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"id": "jvasp-94246",
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{
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"structure_string": "Mg6 V1 Fe1\n1.0\n6.222214 -0.137456 0.000000\n-3.230147 5.319866 0.000000\n0.000000 0.000000 4.712712\nMg V Fe\n6 1 1\ndirect\n0.176901 0.842017 0.250000 Mg\n0.657982 0.323099 0.250000 Mg\n0.670924 0.829075 0.250000 Mg\n0.320207 0.661693 0.750000 Mg\n0.838306 0.179792 0.750000 Mg\n0.831740 0.668259 0.750000 Mg\n0.307388 0.192612 0.750000 V\n0.196548 0.303452 0.250000 Fe\n",
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{
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"structure_string": "Mg6 Fe1 Si1\n1.0\n6.076507 0.016898 0.000000\n-3.023619 5.270859 0.000000\n0.000000 0.000000 4.719822\nMg Fe Si\n6 1 1\ndirect\n0.168633 0.843501 0.250000 Mg\n0.656500 0.331367 0.250000 Mg\n0.665515 0.834485 0.250000 Mg\n0.326690 0.648005 0.750000 Mg\n0.851996 0.173311 0.750000 Mg\n0.832320 0.667681 0.750000 Mg\n0.182882 0.317119 0.250000 Fe\n0.315468 0.184532 0.750000 Si\n",
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{
"id": "jvasp-9425",
"created_at": "2022-09-04T14:37:15.415864Z",
"updated_at": "2022-09-04T14:37:15.415889Z",
"structure_string": "Mg2 Sb4 O12\n1.0\n4.708545 0.000000 0.000000\n-0.000000 4.708545 0.000000\n0.000000 0.000000 9.386642\nMg Sb O\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.500000 0.500000 0.832489 Sb\n0.000000 0.000000 0.332490 Sb\n0.500000 0.500000 0.167510 Sb\n0.000000 0.000000 0.667510 Sb\n0.691023 0.691023 0.000000 O\n0.808976 0.191023 0.500000 O\n0.191023 0.808976 0.500000 O\n0.308976 0.308976 0.000000 O\n0.802674 0.197325 0.829219 O\n0.697324 0.697324 0.329219 O\n0.197325 0.802674 0.170781 O\n0.302675 0.302675 0.329219 O\n0.302675 0.302675 0.670781 O\n0.697324 0.697324 0.670781 O\n0.802674 0.197325 0.170781 O\n0.197325 0.802674 0.829219 O\n",
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"elements": [
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{
"id": "jvasp-94254",
"created_at": "2022-09-04T14:36:03.396797Z",
"updated_at": "2022-09-04T14:36:03.396819Z",
"structure_string": "Hf1 Mg6 Zr1\n1.0\n6.475340 -0.111766 0.000000\n-3.334461 5.551925 0.000000\n0.000000 0.000000 5.029823\nHf Mg Zr\n1 6 1\ndirect\n0.310260 0.189740 0.750000 Hf\n0.181506 0.831047 0.250000 Mg\n0.668953 0.318495 0.250000 Mg\n0.671573 0.828428 0.250000 Mg\n0.318628 0.669209 0.750000 Mg\n0.830791 0.181372 0.750000 Mg\n0.828413 0.671587 0.750000 Mg\n0.189876 0.310124 0.250000 Zr\n",
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{
"id": "jvasp-94255",
"created_at": "2022-09-04T14:36:05.668644Z",
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"structure_string": "Mg6 Ti1 Fe1\n1.0\n6.264630 -0.128835 0.000000\n-3.243890 5.360911 0.000000\n0.000000 0.000000 4.749790\nMg Ti Fe\n6 1 1\ndirect\n0.177211 0.841542 0.250000 Mg\n0.658458 0.322789 0.250000 Mg\n0.671475 0.828526 0.250000 Mg\n0.318919 0.662369 0.750000 Mg\n0.837632 0.181082 0.750000 Mg\n0.832567 0.667434 0.750000 Mg\n0.308124 0.191876 0.750000 Ti\n0.195616 0.304384 0.250000 Fe\n",
