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{
"id": "jvasp-50332",
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"structure_string": "Na2 Cu1 O2\n1.0\n-2.251231 1.496496 4.920792\n2.251231 -1.496496 4.920792\n2.251231 1.496496 -4.920792\nNa Cu O\n2 1 2\ndirect\n0.685897 0.185895 0.500001 Na\n0.314104 0.814104 0.500000 Na\n0.000000 0.500000 0.500000 Cu\n0.367005 0.367005 0.000000 O\n0.632995 0.632995 -0.000000 O\n",
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{
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"structure_string": "Pr2 Zn4\n1.0\n4.615383 0.000000 0.000000\n2.307692 -3.752443 3.784877\n2.307692 -3.752443 -3.784877\nPr Zn\n2 4\ndirect\n0.750000 0.712720 0.787279 Pr\n0.250000 0.287279 0.212720 Pr\n0.553905 0.280911 0.611278 Zn\n0.446095 0.719088 0.388721 Zn\n0.053905 0.111277 0.780912 Zn\n0.946095 0.888722 0.219087 Zn\n",
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{
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"structure_string": "Ca1 Au5\n1.0\n4.803397 -0.000000 2.773243\n1.601133 4.528688 2.773243\n0.000000 -0.000000 5.546486\nCa Au\n1 5\ndirect\n0.000000 0.000000 0.000000 Ca\n0.624715 0.624715 0.125853 Au\n0.125853 0.624715 0.624715 Au\n0.250000 0.250000 0.250000 Au\n0.624715 0.125854 0.624715 Au\n0.624715 0.624715 0.624715 Au\n",
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{
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"created_at": "2022-09-04T14:35:56.122106Z",
"updated_at": "2022-09-04T14:35:56.122124Z",
"structure_string": "Ca1 Au5\n1.0\n-0.000000 3.921931 3.921931\n3.921931 0.000000 3.921931\n3.921931 3.921931 -0.000000\nCa Au\n1 5\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Au\n0.624714 0.624714 0.125857 Au\n0.624714 0.624714 0.624714 Au\n0.125857 0.624714 0.624714 Au\n0.624714 0.125857 0.624714 Au\n",
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{
"id": "jvasp-41090",
"created_at": "2022-09-04T14:38:15.301237Z",
"updated_at": "2022-09-04T14:38:15.301263Z",
"structure_string": "Li1 Yb2 Rh1\n1.0\n0.000000 3.437252 3.437252\n3.437252 -0.000000 3.437252\n3.437252 3.437252 0.000000\nYb Li Rh\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Yb\n0.250000 0.250000 0.250000 Li\n0.749999 0.749999 0.749999 Rh\n",
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{
"id": "jvasp-8788",
"created_at": "2022-09-04T14:37:11.090299Z",
"updated_at": "2022-09-04T14:37:11.090328Z",
"structure_string": "Ba1 In2 Te4\n1.0\n7.071426 -0.075057 -0.000000\n-3.364589 6.220146 0.000000\n-1.853418 -3.072545 6.093849\nBa In Te\n1 2 4\ndirect\n0.750000 0.750000 0.000000 Ba\n0.250000 0.750001 0.500000 In\n0.750000 0.250000 0.500000 In\n0.181803 0.318198 0.500000 Te\n0.318197 0.818197 0.136395 Te\n0.681803 0.181804 0.863605 Te\n0.818197 0.681803 0.500000 Te\n",
"nsites": 7,
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{
"id": "jvasp-39967",
"created_at": "2022-09-04T14:37:50.857635Z",
"updated_at": "2022-09-04T14:37:50.857664Z",
"structure_string": "Nd2 Cd1 In1\n1.0\n-0.000000 3.853598 3.853598\n3.853598 0.000000 3.853598\n3.853598 3.853598 -0.000000\nNd Cd In\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.499999 0.499999 0.499999 Nd\n0.250000 0.250000 0.250000 Cd\n0.749999 0.749999 0.749999 In\n",
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{
"id": "jvasp-29470",
"created_at": "2022-09-04T14:37:57.407503Z",
"updated_at": "2022-09-04T14:37:57.407523Z",
"structure_string": "Ag2 Pb2 Br2 O2\n1.0\n3.993220 0.000000 0.000000\n-0.000000 3.993220 0.000000\n-0.000000 -0.000000 13.423862\nAg Pb Br O\n2 2 2 2\ndirect\n0.250000 0.250000 0.405119 Ag\n0.750000 0.750000 0.594881 Ag\n0.750000 0.750000 0.090772 Pb\n0.250000 0.250000 0.909228 Pb\n0.750000 0.750000 0.380755 Br\n0.250000 0.250000 0.619245 Br\n0.750000 0.250000 0.000000 O\n0.250000 0.750000 0.000000 O\n",
