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{
"id": "jvasp-105613",
"created_at": "2022-09-04T14:35:42.747380Z",
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"structure_string": "K2 Na1 Au1 Cl6\n1.0\n6.290325 -0.000000 3.631720\n2.096775 5.930574 3.631720\n0.000000 0.000000 7.263441\nK Na Au Cl\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Au\n0.757401 0.242599 0.242599 Cl\n0.242599 0.242599 0.757401 Cl\n0.242599 0.757401 0.757401 Cl\n0.242599 0.757401 0.242599 Cl\n0.757401 0.242599 0.757401 Cl\n0.757401 0.757401 0.242599 Cl\n",
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{
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"structure_string": "Y1 Mg6 Cu1\n1.0\n6.679825 -0.284874 0.000000\n-3.586621 5.642461 0.000000\n0.000000 0.000000 4.874415\nY Mg Cu\n1 6 1\ndirect\n0.195920 0.304080 0.250000 Y\n0.176335 0.823520 0.250000 Mg\n0.676480 0.323666 0.250000 Mg\n0.655033 0.844967 0.250000 Mg\n0.314115 0.682615 0.749999 Mg\n0.817385 0.185886 0.749999 Mg\n0.810465 0.689536 0.749999 Mg\n0.354265 0.145735 0.749999 Cu\n",
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{
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"created_at": "2022-09-04T14:35:44.842419Z",
"updated_at": "2022-09-04T14:35:44.842451Z",
"structure_string": "Ba8 Br12 O2\n1.0\n10.412649 0.000000 0.000000\n-5.206325 9.017619 -0.000000\n0.000000 -0.000000 7.902812\nBa Br O\n8 12 2\ndirect\n0.198366 0.801634 -0.000917 Ba\n0.333333 0.666667 0.420931 Ba\n0.603268 0.801634 -0.000917 Ba\n0.801634 0.198366 0.499083 Ba\n0.396732 0.198366 0.499083 Ba\n0.801634 0.603268 0.499083 Ba\n0.666667 0.333333 0.920930 Ba\n0.198366 0.396732 -0.000917 Ba\n0.940378 0.470189 0.207818 Br\n0.470189 0.529811 0.707818 Br\n0.529811 0.059622 0.207818 Br\n0.141650 0.858349 0.394846 Br\n0.470189 0.940378 0.707818 Br\n0.059621 0.529811 0.707818 Br\n0.141650 0.283301 0.394846 Br\n0.858349 0.716699 0.894846 Br\n0.283301 0.141651 0.894846 Br\n0.529811 0.470189 0.207818 Br\n0.716699 0.858349 0.394846 Br\n0.858349 0.141651 0.894846 Br\n0.333333 0.666667 0.099395 O\n0.666667 0.333333 0.599395 O\n",
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"density_atomic": 0.02964748916660778,
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{
"id": "jvasp-94095",
"created_at": "2022-09-04T14:35:43.691817Z",
"updated_at": "2022-09-04T14:35:43.691834Z",
"structure_string": "Mg6 Ga1 Ni1\n1.0\n6.028132 0.049540 0.000000\n-2.971163 5.245285 0.000000\n0.000000 0.000000 4.808691\nMg Ga Ni\n6 1 1\ndirect\n0.164088 0.844999 0.250000 Mg\n0.655000 0.335912 0.250000 Mg\n0.662624 0.837375 0.250000 Mg\n0.329461 0.638685 0.750000 Mg\n0.861314 0.170539 0.750000 Mg\n0.836026 0.663973 0.750000 Mg\n0.335866 0.164134 0.750000 Ga\n0.155622 0.344378 0.250000 Ni\n",
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{
"id": "jvasp-3648",
"created_at": "2022-09-04T14:35:49.009044Z",
"updated_at": "2022-09-04T14:35:49.009071Z",
"structure_string": "Hg2 Br4\n1.0\n4.149853 -0.121358 0.000000\n-1.632661 3.817122 0.000000\n0.000000 0.000000 12.469954\nHg Br\n2 4\ndirect\n0.660966 0.339033 0.500213 Hg\n0.339034 0.660966 0.000213 Hg\n0.607454 0.392545 0.134364 Br\n0.392545 0.607454 0.634364 Br\n0.071343 0.928656 0.865422 Br\n0.928656 0.071343 0.365422 Br\n",
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"elements": [
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{
"id": "jvasp-3843",
"created_at": "2022-09-04T14:35:51.721699Z",
"updated_at": "2022-09-04T14:35:51.721712Z",
"structure_string": "K2 Tl2 O2\n1.0\n3.520590 0.000000 -0.990525\n-0.493436 6.007240 -1.753804\n-0.020774 -0.042956 6.677981\nK Tl O\n2 2 2\ndirect\n0.130219 0.345788 0.260436 K\n0.869782 0.654211 0.739563 K\n0.634245 0.846282 0.268490 Tl\n0.365755 0.153718 0.731509 Tl\n0.750677 0.220814 0.501352 O\n0.249323 0.779186 0.498648 O\n",
