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{
"id": "jvasp-65011",
"created_at": "2022-09-04T14:35:49.892344Z",
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"structure_string": "Sr1 Mg4 Be1\n1.0\n0.000000 4.242342 4.242342\n4.242342 0.000000 4.242342\n4.242342 4.242342 -0.000000\nSr Mg Be\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.122625 0.625792 0.625792 Mg\n0.625792 0.625792 0.625792 Mg\n0.625792 0.122625 0.625792 Mg\n0.625792 0.625792 0.122625 Mg\n0.000000 0.000000 0.000000 Be\n",
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{
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"structure_string": "Mg10 Tl4\n1.0\n5.777345 -0.000226 -2.228512\n-1.212274 6.560206 -3.138153\n0.007768 -0.017831 8.613445\nMg Tl\n10 4\ndirect\n0.413826 0.075542 0.827894 Mg\n0.482628 0.732567 0.465024 Mg\n0.249982 0.500027 0.000021 Mg\n0.086073 0.247700 0.172090 Mg\n0.586175 0.924458 0.172106 Mg\n0.517372 0.267433 0.534976 Mg\n0.017396 0.267555 0.534919 Mg\n0.982604 0.732445 0.465082 Mg\n0.913927 0.752300 0.827910 Mg\n0.750018 0.499973 -0.000020 Mg\n0.622335 0.354148 0.244715 Tl\n0.877595 0.109378 0.755210 Tl\n0.122405 0.890622 0.244790 Tl\n0.377665 0.645853 0.755285 Tl\n",
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{
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"updated_at": "2022-09-04T14:35:54.278027Z",
"structure_string": "Sr2 Cd4 Pd2\n1.0\n4.469896 -0.000000 -0.000000\n-2.234948 5.331229 0.000000\n-0.000000 0.000000 8.140413\nSr Cd Pd\n2 4 2\ndirect\n0.065965 0.131930 0.250000 Sr\n0.934035 0.868070 0.750000 Sr\n0.355629 0.711257 0.445229 Cd\n0.644372 0.288743 0.554770 Cd\n0.355629 0.711257 0.054771 Cd\n0.644372 0.288743 0.945229 Cd\n0.779052 0.558104 0.250000 Pd\n0.220948 0.441896 0.750000 Pd\n",
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"spacegroup": 63
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{
"id": "jvasp-36921",
"created_at": "2022-09-04T14:35:49.288286Z",
"updated_at": "2022-09-04T14:35:49.288312Z",
"structure_string": "Ni1 Ag1 F3\n1.0\n3.978137 -0.008798 -0.000567\n0.010077 3.978359 -0.004888\n0.001824 0.004250 3.977905\nNi Ag F\n1 1 3\ndirect\n0.511878 0.502154 0.500002 Ni\n0.011998 0.001972 0.000003 Ag\n0.511997 0.501817 0.000003 F\n0.011943 0.501963 0.500033 F\n0.512181 0.002096 0.499958 F\n",
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{
"id": "jvasp-92196",
"created_at": "2022-09-04T14:35:54.647536Z",
"updated_at": "2022-09-04T14:35:54.647561Z",
"structure_string": "Mg6 Fe1 Ni1\n1.0\n6.052066 -0.072172 0.000000\n-3.088536 5.205157 0.000000\n0.000000 0.000000 4.709630\nMg Fe Ni\n6 1 1\ndirect\n0.174138 0.851040 0.250000 Mg\n0.648961 0.325863 0.250000 Mg\n0.666822 0.833179 0.250000 Mg\n0.327266 0.646109 0.750000 Mg\n0.853892 0.172735 0.750000 Mg\n0.832970 0.667031 0.750000 Mg\n0.184409 0.315592 0.250000 Fe\n0.311545 0.188455 0.750000 Ni\n",
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"spacegroup": 38
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{
"id": "jvasp-87957",
"created_at": "2022-09-04T14:35:52.480567Z",
"updated_at": "2022-09-04T14:35:52.480585Z",
"structure_string": "Tl8 Hg2 I12\n1.0\n9.305157 -0.000000 0.000000\n-0.000000 9.440187 0.000000\n0.000000 0.000000 9.440187\nTl Hg I\n8 2 12\ndirect\n0.250000 0.351978 0.851978 Tl\n0.250000 0.851978 0.648023 Tl\n0.250000 0.648023 0.148022 Tl\n0.750000 0.648023 0.148022 Tl\n0.750000 0.851978 0.648023 Tl\n0.750000 0.148022 0.351978 Tl\n0.750000 0.351978 0.851978 Tl\n0.250000 0.148022 0.351978 Tl\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n0.204468 0.500000 0.500000 I\n0.500000 0.358365 0.171488 I\n0.795532 0.500000 0.500000 I\n0.000000 0.328513 0.141635 I\n0.000000 0.858365 0.328513 I\n0.000000 0.141635 0.671488 I\n0.000000 0.671488 0.858365 I\n0.500000 0.828513 0.358365 I\n0.500000 0.171488 0.641636 I\n0.500000 0.641636 0.828513 I\n0.704468 0.000000 0.000000 I\n0.295532 0.000000 0.000000 I\n",
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"elements": [
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"volume": 829.2488915756899,
