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{
"id": "jvasp-76246",
"created_at": "2022-09-04T14:36:40.071754Z",
"updated_at": "2022-09-04T14:36:40.071780Z",
"structure_string": "Sc10 Si6\n1.0\n7.896434 -0.000000 -0.000000\n-3.948216 6.838512 0.000000\n-0.000000 -0.000000 5.823690\nSc Si\n10 6\ndirect\n-0.000000 0.758115 0.750000 Sc\n-0.000000 0.241885 0.250000 Sc\n0.758114 0.758115 0.250000 Sc\n0.758114 0.000000 0.750000 Sc\n0.241885 0.241885 0.750000 Sc\n0.241885 0.000000 0.250000 Sc\n0.333332 0.666667 0.500000 Sc\n0.666666 0.333333 0.000000 Sc\n0.666666 0.333333 0.500000 Sc\n0.333332 0.666667 0.000000 Sc\n0.394074 0.000000 0.750000 Si\n0.394073 0.394074 0.250000 Si\n-0.000000 0.605926 0.250000 Si\n-0.000000 0.394074 0.750000 Si\n0.605926 0.605926 0.750000 Si\n0.605926 0.000000 0.250000 Si\n",
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{
"id": "jvasp-76241",
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"updated_at": "2022-09-04T14:37:00.032730Z",
"structure_string": "Yb10 Pb6\n1.0\n9.309505 -0.000000 0.000000\n-4.654752 8.062267 -0.000000\n-0.000000 -0.000000 6.717387\nYb Pb\n10 6\ndirect\n0.000000 0.727432 0.750000 Yb\n0.727432 0.727432 0.250000 Yb\n0.272568 0.272568 0.750000 Yb\n0.727432 0.000000 0.750000 Yb\n0.333333 0.666667 0.500000 Yb\n0.272568 0.000000 0.250000 Yb\n0.000000 0.272568 0.250000 Yb\n0.666667 0.333333 0.500000 Yb\n0.333333 0.666667 0.000000 Yb\n0.666667 0.333333 0.000000 Yb\n0.383164 0.383164 0.250000 Pb\n0.000000 0.383164 0.750000 Pb\n0.616836 0.616836 0.750000 Pb\n0.000000 0.616836 0.250000 Pb\n0.616836 0.000000 0.250000 Pb\n0.383164 0.000000 0.750000 Pb\n",
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{
"id": "jvasp-76238",
"created_at": "2022-09-04T14:36:32.557614Z",
"updated_at": "2022-09-04T14:36:32.557632Z",
"structure_string": "Yb10 Au6\n1.0\n6.939461 0.000000 -3.327851\n-1.595887 6.753464 -3.327852\n-0.033011 -0.041720 8.830407\nYb Au\n10 6\ndirect\n0.022946 0.522946 0.712065 Yb\n0.477054 0.310880 0.287935 Yb\n0.977054 0.477054 0.287935 Yb\n0.189120 0.022946 0.712065 Yb\n0.689120 0.189120 0.712065 Yb\n0.522946 0.689119 0.712065 Yb\n0.500000 0.500000 -0.000000 Yb\n0.810880 0.977053 0.287935 Yb\n0.310880 0.810880 0.287935 Yb\n0.000000 0.000000 0.000000 Yb\n0.865045 0.634954 -0.000000 Au\n0.250000 0.250000 0.500000 Au\n0.134954 0.365045 -0.000000 Au\n0.634954 0.134954 0.000000 Au\n0.365045 0.865045 -0.000000 Au\n0.750000 0.750000 0.500000 Au\n",
"nsites": 16,
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"elements": [
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"density": 11.739890757229816,
"density_atomic": 0.03884309533563726,
"volume": 411.9136196985961,
"volume_molar": 15.50376124241284,
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"spacegroup": 140
},
{
"id": "jvasp-76237",
"created_at": "2022-09-04T14:37:02.914537Z",
"updated_at": "2022-09-04T14:37:02.914550Z",
