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{
"id": "jvasp-38248",
"created_at": "2022-09-04T14:37:41.506690Z",
"updated_at": "2022-09-04T14:37:41.506711Z",
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{
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"structure_string": "K2 Al1 Hg1 Cl6\n1.0\n6.326027 -0.000000 3.652334\n2.108676 5.964236 3.652334\n-0.000000 -0.000000 7.304667\nK Al Hg Cl\n2 1 1 6\ndirect\n0.750001 0.750001 0.749999 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.499999 Hg\n0.773453 0.226547 0.226547 Cl\n0.226547 0.226547 0.773453 Cl\n0.226548 0.773453 0.773452 Cl\n0.226548 0.773453 0.226546 Cl\n0.773453 0.226547 0.773452 Cl\n0.773453 0.773453 0.226546 Cl\n",
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{
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"updated_at": "2022-09-04T14:37:55.019301Z",
"structure_string": "Rb2 Li1 Dy1 Br6\n1.0\n6.676258 -0.000000 -3.820785\n-2.186613 6.308023 -3.820785\n-0.029230 -0.041068 7.692206\nRb Li Dy Br\n2 1 1 6\ndirect\n0.750000 0.250000 0.500001 Rb\n0.250000 0.750000 0.500001 Rb\n0.500000 0.500000 0.000001 Li\n0.000000 0.000000 0.000000 Dy\n0.254107 0.745893 0.000001 Br\n0.254107 0.254107 0.508213 Br\n0.745894 0.745893 0.000001 Br\n0.254107 0.254106 0.000000 Br\n0.745893 0.745893 0.491788 Br\n0.745894 0.254106 0.000001 Br\n",
"nsites": 10,
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"density_atomic": 0.031069959444904614,
"volume": 321.85429844968695,
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"formula_full": "Rb2 Li1 Dy1 Br6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-31168",
"created_at": "2022-09-04T14:37:48.080996Z",
"updated_at": "2022-09-04T14:37:48.081028Z",
"structure_string": "Ac1 O1 F1\n1.0\n4.213923 -0.000000 -0.000000\n2.106962 3.649364 -0.000000\n2.106962 1.216455 3.440654\nAc O F\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ac\n0.250000 0.250000 0.250000 O\n0.750000 0.749999 0.749999 F\n",
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"elements": [
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"formula_anonymous": "ABC",
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{
"id": "jvasp-91850",
"created_at": "2022-09-04T14:37:40.691744Z",
"updated_at": "2022-09-04T14:37:40.691766Z",
"structure_string": "Sr2 Zn2 Bi4\n1.0\n4.556130 -0.000000 -0.941884\n-0.194715 4.551967 -0.941884\n0.008959 0.009351 11.533854\nSr Zn Bi\n2 2 4\ndirect\n0.877312 0.877313 0.754626 Sr\n0.122687 0.122687 0.245374 Sr\n0.249999 0.750000 0.500000 Zn\n0.750000 0.250000 0.500000 Zn\n0.330023 0.330023 0.660048 Bi\n0.669976 0.669977 0.339953 Bi\n0.500000 -0.000000 0.000000 Bi\n-0.000001 0.500000 0.000000 Bi\n",
"nsites": 8,
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"formula_full": "Sr2 Zn2 Bi4",
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"spacegroup": 139
},
{
"id": "jvasp-36975",
"created_at": "2022-09-04T14:37:55.324240Z",
"updated_at": "2022-09-04T14:37:55.324254Z",
"structure_string": "Ca2 Tl2 F6\n1.0\n5.456933 -0.012077 3.104786\n1.800004 5.151529 3.104786\n-0.017054 -0.012077 6.278338\nCa Tl F\n2 2 6\ndirect\n0.005782 0.005782 0.005782 Ca\n0.505782 0.505781 0.505783 Ca\n0.256238 0.256238 0.256239 Tl\n0.756238 0.756237 0.756240 Tl\n0.255033 0.810591 0.700856 F\n0.810590 0.700854 0.255035 F\n0.700855 0.255032 0.810592 F\n0.200855 0.310590 0.755034 F\n0.755033 0.200854 0.310592 F\n0.310590 0.755033 0.200856 F\n",
"nsites": 10,
