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{
"id": "jvasp-94156",
"created_at": "2022-09-04T14:36:15.476220Z",
"updated_at": "2022-09-04T14:36:15.476247Z",
"structure_string": "Hf1 Mg6 Cu1\n1.0\n6.426673 0.291335 0.000000\n-2.961034 5.128660 0.000000\n0.000000 0.000000 4.869021\nHf Mg Cu\n1 6 1\ndirect\n0.133363 0.816682 0.250000 Hf\n0.637193 0.319213 0.250000 Mg\n0.637193 0.817982 0.250000 Mg\n0.335975 0.165545 0.750000 Mg\n0.335975 0.670431 0.750000 Mg\n0.886966 0.193485 0.750000 Mg\n0.830742 0.665373 0.750000 Mg\n0.202591 0.351294 0.250000 Cu\n",
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{
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"structure_string": "K1 Mg6 W1\n1.0\n6.294560 -1.686123 0.000000\n-4.607506 7.980434 0.000000\n0.000000 0.000000 4.373889\nK Mg W\n1 6 1\ndirect\n0.249929 0.374964 0.250000 K\n0.750017 0.375045 0.250000 Mg\n0.750016 0.874971 0.250000 Mg\n0.250007 0.090742 0.750000 Mg\n0.250006 0.659265 0.750000 Mg\n0.681424 0.090712 0.750000 Mg\n0.818589 0.659295 0.750000 Mg\n0.250009 0.875004 0.250000 W\n",
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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_atomic": 0.05265293560860996,
"volume": 151.93834697968515,
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"formula_full": "Mg6 Ti1 B1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-94209",
"created_at": "2022-09-04T14:36:10.170583Z",
"updated_at": "2022-09-04T14:36:10.170620Z",
"structure_string": "Mg6 V1 Cu1\n1.0\n6.135148 -0.064087 0.000000\n-3.123075 5.281151 0.000000\n0.000000 0.000000 4.779389\nMg V Cu\n6 1 1\ndirect\n0.173277 0.850518 0.250000 Mg\n0.649481 0.326722 0.250000 Mg\n0.668693 0.831305 0.250000 Mg\n0.323934 0.658063 0.750000 Mg\n0.841937 0.176065 0.750000 Mg\n0.832747 0.667252 0.750000 Mg\n0.321403 0.178597 0.750000 V\n0.188525 0.311474 0.250000 Cu\n",
"nsites": 8,
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"elements": [
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"chemical_system": "Cu-Mg-V",
"density": 2.8087788197421117,
"density_atomic": 0.05198224912897236,
"volume": 153.8986891496619,
"volume_molar": 11.584994610484356,
"formula_full": "Mg6 V1 Cu1",
"formula_reduced": "Mg6VCu",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-93186",
"created_at": "2022-09-04T14:36:09.496042Z",
"updated_at": "2022-09-04T14:36:09.496078Z",
"structure_string": "Hf1 Mg6 Ti1\n1.0\n6.442406 0.282055 0.000000\n-2.976936 5.156204 0.000000\n0.000000 0.000000 5.032528\nHf Mg Ti\n1 6 1\ndirect\n0.150950 0.825474 0.250000 Hf\n0.651918 0.325455 0.250000 Mg\n0.651918 0.826460 0.250000 Mg\n0.335681 0.168668 0.750000 Mg\n0.335681 0.667013 0.750000 Mg\n0.865740 0.182869 0.750000 Mg\n0.847030 0.673515 0.750000 Mg\n0.161078 0.330538 0.250000 Ti\n",
"nsites": 8,
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"elements": [
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"Ti"
],
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"density": 3.605825539314141,
"density_atomic": 0.04667500791001693,
"volume": 171.39793560234446,
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"formula_full": "Hf1 Mg6 Ti1",
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"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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],
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"density": 3.0064096598118035,
"density_atomic": 0.04591439634528219,
"volume": 174.23729019192515,
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"formula_full": "Mg6 Ti1 Sb1",
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{
"id": "jvasp-94760",
"created_at": "2022-09-04T14:36:09.871320Z",
"updated_at": "2022-09-04T14:36:09.871340Z",
"structure_string": "Rb1 Ca1 Mg6\n1.0\n6.987372 0.211007 0.000000\n-3.310949 6.156745 0.000000\n0.000000 0.000000 5.474645\nRb Ca Mg\n1 1 6\ndirect\n0.367616 0.132384 0.750001 Rb\n0.164869 0.335130 0.250000 Ca\n0.117861 0.793313 0.250000 Mg\n0.706686 0.382139 0.250000 Mg\n0.644050 0.855950 0.250000 Mg\n0.313739 0.629586 0.750001 Mg\n0.870413 0.186261 0.750001 Mg\n0.814763 0.685236 0.750001 Mg\n",