"structure_string": "Tb16 Cd4 Rh4\n1.0\n8.299929 0.000000 4.791966\n2.766643 7.825249 4.791966\n-0.000000 0.000000 9.583932\nTb Cd Rh\n16 4 4\ndirect\n0.949896 0.350034 0.350035 Tb\n0.189384 0.810615 0.810615 Tb\n0.563987 0.936013 0.936013 Tb\n0.936013 0.563987 0.563988 Tb\n0.810615 0.189384 0.189385 Tb\n0.936012 0.936013 0.563988 Tb\n0.350034 0.350034 0.350035 Tb\n0.189384 0.810615 0.189385 Tb\n0.350034 0.350034 0.949896 Tb\n0.810615 0.810615 0.189385 Tb\n0.810615 0.189384 0.810615 Tb\n0.563987 0.563987 0.936013 Tb\n0.189384 0.189384 0.810615 Tb\n0.936013 0.563987 0.936013 Tb\n0.563987 0.936013 0.563988 Tb\n0.350034 0.949896 0.350035 Tb\n0.255114 0.581629 0.581629 Cd\n0.581628 0.581629 0.581629 Cd\n0.581628 0.581629 0.255115 Cd\n0.581628 0.255115 0.581629 Cd\n0.142492 0.572525 0.142492 Rh\n0.142492 0.142492 0.572525 Rh\n0.142492 0.142492 0.142492 Rh\n0.572525 0.142492 0.142492 Rh\n",
"nsites": 24,
"nelements": 3,
"elements": [
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"density": 9.080954864501303,
"density_atomic": 0.03855626664125313,
"volume": 622.4669059198094,
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{
"id": "jvasp-76236",
"created_at": "2022-09-04T14:36:55.173713Z",
"updated_at": "2022-09-04T14:36:55.173733Z",
"structure_string": "Er16 In4 Ir4\n1.0\n8.242840 -0.000000 4.759006\n2.747613 7.771424 4.759006\n-0.000000 -0.000000 9.518011\nEr In Ir\n16 4 4\ndirect\n0.939543 0.560456 0.560458 Er\n0.939543 0.560456 0.939544 Er\n0.560457 0.939543 0.939544 Er\n0.939543 0.939543 0.560458 Er\n0.191073 0.808926 0.808927 Er\n0.191073 0.808926 0.191074 Er\n0.808926 0.808926 0.191075 Er\n0.349631 0.349631 0.951106 Er\n0.191074 0.191074 0.808927 Er\n0.951105 0.349631 0.349632 Er\n0.349631 0.951105 0.349632 Er\n0.808926 0.191074 0.191074 Er\n0.560457 0.939543 0.560458 Er\n0.808926 0.191074 0.808927 Er\n0.349631 0.349631 0.349632 Er\n0.560457 0.560456 0.939544 Er\n0.248386 0.583871 0.583872 In\n0.583871 0.583871 0.248387 In\n0.583871 0.583871 0.583872 In\n0.583871 0.248386 0.583872 In\n0.141447 0.141447 0.575659 Ir\n0.141447 0.575659 0.141447 Ir\n0.575659 0.141447 0.141447 Ir\n0.141447 0.141447 0.141447 Ir\n",
"nsites": 24,
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"elements": [
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"In",
"Ir"
],
"chemical_system": "Er-In-Ir",
"density": 10.633269517848122,
"density_atomic": 0.03936294334999885,
"volume": 609.7105032670455,
"volume_molar": 15.29901030635245,
"formula_full": "Er16 In4 Ir4",
"formula_reduced": "Er4InIr",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-76235",
"created_at": "2022-09-04T14:37:05.328896Z",
"updated_at": "2022-09-04T14:37:05.328929Z",
"structure_string": "Tb16 Mg4 Ir4\n1.0\n8.390647 0.000000 4.844342\n2.796883 7.910778 4.844342\n-0.000000 0.000000 9.688685\nTb Mg Ir\n16 4 4\ndirect\n0.811952 0.811952 0.188048 Tb\n0.040562 0.653146 0.653146 Tb\n0.653146 0.040562 0.653146 Tb\n0.188048 0.811952 0.188048 Tb\n0.436438 0.436438 0.063562 Tb\n0.436438 0.063562 0.436438 Tb\n0.063562 0.436438 0.436438 Tb\n0.188048 0.811952 0.811951 Tb\n0.063562 0.063562 0.436438 Tb\n0.811952 0.188048 0.188048 Tb\n0.063562 0.436438 0.063562 Tb\n0.653146 0.653146 0.653146 Tb\n0.653146 0.653146 0.040562 Tb\n0.436438 0.063562 0.063562 Tb\n0.188048 0.188048 0.811951 Tb\n0.811952 0.188048 0.811951 Tb\n0.420209 0.739374 0.420208 Mg\n0.739374 0.420209 0.420208 Mg\n0.420209 0.420209 0.420208 Mg\n0.420209 0.420209 0.739373 Mg\n0.858576 0.858576 0.858575 Ir\n0.858576 0.424273 0.858575 Ir\n0.424273 0.858576 0.858576 Ir\n0.858576 0.858576 0.424273 Ir\n",