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{
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"created_at": "2022-09-04T14:36:07.484120Z",
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"structure_string": "Mg6 Zr1 Bi1\n1.0\n6.326476 0.939092 0.000000\n-2.349962 5.948435 0.000000\n0.000000 0.000000 4.681413\nMg Zr Bi\n6 1 1\ndirect\n0.156406 0.870789 0.250000 Mg\n0.629212 0.343595 0.250000 Mg\n0.674688 0.825313 0.250000 Mg\n0.384141 0.673338 0.750000 Mg\n0.826663 0.115860 0.750000 Mg\n0.891366 0.608635 0.750000 Mg\n0.112936 0.387064 0.250000 Zr\n0.324593 0.175408 0.750000 Bi\n",
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{
"id": "jvasp-94257",
"created_at": "2022-09-04T14:36:09.329511Z",
"updated_at": "2022-09-04T14:36:09.329536Z",
"structure_string": "Ca2 Zn6\n1.0\n6.457317 -0.000000 0.000000\n-3.228659 5.592200 -0.000000\n-0.000000 0.000000 4.434897\nCa Zn\n2 6\ndirect\n0.666667 0.333333 0.250000 Ca\n0.333333 0.666667 0.750001 Ca\n0.143739 0.287478 0.250000 Zn\n0.712522 0.856261 0.250000 Zn\n0.143739 0.856261 0.250000 Zn\n0.287478 0.143739 0.750001 Zn\n0.856261 0.143739 0.750001 Zn\n0.856261 0.712522 0.750001 Zn\n",
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{
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"created_at": "2022-09-04T14:37:17.709004Z",
"updated_at": "2022-09-04T14:37:17.709014Z",
"structure_string": "Li2 Ta2 O6\n1.0\n4.567605 0.009650 3.078611\n1.642636 4.262025 3.078611\n0.014029 0.009650 5.508236\nLi Ta O\n2 2 6\ndirect\n0.281083 0.281083 0.281083 Li\n0.781083 0.781082 0.781084 Li\n0.999383 0.999382 0.999384 Ta\n0.499383 0.499383 0.499383 Ta\n0.613206 0.225930 0.868599 O\n0.725930 0.113206 0.368599 O\n0.113206 0.368598 0.725931 O\n0.368599 0.725930 0.113206 O\n0.868598 0.613205 0.225931 O\n0.225931 0.868597 0.613206 O\n",
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{
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"structure_string": "Li6 As2\n1.0\n4.341509 -0.000000 -0.000000\n-2.170754 3.759856 -0.000000\n-0.000000 0.000000 7.743668\nLi As\n6 2\ndirect\n0.000000 0.000000 0.250000 Li\n0.000000 0.000000 0.750000 Li\n0.333334 0.666668 0.584517 Li\n0.666668 0.333333 0.084516 Li\n0.666668 0.333333 0.415484 Li\n0.333334 0.666668 0.915484 Li\n0.333334 0.666668 0.250000 As\n0.666668 0.333333 0.750000 As\n",
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{
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{
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"created_at": "2022-09-04T14:36:32.733428Z",
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"structure_string": "Mn2 Mo2 O8\n1.0\n4.495947 0.014297 0.000000\n-0.052938 4.815760 0.000000\n0.000000 0.000000 5.503760\nMn Mo O\n2 2 8\ndirect\n-0.000000 0.250000 0.122765 Mn\n-0.000000 0.750000 0.877235 Mn\n0.500000 0.750000 0.363422 Mo\n0.500000 0.250000 0.636577 Mo\n0.750024 0.407217 0.361325 O\n0.249976 0.092783 0.361325 O\n0.249976 0.592783 0.638675 O\n0.750024 0.907217 0.638675 O\n0.764285 0.417967 0.871278 O\n0.235716 0.082034 0.871278 O\n0.235715 0.582034 0.128722 O\n0.764285 0.917967 0.128722 O\n",
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