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{
"id": "jvasp-63821",
"created_at": "2022-09-04T14:36:00.500544Z",
"updated_at": "2022-09-04T14:36:00.500571Z",
"structure_string": "Na4 Bi2 Au2\n1.0\n3.807879 -4.730885 0.000000\n3.807879 4.730885 0.000000\n-0.000000 0.000000 5.965186\nNa Bi Au\n4 2 2\ndirect\n0.863084 0.503513 0.750001 Na\n0.136916 0.496487 0.250000 Na\n0.503513 0.863084 0.750001 Na\n0.496487 0.136916 0.250000 Na\n0.314059 0.314059 0.750001 Bi\n0.685942 0.685942 0.250000 Bi\n0.000000 0.000000 0.000000 Au\n0.000000 0.000000 0.500000 Au\n",
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"formula_full": "Na4 Bi2 Au2",
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"spacegroup": 63
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{
"id": "jvasp-70396",
"created_at": "2022-09-04T14:35:56.571262Z",
"updated_at": "2022-09-04T14:35:56.571287Z",
"structure_string": "K2 Ca2 Be1\n1.0\n-2.376390 2.376390 10.792089\n2.376390 -2.376390 10.792089\n2.376390 2.376390 -10.792089\nK Ca Be\n2 2 1\ndirect\n0.584700 0.584700 0.000000 K\n0.415300 0.415300 0.000000 K\n0.750000 0.250000 0.500000 Ca\n0.250000 0.750000 0.500000 Ca\n0.000000 0.000000 0.000000 Be\n",
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{
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"created_at": "2022-09-04T14:36:04.426616Z",
"updated_at": "2022-09-04T14:36:04.426633Z",
"structure_string": "K1 Ba1 In1\n1.0\n-0.000000 4.155084 4.155084\n4.155084 -0.000000 4.155084\n4.155084 4.155084 -0.000000\nK Ba In\n1 1 1\ndirect\n0.500000 0.500000 0.500000 K\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 In\n",
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{
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"created_at": "2022-09-04T14:35:52.944329Z",
"updated_at": "2022-09-04T14:35:52.944361Z",
"structure_string": "K4 Au4 I16\n1.0\n6.983723 0.000000 0.000000\n0.000000 9.472479 -2.125457\n0.000000 -0.360195 14.219529\nK Au I\n4 4 16\ndirect\n0.066645 0.806386 0.316550 K\n0.566645 0.193614 0.183450 K\n0.933355 0.193614 0.683450 K\n0.433355 0.806386 0.816550 K\n0.000000 0.500000 -0.000000 Au\n0.500000 0.500000 0.500000 Au\n0.500000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.298469 0.157571 0.964550 I\n0.798469 0.842430 0.535450 I\n0.701531 0.842430 0.035450 I\n0.073286 0.087499 0.190304 I\n0.155371 0.504847 0.828739 I\n0.655371 0.495154 0.671261 I\n0.844628 0.495153 0.171261 I\n0.344629 0.504847 0.328739 I\n0.700301 0.355629 0.908524 I\n0.200301 0.644372 0.591476 I\n0.299699 0.644372 0.091476 I\n0.799699 0.355628 0.408524 I\n0.426714 0.087500 0.690304 I\n0.926713 0.912501 0.809696 I\n0.573286 0.912501 0.309696 I\n0.201531 0.157571 0.464550 I\n",
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{
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"created_at": "2022-09-04T14:35:46.885913Z",
"updated_at": "2022-09-04T14:35:46.885930Z",
"structure_string": "Ba2 Mg1 Ga1\n1.0\n0.000000 4.187741 4.187741\n4.187741 0.000000 4.187741\n4.187741 4.187741 -0.000000\nBa Mg Ga\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Ga\n",
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{
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"structure_string": "Sm2 O2 F2\n1.0\n3.751105 0.000575 5.761764\n1.710724 3.338294 5.761764\n0.000941 0.000575 6.875224\nSm O F\n2 2 2\ndirect\n0.758169 0.758172 0.758171 Sm\n0.241828 0.241829 0.241829 Sm\n0.878402 0.878406 0.878404 O\n0.121595 0.121596 0.121595 O\n0.369753 0.369755 0.369754 F\n0.630243 0.630246 0.630245 F\n",
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