"nsites": 24,
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"elements": [
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"Mg",
"Ir"
],
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"density": 8.802034362882875,
"density_atomic": 0.0373191512408289,
"volume": 643.1014426111298,
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"spacegroup": 216
},
{
"id": "jvasp-76232",
"created_at": "2022-09-04T14:36:32.918863Z",
"updated_at": "2022-09-04T14:36:32.918892Z",
"structure_string": "Y4 Mg2 Cu4\n1.0\n3.710795 0.000000 0.000000\n0.000000 7.624794 0.000000\n-0.000000 -0.000000 7.624794\nY Mg Cu\n4 2 4\ndirect\n0.499999 0.330172 0.830172 Y\n0.499999 0.169828 0.330172 Y\n0.499999 0.830172 0.669828 Y\n0.499999 0.669828 0.169828 Y\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.876117 0.376117 Cu\n0.000000 0.623883 0.876117 Cu\n0.000000 0.123883 0.623883 Cu\n0.000000 0.376117 0.123883 Cu\n",
"nsites": 10,
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"Mg",
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"density": 5.067890289013232,
"density_atomic": 0.04635288904458124,
"volume": 215.73628324185378,
"volume_molar": 12.991942647216726,
"formula_full": "Y4 Mg2 Cu4",
"formula_reduced": "Y2MgCu2",
"formula_anonymous": "AB2C2",
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"spacegroup": 127
},
{
"id": "jvasp-76228",
"created_at": "2022-09-04T14:36:04.980402Z",
"updated_at": "2022-09-04T14:36:04.980437Z",
"structure_string": "Ho10 Rh6\n1.0\n8.167787 0.000000 -0.000000\n-4.083893 7.073511 -0.000000\n-0.000000 0.000000 6.236773\nHo Rh\n10 6\ndirect\n0.000000 0.751240 0.750000 Ho\n0.000000 0.248760 0.250000 Ho\n0.751241 0.751240 0.250000 Ho\n0.751240 0.000000 0.750000 Ho\n0.248760 0.248760 0.750000 Ho\n0.248760 0.000000 0.250000 Ho\n0.333333 0.666667 0.500000 Ho\n0.666667 0.333333 0.000000 Ho\n0.666667 0.333333 0.500000 Ho\n0.333333 0.666667 0.000000 Ho\n0.396582 0.000000 0.750000 Rh\n0.396582 0.396582 0.250000 Rh\n0.000000 0.603418 0.250000 Rh\n0.000000 0.396582 0.750000 Rh\n0.603418 0.603418 0.750000 Rh\n0.603418 0.000000 0.250000 Rh\n",
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"density": 10.44601640763317,
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"volume": 360.3291309236291,
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"formula_full": "Ho10 Rh6",
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"spacegroup": 193
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{
"id": "jvasp-76219",
"created_at": "2022-09-04T14:36:20.859330Z",
"updated_at": "2022-09-04T14:36:20.859360Z",
