767075 0.247216 0.256533 P\n0.232924 0.752783 0.256533 P\n0.752783 0.767075 0.756533 P\n0.247216 0.232924 0.756533 P\n",
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