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{
"id": "jvasp-71562",
"created_at": "2022-09-04T14:35:57.420105Z",
"updated_at": "2022-09-04T14:35:57.420127Z",
"structure_string": "Be1 Cd2 Br1\n1.0\n3.211721 0.000000 -0.000000\n-0.000000 3.211721 0.000000\n0.000000 -0.000000 8.403898\nBe Cd Br\n1 2 1\ndirect\n0.000000 0.000000 0.503816 Be\n0.000000 0.000000 0.027423 Cd\n0.500000 0.500000 0.298675 Cd\n0.500000 0.500000 0.670086 Br\n",
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{
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"structure_string": "Mn1 Be1 Cd4\n1.0\n-0.000000 3.945930 3.945930\n3.945930 -0.000000 3.945930\n3.945930 3.945930 -0.000000\nMn Be Cd\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Be\n0.125334 0.624888 0.624888 Cd\n0.624888 0.624888 0.624888 Cd\n0.624888 0.125334 0.624888 Cd\n0.624888 0.624888 0.125334 Cd\n",
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{
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"structure_string": "Ca1 O1\n1.0\n2.945310 0.000000 1.700475\n0.981770 2.776865 1.700475\n0.000000 0.000000 3.400951\nCa O\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.499999 0.500002 O\n",
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{
"id": "jvasp-97368",
"created_at": "2022-09-04T14:35:57.703804Z",
"updated_at": "2022-09-04T14:35:57.703820Z",
"structure_string": "Pb8 I2 F14\n1.0\n6.045216 0.000000 0.000000\n0.000000 5.946629 -1.439267\n0.000000 -0.042077 12.830645\nPb I F\n8 2 14\ndirect\n0.750000 0.058763 0.117526 Pb\n0.750000 0.653683 0.307366 Pb\n0.250000 0.346317 0.692634 Pb\n0.750000 0.452365 0.904732 Pb\n0.250000 0.547634 0.095269 Pb\n0.750000 0.824578 0.649156 Pb\n0.250000 0.175422 0.350844 Pb\n0.250000 0.941237 0.882474 Pb\n0.750000 0.249784 0.499568 I\n0.250000 0.750216 0.500432 I\n0.500000 0.775000 -0.000000 F\n0.000000 0.225000 -0.000000 F\n0.520335 0.112157 0.757030 F\n0.000000 0.775000 -0.000000 F\n0.500000 0.225000 -0.000000 F\n0.020334 0.355128 0.242971 F\n0.520335 0.644872 0.757030 F\n0.979666 0.112157 0.757030 F\n0.479666 0.887843 0.242970 F\n0.979666 0.644872 0.757030 F\n0.479666 0.355128 0.242971 F\n0.020334 0.887843 0.242970 F\n0.750000 0.561765 0.123530 F\n0.250000 0.438235 0.876470 F\n",
"nsites": 24,
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"elements": [
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"density": 7.84509719173405,
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"volume": 460.87835482277393,
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"formula_full": "Pb8 I2 F14",
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"spacegroup": 63
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{
"id": "jvasp-99419",
"created_at": "2022-09-04T14:36:01.249604Z",
"updated_at": "2022-09-04T14:36:01.249631Z",
"structure_string": "Ca1 Pm1 Mg2\n1.0\n4.754363 -0.000000 2.744933\n1.584788 4.482457 2.744933\n-0.000000 -0.000000 5.489866\nCa Pm Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Pm\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750001 0.750000 Mg\n",
"nsites": 4,
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],
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"density": 3.3167695341340577,
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"volume": 116.99578442278846,
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{
"id": "jvasp-90059",
"created_at": "2022-09-04T14:36:01.252758Z",
"updated_at": "2022-09-04T14:36:01.252776Z",
"structure_string": "Yb3 Cd3 Sn3\n1.0\n0.000000 0.000000 -4.598236\n-3.824439 -6.624122 0.000000\n-3.824589 6.624209 0.000000\nYb Cd Sn\n3 3 3\ndirect\n0.500000 0.576105 0.000000 Yb\n0.500000 0.423875 0.423882 Yb\n0.500000 0.999993 0.576118 Yb\n0.000000 0.254758 0.000000 Cd\n0.000000 0.745218 0.745236 Cd\n0.000000 0.999983 0.254765 Cd\n0.000000 0.333324 0.666666 Sn\n0.000000 0.666659 0.333335 Sn\n0.500000 -0.000014 -0.000000 Sn\n",
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],
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"density": 8.641638071783467,