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{
"id": "jvasp-93514",
"created_at": "2022-09-04T14:35:49.219216Z",
"updated_at": "2022-09-04T14:35:49.219240Z",
"structure_string": "Nd2 Tl2 Zn2\n1.0\n4.760961 0.000000 0.000000\n-2.380481 4.123257 -0.000000\n0.000000 -0.000000 7.607404\nNd Tl Zn\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Nd\n0.000000 0.000000 0.000000 Nd\n0.333336 0.666673 0.250000 Tl\n0.666664 0.333328 0.750000 Tl\n0.333333 0.666666 0.750000 Zn\n0.666667 0.333335 0.250000 Zn\n",
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"volume": 149.3384053011861,
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"formula_full": "Nd2 Tl2 Zn2",
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"formula_anonymous": "ABC",
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"spacegroup": 194
},
{
"id": "jvasp-105615",
"created_at": "2022-09-04T14:35:49.223176Z",
"updated_at": "2022-09-04T14:35:49.223197Z",
"structure_string": "K3 Sm1 Cl6\n1.0\n6.829723 0.000000 3.943142\n2.276574 6.439125 3.943142\n0.000000 0.000000 7.886284\nK Sm Cl\n3 1 6\ndirect\n0.749999 0.749999 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Sm\n0.760442 0.239558 0.239558 Cl\n0.239558 0.239558 0.760442 Cl\n0.239557 0.760442 0.760442 Cl\n0.239557 0.760442 0.239558 Cl\n0.760442 0.239558 0.760442 Cl\n0.760442 0.760442 0.239558 Cl\n",
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"volume": 346.81858231918113,
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"formula_full": "K3 Sm1 Cl6",
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"spacegroup": 225
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{
"id": "jvasp-65656",
"created_at": "2022-09-04T14:36:02.643803Z",
"updated_at": "2022-09-04T14:36:02.643823Z",
"structure_string": "Ba1 Na2 Ga1\n1.0\n4.202624 -0.000000 -0.000000\n-0.000000 4.202624 0.000000\n0.000000 0.000000 7.672023\nBa Na Ga\n1 2 1\ndirect\n0.499999 0.499999 0.000000 Ba\n0.000000 0.000000 0.687585 Na\n0.000000 0.000000 0.312415 Na\n0.499999 0.499999 0.500000 Ga\n",
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{
"id": "jvasp-65546",
"created_at": "2022-09-04T14:36:02.130527Z",
"updated_at": "2022-09-04T14:36:02.130555Z",
"structure_string": "Ba1 Na2 In1\n1.0\n4.306113 0.000000 0.000000\n-0.000000 4.308640 0.000000\n0.000000 0.000000 7.811798\nBa Na In\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.694423 Na\n0.000000 0.000000 0.305577 Na\n0.500000 0.500000 0.500000 In\n",
"nsites": 4,
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{
"id": "jvasp-94083",
"created_at": "2022-09-04T14:35:49.230096Z",
"updated_at": "2022-09-04T14:35:49.230117Z",
"structure_string": "Ba1 Mg6 V1\n1.0\n6.604689 0.000411 0.000000\n-3.301988 5.720033 0.000000\n0.000000 0.000000 5.161138\nBa Mg V\n1 6 1\ndirect\n0.416670 0.083330 0.750000 Ba\n0.062425 0.906123 0.250000 Mg\n0.593876 0.437574 0.250000 Mg\n0.593840 0.906159 0.250000 Mg\n0.387371 0.568696 0.750000 Mg\n0.931303 0.112628 0.750000 Mg\n0.931246 0.568753 0.750000 Mg\n0.083265 0.416735 0.250000 V\n",
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{
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"created_at": "2022-09-04T14:36:02.660133Z",
"updated_at": "2022-09-04T14:36:02.660156Z",
"structure_string": "Tl8 Hg2 Br12\n1.0\n8.825389 0.000000 0.000000\n-0.000000 8.929299 0.000000\n0.000000 0.000000 8.929299\nTl Hg Br\n8 2 12\ndirect\n0.750000 0.148059 0.351941 Tl\n0.250000 0.148059 0.351941 Tl\n0.250000 0.648059 0.148059 Tl\n0.250000 0.351941 0.851941 Tl\n0.250000 0.851941 0.648059 Tl\n0.750000 0.851941 0.648059 Tl\n0.750000 0.351941 0.851941 Tl\n0.750000 0.648059 0.148059 Tl\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.207586 0.500000 0.500000 Br\n0.500000 0.358675 0.177943 Br\n0.792414 0.500000 0.500000 Br\n0.000000 0.322058 0.141325 Br\n0.000000 0.858675 0.322058 Br\n0.000000 0.141325 0.677943 Br\n0.000000 0.677943 0.858675 Br\n0.500000 0.822058 0.358675 Br\n0.500000 0.177943 0.641325 Br\n0.500000 0.641325 0.822058 Br\n0.707586 0.000000 0.000000 Br\n0.292414 0.000000 0.000000 Br\n",
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