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"density_atomic": 0.03737369464150723,
"volume": 214.05429879857795,
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"formula_full": "Ag2 Pb2 Br2 O2",
"formula_reduced": "AgPbBrO",
"formula_anonymous": "ABCD",
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"spacegroup": 129
},
{
"id": "jvasp-3828",
"created_at": "2022-09-04T14:35:43.103486Z",
"updated_at": "2022-09-04T14:35:43.103514Z",
"structure_string": "K2 Tc1 Cl6\n1.0\n5.969062 -0.000000 3.446239\n1.989688 5.627685 3.446239\n0.000000 0.000000 6.892479\nK Tc Cl\n2 1 6\ndirect\n0.750000 0.750001 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Tc\n0.242680 0.757320 0.757320 Cl\n0.242680 0.757320 0.242680 Cl\n0.757320 0.242680 0.757320 Cl\n0.757320 0.242680 0.242680 Cl\n0.757320 0.757320 0.242680 Cl\n0.242680 0.242680 0.757320 Cl\n",
"nsites": 9,
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"density": 2.78927941984899,
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"volume": 231.53215926501764,
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"formula_full": "K2 Tc1 Cl6",
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},
{
"id": "jvasp-54946",
"created_at": "2022-09-04T14:38:33.746612Z",
"updated_at": "2022-09-04T14:38:33.746638Z",
"structure_string": "Ba1 Sn5\n1.0\n2.730540 -4.729433 0.000000\n2.730540 4.729433 -0.000000\n0.000000 0.000000 7.173501\nBa Sn\n1 5\ndirect\n0.000000 0.000000 0.500000 Ba\n0.666667 0.333333 0.790131 Sn\n0.000000 0.000000 0.000000 Sn\n0.666667 0.333333 0.209869 Sn\n0.333333 0.666667 0.209869 Sn\n0.333333 0.666667 0.790131 Sn\n",
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{
"id": "jvasp-112939",
"created_at": "2022-09-04T14:38:43.752597Z",
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"structure_string": "Mg16 Al12 O1\n1.0\n8.558098 -0.024980 -2.904176\n-4.045273 7.541713 -2.904176\n-0.014997 -0.024980 9.037425\nMg Al O\n16 12 1\ndirect\n0.464317 0.464317 0.694190 Mg\n0.464318 0.694191 0.464317 Mg\n0.002884 0.329727 0.594364 Mg\n0.006402 0.328751 0.006402 Mg\n0.594364 0.002884 0.329727 Mg\n0.290289 0.701706 0.701705 Mg\n0.701706 0.290289 0.701706 Mg\n0.002884 0.594364 0.329727 Mg\n0.329727 0.594364 0.002884 Mg\n0.329727 0.002884 0.594364 Mg\n0.594365 0.329727 0.002884 Mg\n0.694191 0.464317 0.464317 Mg\n0.806214 0.806213 0.806212 Mg\n0.701707 0.701706 0.290289 Mg\n0.006402 0.006402 0.328751 Mg\n0.328751 0.006402 0.006402 Mg\n0.162015 0.355743 0.355742 Al\n0.639930 0.834579 0.025898 Al\n0.639930 0.025898 0.834579 Al\n0.802566 0.204585 0.204585 Al\n0.204585 0.802565 0.204584 Al\n0.025898 0.834579 0.639929 Al\n0.834580 0.639930 0.025898 Al\n0.355743 0.162015 0.355742 Al\n0.355743 0.355743 0.162015 Al\n0.204585 0.204585 0.802565 Al\n0.834580 0.025898 0.639929 Al\n0.025898 0.639930 0.834579 Al\n0.595715 0.595715 0.595714 O\n",
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{
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"structure_string": "Ni6 O1 F11\n1.0\n3.051954 -0.000000 0.000000\n0.000000 4.699400 0.058155\n0.000000 0.074673 13.665332\nNi O F\n6 1 11\ndirect\n-0.000000 0.974148 0.008721 Ni\n0.499999 0.524014 0.160036 Ni\n-0.000000 0.011840 0.329807 Ni\n0.499999 0.502924 0.498589 Ni\n-0.000000 0.993779 0.667332 Ni\n0.499999 0.485116 0.836027 Ni\n0.499999 0.830576 0.073531 O\n-0.000000 0.314773 0.761548 F\n0.499999 0.815740 0.741456 F\n0.499999 0.170193 0.592206 F\n-0.000000 0.670413 0.573975 F\n-0.000000 0.682701 0.239328 F\n0.499999 0.837073 0.405769 F\n0.499999 0.192936 0.256849 F\n-0.000000 0.666984 0.907334 F\n-0.000000 0.328894 0.092711 F\n-0.000000 0.334359 0.423902 F\n0.499999 0.163530 0.930877 F\n",
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