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"volume": 232.98538684030376,
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"formula_full": "Yb3 Cd3 Sn3",
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"formula_anonymous": "ABC",
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{
"id": "jvasp-86781",
"created_at": "2022-09-04T14:35:50.966264Z",
"updated_at": "2022-09-04T14:35:50.966279Z",
"structure_string": "Rb4 Fe2 I8\n1.0\n7.109104 0.000000 -2.586618\n0.000000 8.012516 0.000000\n0.039306 0.000000 10.325033\nRb Fe I\n4 2 8\ndirect\n0.199243 0.743885 0.037459 Rb\n0.297364 0.743859 0.587660 Rb\n0.702636 0.243858 0.412339 Rb\n0.800757 0.243884 0.962541 Rb\n0.801823 0.744139 0.214131 Fe\n0.198177 0.244139 0.785868 Fe\n0.632258 0.744464 0.944896 I\n0.582323 0.744300 0.362297 I\n0.028471 0.487893 0.279584 I\n0.367742 0.244464 0.055103 I\n0.971115 0.500163 0.720285 I\n0.417677 0.244299 0.637703 I\n0.971529 0.987893 0.720416 I\n0.028885 0.000163 0.279715 I\n",
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"density_atomic": 0.023771231401834316,
"volume": 588.9471926523623,
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"formula_full": "Rb4 Fe2 I8",
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"spacegroup": 11
},
{
"id": "jvasp-93086",
"created_at": "2022-09-04T14:35:48.465203Z",
"updated_at": "2022-09-04T14:35:48.465217Z",
"structure_string": "Na1 Sr1 Mg6\n1.0\n7.065786 -0.196899 0.000000\n-3.703413 6.020700 0.000000\n0.000000 0.000000 5.316373\nNa Sr Mg\n1 1 6\ndirect\n0.148281 0.351720 0.250000 Na\n0.315613 0.184387 0.750000 Sr\n0.176309 0.825989 0.250000 Mg\n0.674012 0.323692 0.250000 Mg\n0.689698 0.810303 0.250000 Mg\n0.335421 0.693833 0.750000 Mg\n0.806167 0.164579 0.750000 Mg\n0.854504 0.645497 0.750000 Mg\n",
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"formula_full": "Na1 Sr1 Mg6",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-91877",
"created_at": "2022-09-04T14:35:57.488990Z",
"updated_at": "2022-09-04T14:35:57.489009Z",
"structure_string": "Ca1 Mg7\n1.0\n6.650862 -0.000000 -0.000000\n-3.325432 5.759815 -0.000000\n-0.000000 0.000000 5.215014\nCa Mg\n1 7\ndirect\n0.166667 0.333333 0.250000 Ca\n0.173510 0.836755 0.250000 Mg\n0.663246 0.326491 0.250000 Mg\n0.663246 0.836755 0.250000 Mg\n0.337817 0.162183 0.749999 Mg\n0.337817 0.675635 0.749999 Mg\n0.824365 0.162183 0.749999 Mg\n0.833333 0.666668 0.749999 Mg\n",
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},
{
"id": "jvasp-18660",
"created_at": "2022-09-04T14:36:02.148192Z",
"updated_at": "2022-09-04T14:36:02.148220Z",
"structure_string": "Ce1 Hg2\n1.0\n2.535585 -4.391764 -0.000000\n2.535585 4.391764 -0.000000\n-0.000000 -0.000000 3.333850\nCe Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.333334 0.666668 0.500000 Hg\n0.666668 0.333334 0.500000 Hg\n",
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},
{
"id": "jvasp-94233",
"created_at": "2022-09-04T14:35:57.343812Z",
"updated_at": "2022-09-04T14:35:57.343828Z",
"structure_string": "Mg6 Cd1 Fe1\n1.0\n6.150779 0.023472 0.000000\n-3.055062 5.338466 0.000000\n0.000000 0.000000 4.883823\nMg Cd Fe\n6 1 1\ndirect\n0.166146 0.836395 0.250000 Mg\n0.663606 0.333854 0.250000 Mg\n0.665213 0.834788 0.250000 Mg\n0.328876 0.645832 0.749999 Mg\n0.854169 0.171124 0.749999 Mg\n0.834910 0.665091 0.749999 Mg\n0.330381 0.169619 0.749999 Cd\n0.156701 0.343300 0.250000 Fe\n",
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{
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"structure_string": "Ca2 In4 Ni2\n1.0\n4.320802 0.000000 0.000000\n-2.160401 5.239800 -0.000000\n0.000000 0.000000 7.626813\nCa In Ni\n2 4 2\ndirect\n0.438160 0.876318 0.250000 Ca\n0.561840 0.123682 0.750000 Ca\n0.148313 0.296626 0.448407 In\n0.851687 0.703374 0.551593 In\n0.148313 0.296626 0.051593 In\n0.851687 0.703374 0.948406 In\n0.718332 0.436663 0.250000 Ni\n0.281668 0.563337 0.750000 Ni\n",
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