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"structure_string": "Mg6 V1 Ni1\n1.0\n6.184466 -0.165438 0.000000\n-3.235507 5.273185 0.000000\n0.000000 0.000000 4.682208\nMg V Ni\n6 1 1\ndirect\n0.176899 0.848332 0.250000 Mg\n0.651669 0.323101 0.250000 Mg\n0.672926 0.827075 0.250000 Mg\n0.321498 0.661520 0.750000 Mg\n0.838480 0.178502 0.750000 Mg\n0.831589 0.668411 0.750000 Mg\n0.307549 0.192451 0.750000 V\n0.199391 0.300609 0.250000 Ni\n",
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{
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"structure_string": "Mg6 Ti1 Ni1\n1.0\n6.221525 0.195390 0.000000\n-2.941551 5.094914 0.000000\n0.000000 0.000000 4.794493\nMg Ti Ni\n6 1 1\ndirect\n0.646800 0.325431 0.250000 Mg\n0.646800 0.821367 0.250000 Mg\n0.330800 0.167041 0.750000 Mg\n0.330800 0.663759 0.750000 Mg\n0.877240 0.188621 0.750000 Mg\n0.843593 0.671797 0.750000 Mg\n0.145270 0.822633 0.250000 Ti\n0.178694 0.339346 0.250000 Ni\n",
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{
"id": "jvasp-94115",
"created_at": "2022-09-04T14:35:41.419290Z",
"updated_at": "2022-09-04T14:35:41.419319Z",
"structure_string": "Na1 Mg6 Ni1\n1.0\n6.510806 -0.191421 0.000000\n-3.421179 5.542812 0.000000\n0.000000 0.000000 4.895492\nNa Mg Ni\n1 6 1\ndirect\n0.318985 0.181015 0.750000 Na\n0.177001 0.809142 0.250000 Mg\n0.690858 0.322999 0.250000 Mg\n0.676602 0.823398 0.250000 Mg\n0.325723 0.648742 0.750000 Mg\n0.851259 0.174277 0.750000 Mg\n0.835763 0.664237 0.750000 Mg\n0.123808 0.376192 0.250000 Ni\n",
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"density": 2.1779496568998598,
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"formula_full": "Na1 Mg6 Ni1",
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{
"id": "jvasp-94117",
"created_at": "2022-09-04T14:35:43.817682Z",
"updated_at": "2022-09-04T14:35:43.817710Z",
"structure_string": "Mg6 Ti1 Co1\n1.0\n6.262008 -0.147022 0.000000\n-3.258329 5.349548 0.000000\n0.000000 0.000000 4.682255\nMg Ti Co\n6 1 1\ndirect\n0.176400 0.844664 0.250000 Mg\n0.655337 0.323601 0.250000 Mg\n0.671837 0.828164 0.250000 Mg\n0.318391 0.662128 0.750001 Mg\n0.837873 0.181610 0.750001 Mg\n0.832821 0.667179 0.750001 Mg\n0.305936 0.194064 0.750001 Ti\n0.201406 0.298594 0.250000 Co\n",
"nsites": 8,
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"formula_full": "Mg6 Ti1 Co1",
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{
"id": "jvasp-94118",
"created_at": "2022-09-04T14:35:46.651182Z",
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"structure_string": "Mg6 Cd1 Co1\n1.0\n6.116719 -0.060554 0.000000\n-3.110801 5.388064 0.000000\n0.000000 0.000000 4.789765\nMg Cd Co\n6 1 1\ndirect\n0.671974 0.333346 0.250000 Mg\n0.671974 0.838625 0.250000 Mg\n0.321418 0.175794 0.749999 Mg\n0.321418 0.645624 0.749999 Mg\n0.849193 0.174598 0.749999 Mg\n0.833335 0.666668 0.749999 Mg\n0.170683 0.835341 0.250000 Cd\n0.160005 0.330003 0.250000 Co\n",
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{
"id": "jvasp-9412",
"created_at": "2022-09-04T14:36:31.061980Z",
"updated_at": "2022-09-04T14:36:31.062002Z",
"structure_string": "Pr2 Al2 O6\n1.0\n4.642904 -0.014599 2.654076\n1.533097 4.382509 2.654076\n-0.020642 -0.014599 5.347920\nPr Al O\n2 2 6\ndirect\n0.750000 0.750000 0.750001 Pr\n0.250000 0.250000 0.250000 Pr\n0.500000 0.500000 0.500001 Al\n0.000000 0.000000 0.000000 Al\n0.294854 0.750000 0.205147 O\n0.750000 0.205146 0.294855 O\n0.205147 0.294854 0.750000 O\n0.705146 0.250000 0.794854 O\n0.794854 0.705146 0.250001 O\n0.250001 0.794854 0.705147 O\n",
