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{
"id": "jvasp-40288",
"created_at": "2022-09-04T14:37:47.046421Z",
"updated_at": "2022-09-04T14:37:47.046432Z",
"structure_string": "Sr1 Cd1 Hg2\n1.0\n-0.000000 3.761821 3.761821\n3.761821 -0.000000 3.761821\n3.761821 3.761821 -0.000000\nSr Cd Hg\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Sr\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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"structure_string": "Th2 Cl8\n1.0\n5.845514 0.000187 -2.596600\n-1.153412 5.730608 -2.596852\n0.020347 0.024503 7.923518\nTh Cl\n2 8\ndirect\n0.124996 0.375003 0.250000 Th\n0.875004 0.624998 0.750001 Th\n0.460184 0.324800 0.596831 Cl\n0.727961 0.039816 0.903166 Cl\n0.824800 0.636651 0.096835 Cl\n0.272039 0.960184 0.096834 Cl\n0.175200 0.363349 0.903165 Cl\n0.539816 0.675200 0.403169 Cl\n0.863358 0.227967 0.403170 Cl\n0.136643 0.772033 0.596831 Cl\n",
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{
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"structure_string": "Ba2 In4 Ir2\n1.0\n4.410352 -0.000000 -0.000000\n-2.205176 5.862457 0.000000\n-0.000000 0.000000 8.235899\nBa In Ir\n2 4 2\ndirect\n0.944848 0.889700 0.250000 Ba\n0.055150 0.110301 0.750000 Ba\n0.338427 0.676856 0.554379 In\n0.661572 0.323144 0.445622 In\n0.338427 0.676856 0.945622 In\n0.661572 0.323144 0.054379 In\n0.779282 0.558565 0.750000 Ir\n0.220717 0.441435 0.250000 Ir\n",
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{
"id": "jvasp-16418",
"created_at": "2022-09-04T14:38:33.483325Z",
"updated_at": "2022-09-04T14:38:33.483347Z",
"structure_string": "Y6 Fe1 Sb2\n1.0\n4.097815 -7.097624 0.000000\n4.097815 7.097624 -0.000000\n0.000000 -0.000000 4.118347\nY Fe Sb\n6 1 2\ndirect\n-0.000000 0.234034 0.000000 Y\n0.400110 0.400110 0.500000 Y\n0.599889 -0.000000 0.500000 Y\n0.234034 -0.000000 0.000000 Y\n0.765965 0.765965 0.000000 Y\n-0.000000 0.599889 0.500000 Y\n0.000000 0.000000 0.500000 Fe\n0.333333 0.666666 0.000000 Sb\n0.666666 0.333333 0.000000 Sb\n",
"nsites": 9,
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"volume": 239.56218657065168,
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"formula_full": "Y6 Fe1 Sb2",
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"formula_anonymous": "AB2C6",
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"spacegroup": 189
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{
"id": "jvasp-106271",
"created_at": "2022-09-04T14:38:38.022096Z",
"updated_at": "2022-09-04T14:38:38.022116Z",
"structure_string": "Pm2 Al1 Cd1\n1.0\n4.607372 -0.000000 2.660068\n1.535791 4.343872 2.660068\n0.000000 -0.000000 5.320135\nPm Al Cd\n2 1 1\ndirect\n0.250000 0.250000 0.250001 Pm\n0.750000 0.750000 0.750002 Pm\n0.500000 0.500000 0.500001 Al\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"density": 6.696542663904047,
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"volume": 106.47629994134316,
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{
"id": "jvasp-86991",
"created_at": "2022-09-04T14:35:58.399866Z",
"updated_at": "2022-09-04T14:35:58.399888Z",
"structure_string": "K2 Zn2 As2\n1.0\n4.264727 0.000000 0.000000\n-2.132364 3.693362 -0.000000\n0.000000 0.000000 10.140129\nK Zn As\n2 2 2\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.333334 0.666667 0.750000 Zn\n0.666668 0.333333 0.250000 Zn\n0.333334 0.666667 0.250000 As\n0.666668 0.333333 0.750000 As\n",
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"spacegroup": 194
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{
"id": "jvasp-55527",
"created_at": "2022-09-04T14:37:06.262755Z",
"updated_at": "2022-09-04T14:37:06.262783Z",