"structure_string": "Ca10 Sb6\n1.0\n9.031500 0.000000 0.000000\n-4.515751 7.821509 -0.000000\n0.000000 -0.000000 6.917966\nCa Sb\n10 6\ndirect\n0.333333 0.666667 0.000000 Ca\n0.666667 0.333333 0.500000 Ca\n0.666667 0.333333 0.000000 Ca\n0.333333 0.666667 0.500000 Ca\n0.252222 -0.000000 0.250000 Ca\n0.252222 0.252222 0.750000 Ca\n0.000000 0.747778 0.750000 Ca\n0.000000 0.252222 0.250000 Ca\n0.747778 0.747778 0.250000 Ca\n0.747778 -0.000000 0.750000 Ca\n0.611531 -0.000000 0.250000 Sb\n0.611531 0.611531 0.750000 Sb\n0.000000 0.388469 0.750000 Sb\n0.000000 0.611531 0.250000 Sb\n0.388469 0.388469 0.250000 Sb\n0.388469 -0.000000 0.750000 Sb\n",
"nsites": 16,
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{
"id": "jvasp-76206",
"created_at": "2022-09-04T14:36:17.072193Z",
"updated_at": "2022-09-04T14:36:17.072219Z",
"structure_string": "Li2 Nd4 Si4\n1.0\n-0.000000 0.000000 4.314384\n7.434852 -0.000000 -0.000000\n-0.000000 7.434852 0.000000\nLi Nd Si\n2 4 4\ndirect\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.181513 0.681513 Nd\n0.500000 0.818486 0.318486 Nd\n0.500000 0.318486 0.181513 Nd\n0.500000 0.681513 0.818486 Nd\n0.000000 0.614821 0.114821 Si\n0.000000 0.385179 0.885179 Si\n0.000000 0.885179 0.614821 Si\n0.000000 0.114821 0.385179 Si\n",
"nsites": 10,
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"volume": 238.48630904317045,
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"formula_full": "Li2 Nd4 Si4",
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"spacegroup": 127
},
{
"id": "jvasp-76204",
"created_at": "2022-09-04T14:35:58.712469Z",
"updated_at": "2022-09-04T14:35:58.712485Z",
"structure_string": "Nd2 Sc2 Si2\n1.0\n4.293282 -0.000000 0.000000\n-0.000000 4.293282 0.000000\n-2.146642 -2.146642 7.904008\nNd Sc Si\n2 2 2\ndirect\n0.676415 0.676415 0.352831 Nd\n0.323585 0.323585 0.647169 Nd\n0.500000 -0.000000 -0.000000 Sc\n-0.000000 0.500000 -0.000000 Sc\n0.877278 0.877278 0.754557 Si\n0.122722 0.122722 0.245444 Si\n",
"nsites": 6,
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"volume": 145.68881215852832,
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"formula_full": "Nd2 Sc2 Si2",
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"formula_anonymous": "ABC",
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"spacegroup": 139
},
{
"id": "jvasp-76203",
"created_at": "2022-09-04T14:35:58.055075Z",
"updated_at": "2022-09-04T14:35:58.055091Z",
"structure_string": "Ce2 Sc2 Sb2\n1.0\n4.438085 -0.000000 -0.000000\n-0.000000 4.438085 -0.000000\n-2.219042 -2.219042 8.221078\nCe Sc Sb\n2 2 2\ndirect\n0.825307 0.825307 0.650614 Ce\n0.174693 0.174693 0.349386 Ce\n0.499999 0.000000 0.000000 Sc\n0.000000 0.499999 0.000000 Sc\n0.627713 0.627713 0.255428 Sb\n0.372287 0.372287 0.744573 Sb\n",
"nsites": 6,
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"elements": [
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],
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"volume": 161.9272723337372,
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"formula_full": "Ce2 Sc2 Sb2",
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"spacegroup": 139
}
]
}