"nsites": 10,
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"elements": [
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],
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"density": 6.559838233352575,
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"volume": 109.29825706184835,
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"formula_full": "Pr2 Al2 O6",
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{
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"created_at": "2022-09-04T14:35:48.676940Z",
"updated_at": "2022-09-04T14:35:48.676956Z",
"structure_string": "Mg6 Co1 Sb1\n1.0\n6.187216 -0.148609 0.000000\n-3.222306 5.581197 0.000000\n0.000000 0.000000 4.766004\nMg Co Sb\n6 1 1\ndirect\n0.679492 0.333401 0.250000 Mg\n0.679492 0.846089 0.250000 Mg\n0.321897 0.187624 0.749999 Mg\n0.321897 0.634274 0.749999 Mg\n0.847137 0.173569 0.749999 Mg\n0.819125 0.659563 0.749999 Mg\n0.158690 0.329345 0.250000 Co\n0.172272 0.836135 0.250000 Sb\n",
"nsites": 8,
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"formula_full": "Mg6 Co1 Sb1",
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"spacegroup": 38
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{
"id": "jvasp-94121",
"created_at": "2022-09-04T14:35:50.786835Z",
"updated_at": "2022-09-04T14:35:50.786854Z",
"structure_string": "Mg6 Si1 Ni1\n1.0\n6.020366 -0.158919 0.000000\n-3.147810 5.452168 0.000000\n0.000000 0.000000 4.661460\nMg Si Ni\n6 1 1\ndirect\n0.676698 0.335839 0.250000 Mg\n0.676698 0.840857 0.250000 Mg\n0.318814 0.171764 0.750000 Mg\n0.318814 0.647052 0.750000 Mg\n0.844582 0.172291 0.750000 Mg\n0.835786 0.667894 0.750000 Mg\n0.167980 0.833990 0.250000 Si\n0.160631 0.330316 0.250000 Ni\n",
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{
"id": "jvasp-94122",
"created_at": "2022-09-04T14:35:52.417930Z",
"updated_at": "2022-09-04T14:35:52.417956Z",
"structure_string": "Mg6 Nb1 Co1\n1.0\n6.258769 -0.192218 0.000000\n-3.295849 5.324143 0.000000\n0.000000 0.000000 4.690195\nMg Nb Co\n6 1 1\ndirect\n0.179580 0.842868 0.250000 Mg\n0.657131 0.320419 0.250000 Mg\n0.674457 0.825542 0.250000 Mg\n0.318734 0.667118 0.749999 Mg\n0.832881 0.181265 0.749999 Mg\n0.831389 0.668610 0.749999 Mg\n0.305637 0.194362 0.749999 Nb\n0.200190 0.299810 0.250000 Co\n",
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{
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"created_at": "2022-09-04T14:35:54.355117Z",
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"structure_string": "Mg6 Cd1 Co1\n1.0\n6.097999 0.040227 0.000000\n-3.014161 5.301135 0.000000\n0.000000 0.000000 4.849302\nMg Cd Co\n6 1 1\ndirect\n0.165160 0.835464 0.250000 Mg\n0.664536 0.334840 0.250000 Mg\n0.664213 0.835787 0.250000 Mg\n0.328029 0.638392 0.750000 Mg\n0.861608 0.171971 0.750000 Mg\n0.836571 0.663430 0.750000 Mg\n0.334737 0.165263 0.750000 Cd\n0.145147 0.354853 0.250000 Co\n",
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{
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"structure_string": "Mg6 V1 Ni1\n1.0\n6.104857 0.141998 0.000000\n-2.929454 5.073964 0.000000\n0.000000 0.000000 4.728739\nMg V Ni\n6 1 1\ndirect\n0.651382 0.327085 0.250000 Mg\n0.651382 0.824295 0.250000 Mg\n0.328274 0.162716 0.750000 Mg\n0.328274 0.665558 0.750000 Mg\n0.872176 0.186088 0.750000 Mg\n0.850883 0.675441 0.750000 Mg\n0.147843 0.823920 0.250000 V\n0.169790 0.334894 0.250000 Ni\n",
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