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"elements": [
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"formula_full": "Ca2 Tl2 F6",
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{
"id": "jvasp-41314",
"created_at": "2022-09-04T14:37:40.372706Z",
"updated_at": "2022-09-04T14:37:40.372736Z",
"structure_string": "Na1 Nd1 Hg2\n1.0\n-0.000000 3.712473 3.712473\n3.712473 0.000000 3.712473\n3.712473 3.712473 0.000000\nNa Nd Hg\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Na\n0.749999 0.749999 0.749999 Nd\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
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],
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"volume": 102.33398988217596,
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"formula_full": "Na1 Nd1 Hg2",
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},
{
"id": "jvasp-39702",
"created_at": "2022-09-04T14:37:41.975322Z",
"updated_at": "2022-09-04T14:37:41.975344Z",
"structure_string": "Li1 Pr1 Hg2\n1.0\n0.000004 3.644905 3.644906\n3.644907 0.000004 3.644906\n3.644909 3.644906 0.000003\nLi Pr Hg\n1 1 2\ndirect\n0.250001 0.250001 0.250001 Li\n0.750000 0.750001 0.749999 Pr\n0.000000 0.000000 0.000000 Hg\n0.499999 0.500000 0.499998 Hg\n",
"nsites": 4,
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],
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"formula_full": "Li1 Pr1 Hg2",
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{
"id": "jvasp-25015",
"created_at": "2022-09-04T14:37:46.713828Z",
"updated_at": "2022-09-04T14:37:46.713846Z",
"structure_string": "K4 Sn1 Sb2 F14\n1.0\n6.714871 -0.004058 -0.019419\n-3.202407 6.730780 -0.022452\n-0.210850 -0.473142 7.588216\nK Sn Sb F\n4 1 2 14\ndirect\n0.282538 0.553201 0.145083 K\n0.851913 0.730206 0.413268 K\n0.717461 0.446799 0.854918 K\n0.148087 0.269794 0.586733 K\n0.000000 0.000000 0.000000 Sn\n0.402764 0.817168 0.688530 Sb\n0.597235 0.182832 0.311470 Sb\n0.594710 0.426306 0.181543 F\n0.405290 0.573695 0.818457 F\n0.154751 0.142404 0.229612 F\n0.080186 0.626961 0.672128 F\n0.845248 0.857596 0.770389 F\n0.052630 0.764432 0.063378 F\n0.714551 0.886792 0.122511 F\n0.947370 0.235568 0.936623 F\n0.721362 0.057083 0.509819 F\n0.429082 0.657517 0.480987 F\n0.285449 0.113208 0.877490 F\n0.919813 0.373039 0.327873 F\n0.278638 0.942917 0.490182 F\n0.570918 0.342483 0.519014 F\n",
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{
"id": "jvasp-40267",
"created_at": "2022-09-04T14:37:49.030485Z",
"updated_at": "2022-09-04T14:37:49.030504Z",
"structure_string": "Sm1 Cd1 Hg2\n1.0\n-0.000000 3.627838 3.627838\n3.627838 -0.000000 3.627838\n3.627838 3.627838 -0.000000\nSm Cd Hg\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Sm\n0.249999 0.249999 0.249999 Cd\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
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{
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"created_at": "2022-09-04T14:37:27.654710Z",
"updated_at": "2022-09-04T14:37:27.654729Z",
"structure_string": "Y1 Sn1 F5\n1.0\n4.054647 -0.000000 1.491060\n1.642757 5.623023 1.791287\n0.049163 0.103610 6.124752\nY Sn F\n1 1 5\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Sn\n0.500001 0.806078 0.193922 F\n0.500000 0.193922 0.806078 F\n0.743028 0.256972 0.256972 F\n0.256972 0.743027 0.743028 F\n0.000000 0.500000 0.500000 F\n",
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{
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