"nsites": 8,
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"elements": [
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"Mg"
],
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"density": 1.8827946772816673,
"density_atomic": 0.03342510149449524,
"volume": 239.3410832669428,
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"formula_full": "Rb1 Ca1 Mg6",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
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{
"id": "jvasp-91518",
"created_at": "2022-09-04T14:36:11.000964Z",
"updated_at": "2022-09-04T14:36:11.000993Z",
"structure_string": "Li1 Os1 F6\n1.0\n-2.507680 -4.343430 -0.000000\n2.507680 -4.343430 -0.000000\n-0.000000 -2.895620 4.574470\nLi Os F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Os\n0.892907 0.621510 0.242800 F\n0.621510 0.242783 0.242800 F\n0.242783 0.892907 0.242800 F\n0.107093 0.378490 0.757200 F\n0.378490 0.757217 0.757200 F\n0.757217 0.107093 0.757200 F\n",
"nsites": 8,
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"elements": [
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"density": 5.1851236645223215,
"density_atomic": 0.08028127563329052,
"volume": 99.64963731446504,
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"formula_full": "Li1 Os1 F6",
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"formula_anonymous": "ABC6",
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"spacegroup": 148
},
{
"id": "jvasp-93174",
"created_at": "2022-09-04T14:36:15.759834Z",
"updated_at": "2022-09-04T14:36:15.759861Z",
"structure_string": "Li1 Mg6 Cr1\n1.0\n6.225947 -0.065091 0.000000\n-3.169344 5.489464 0.000000\n0.000000 0.000000 4.986008\nLi Mg Cr\n1 6 1\ndirect\n0.170877 0.335438 0.250000 Li\n0.668372 0.335024 0.250000 Mg\n0.668372 0.833346 0.250000 Mg\n0.323530 0.157652 0.750000 Mg\n0.323530 0.665878 0.750000 Mg\n0.835274 0.167637 0.750000 Mg\n0.840200 0.670100 0.750000 Mg\n0.169846 0.834922 0.250000 Cr\n",
"nsites": 8,
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-93070",
"created_at": "2022-09-04T14:36:13.146352Z",
"updated_at": "2022-09-04T14:36:13.146386Z",
"structure_string": "Na1 Mg6 Mo1\n1.0\n6.230163 0.000069 0.000000\n-3.115022 5.395513 0.000000\n0.000000 0.000000 4.981054\nNa Mg Mo\n1 6 1\ndirect\n0.083337 0.416663 0.250000 Na\n0.107257 0.928621 0.250000 Mg\n0.571378 0.392743 0.250000 Mg\n0.571367 0.928632 0.250000 Mg\n0.422343 0.586190 0.749999 Mg\n0.913810 0.077658 0.749999 Mg\n0.913823 0.586176 0.749999 Mg\n0.416683 0.083317 0.749999 Mo\n",
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{
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"created_at": "2022-09-04T14:36:22.036837Z",
"updated_at": "2022-09-04T14:36:22.036860Z",
"structure_string": "Pt1 Pb1 F6\n1.0\n4.812049 -0.000047 -0.664007\n-0.761917 4.751348 -0.664007\n-0.000040 -0.000047 4.857646\nPt Pb F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.500000 Pb\n0.705575 0.705575 0.062621 F\n0.705575 0.062621 0.705575 F\n0.294424 0.937378 0.294424 F\n0.294424 0.294424 0.937378 F\n0.937378 0.294424 0.294424 F\n0.062621 0.705575 0.705575 F\n",
"nsites": 8,
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{
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"created_at": "2022-09-04T14:36:10.450925Z",
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"structure_string": "Mg6 Sb1 Mo1\n1.0\n6.171212 0.097835 0.000000\n-3.000879 5.197675 0.000000\n0.000000 0.000000 5.094603\nMg Sb Mo\n6 1 1\ndirect\n0.664093 0.329396 0.250000 Mg\n0.664092 0.834694 0.250000 Mg\n0.333086 0.179890 0.749999 Mg\n0.333085 0.653196 0.749999 Mg\n0.852502 0.176251 0.749999 Mg\n0.826389 0.663194 0.749999 Mg\n0.158247 0.829123 0.250000 Sb\n0.168501 0.334249 0.250000 Mo\n",
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