"structure_string": "P4 Pb4 Se12\n1.0\n0.000000 7.046857 -0.001882\n7.700721 0.000000 0.000000\n0.000000 -6.723276 -9.809311\nP Pb Se\n4 4 12\ndirect\n0.879020 0.141133 0.715401 P\n0.879020 0.858867 0.215401 P\n0.126641 0.358849 0.842798 P\n0.126641 0.641151 0.342798 P\n0.785715 0.639957 0.526198 Pb\n0.219946 0.139972 0.532016 Pb\n0.219946 0.860028 0.032016 Pb\n0.785715 0.360043 0.026198 Pb\n0.112478 0.059392 0.223432 Se\n0.380192 0.247866 0.046810 Se\n0.726449 0.956052 0.324392 Se\n0.112478 0.940608 0.723432 Se\n0.625470 0.747884 0.011388 Se\n0.893178 0.559377 0.834757 Se\n0.726449 0.043948 0.824392 Se\n0.893178 0.440623 0.334757 Se\n0.380191 0.752134 0.546810 Se\n0.279211 0.543961 0.233807 Se\n0.625469 0.252116 0.511388 Se\n0.279211 0.456039 0.733807 Se\n",
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"elements": [
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"volume": 532.4083293127148,
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"formula_full": "P4 Pb4 Se12",
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"formula_anonymous": "ABC3",
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"spacegroup": 14
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{
"id": "jvasp-29218",
"created_at": "2022-09-04T14:37:47.931785Z",
"updated_at": "2022-09-04T14:37:47.931808Z",
"structure_string": "P4 Pb4 Se12\n1.0\n7.043924 0.000000 -0.204777\n0.000000 7.700419 0.000000\n-0.040970 0.000000 9.816773\nP Pb Se\n4 4 12\ndirect\n0.836377 0.141125 0.715400 P\n0.336377 0.858875 0.215401 P\n0.716159 0.358849 0.842789 P\n0.216159 0.641151 0.342789 P\n0.312098 0.139989 0.532078 Pb\n0.740467 0.639964 0.526173 Pb\n0.812098 0.860012 0.032078 Pb\n0.240467 0.360036 0.026173 Pb\n0.885938 0.252123 0.511389 Se\n0.441574 0.440620 0.334754 Se\n0.610950 0.940602 0.723428 Se\n0.597930 0.956084 0.324377 Se\n0.666594 0.247851 0.046798 Se\n0.110950 0.059399 0.223428 Se\n0.166594 0.752149 0.546798 Se\n0.454608 0.456069 0.733810 Se\n0.941574 0.559380 0.834754 Se\n0.954608 0.543931 0.233810 Se\n0.097930 0.043916 0.824377 Se\n0.385939 0.747877 0.011389 Se\n",
"nsites": 20,
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{
"id": "jvasp-79582",
"created_at": "2022-09-04T14:37:12.589113Z",
"updated_at": "2022-09-04T14:37:12.589123Z",
"structure_string": "Sb2 S2\n1.0\n2.704086 -3.034872 0.100933\n-3.168137 -2.889360 -2.016785\n-2.332104 -2.325504 -7.653739\nSb S\n2 2\ndirect\n0.750155 0.106714 0.653363 Sb\n0.249845 0.893284 0.346638 Sb\n0.250272 0.569591 0.755724 S\n0.749728 0.430407 0.244276 S\n",
"nsites": 4,
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{
"id": "jvasp-117636",
"created_at": "2022-09-04T14:38:51.756400Z",
"updated_at": "2022-09-04T14:38:51.756423Z",
"structure_string": "Y1 Be1 Br1\n1.0\n5.142576 -0.000000 -0.000000\n-2.571288 4.453601 0.000000\n-0.000000 -0.000000 3.487587\nY Be Br\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Y\n0.000000 0.000000 0.000000 Be\n0.333332 0.666666 0.000000 Br\n",
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{
"id": "jvasp-106201",
"created_at": "2022-09-04T14:38:15.720483Z",
"updated_at": "2022-09-04T14:38:15.720502Z",
"structure_string": "K2 Li1 Dy1 Cl6\n1.0\n6.253708 0.000000 3.610580\n2.084569 5.896052 3.610580\n0.000000 0.000000 7.221159\nK Li Dy Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Dy\n0.744650 0.255350 0.255350 Cl\n0.255351 0.255350 0.744650 Cl\n0.255351 0.744649 0.744650 Cl\n0.255351 0.744649 0.255351 Cl\n0.744650 0.255350 0.744649 Cl\n0.744650 0.744649 0.255351 Cl\n",
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{
"id": "jvasp-117777",
"created_at": "2022-09-04T14:38:51.494060Z",
"updated_at": "2022-09-04T14:38:51.494073Z",
"structure_string": "Cd1 Se1 Br1\n1.0\n5.266949 -0.000000 -0.000000\n-2.633475 4.561312 0.000000\n0.000000 -0.000000 3.324909\nCd Se Br\n1 1 1\ndirect\n0.333334 0.666667 0.000000 Cd\n0.666667 0.333333 0.000000 Se\n0.000000 0.000000 0.000000 Br\n",
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}