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{
"id": "jvasp-100119",
"created_at": "2022-09-04T14:36:39.470822Z",
"updated_at": "2022-09-04T14:36:39.470842Z",
"structure_string": "Rb3 Ga1 F6\n1.0\n5.535355 -0.000000 3.195839\n1.845118 5.218782 3.195839\n-0.000000 -0.000000 6.391677\nRb Ga F\n3 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500001 Rb\n0.000000 0.000000 0.000000 Ga\n0.787660 0.212340 0.212340 F\n0.212340 0.212340 0.787661 F\n0.212340 0.787660 0.787661 F\n0.212340 0.787660 0.212340 F\n0.787660 0.212340 0.787661 F\n0.787660 0.787660 0.212340 F\n",
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{
"id": "jvasp-100601",
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"structure_string": "Ho1 Er1 Hg2\n1.0\n4.494315 0.000000 2.594794\n1.498105 4.237281 2.594794\n0.000000 0.000000 5.189589\nHo Er Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.499999 Er\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.749999 Hg\n",
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{
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"updated_at": "2022-09-04T14:36:35.449790Z",
"structure_string": "K2 Li1 Sm1 Cl6\n1.0\n6.323330 -0.000000 3.650776\n2.107777 5.961692 3.650776\n-0.000000 -0.000000 7.301552\nK Li Sm Cl\n2 1 1 6\ndirect\n0.750001 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 Sm\n0.741870 0.258131 0.258131 Cl\n0.258131 0.258131 0.741869 Cl\n0.258131 0.741869 0.741870 Cl\n0.258131 0.741869 0.258131 Cl\n0.741870 0.258131 0.741870 Cl\n0.741870 0.741869 0.258131 Cl\n",
"nsites": 10,
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"elements": [
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"volume": 275.252051784425,
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"formula_full": "K2 Li1 Sm1 Cl6",
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"spacegroup": 225
},
{
"id": "jvasp-100120",
"created_at": "2022-09-04T14:36:15.534349Z",
"updated_at": "2022-09-04T14:36:15.534370Z",
"structure_string": "Rb2 Al1 In1 F6\n1.0\n5.434192 -0.000000 3.137433\n1.811398 5.123405 3.137433\n-0.000000 -0.000000 6.274864\nRb Al In F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750001 0.749999 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.499999 In\n0.206869 0.206869 0.793130 F\n0.206869 0.793132 0.793130 F\n0.793131 0.793132 0.206868 F\n0.206869 0.793132 0.206868 F\n0.793131 0.206869 0.793130 F\n0.793131 0.206869 0.206868 F\n",
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],
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"density_atomic": 0.057240315122543475,
"volume": 174.70204310705495,
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"formula_full": "Rb2 Al1 In1 F6",
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"spacegroup": 225
},
{
"id": "jvasp-99459",
"created_at": "2022-09-04T14:36:37.759109Z",
"updated_at": "2022-09-04T14:36:37.759121Z",
"structure_string": "K2 In1 As1 I6\n1.0\n7.338795 -0.000000 4.237055\n2.446265 6.919082 4.237055\n-0.000000 0.000000 8.474110\nK In As I\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500001 In\n0.000000 0.000000 0.000000 As\n0.759202 0.240797 0.240798 I\n0.240797 0.240797 0.759203 I\n0.240796 0.759203 0.759204 I\n0.240796 0.759203 0.240798 I\n0.759202 0.240797 0.759204 I\n0.759202 0.759203 0.240798 I\n",
"nsites": 10,
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],
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"density_atomic": 0.02323981512439015,
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"formula_full": "K2 In1 As1 I6",
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{
"id": "jvasp-1948",
"created_at": "2022-09-04T14:36:35.459830Z",
"updated_at": "2022-09-04T14:36:35.459840Z",
"structure_string": "Cu1 Br1\n1.0\n3.485937 -0.000000 2.012607\n1.161979 3.286573 2.012607\n0.000000 0.000000 4.025213\nCu Br\n1 1\ndirect\n0.250000 0.250000 0.250000 Cu\n0.000000 0.000000 0.000000 Br\n",
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"elements": [
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},
{
"id": "jvasp-100887",
"created_at": "2022-09-04T14:36:37.369021Z",
"updated_at": "2022-09-04T14:36:37.369042Z",
"structure_string": "Rb2 Cu1 Pd1 F6\n1.0\n5.134731 -0.000000 2.964538\n1.711577 4.841071 2.964538\n-0.000000 -0.000000 5.929077\nRb Cu Pd F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750001 Rb\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Pd\n0.256156 0.256156 0.743844 F\n0.256157 0.743843 0.743844 F\n0.743844 0.743843 0.256157 F\n0.256157 0.743843 0.256157 F\n0.743844 0.256156 0.743844 F\n0.743844 0.256156 0.256157 F\n",
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"density_atomic": 0.06785061067859323,
"volume": 147.382608645481,
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"formula_full": "Rb2 Cu1 Pd1 F6",
"formula_reduced": "Rb2CuPdF6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-98198",
"created_at": "2022-09-04T14:36:17.190018Z",
"updated_at": "2022-09-04T14:36:17.190051Z",
"structure_string": "Cd9 Au9\n1.0\n8.268347 0.000001 -0.000000\n-4.134175 7.160598 -0.000000\n0.000000 0.000000 5.903079\nCd Au\n9 9\ndirect\n0.333358 0.314415 0.213086 Cd\n0.333334 0.666667 0.646198 Cd\n0.666667 0.333333 0.500359 Cd\n0.333339 0.980062 0.914413 Cd\n0.000000 0.000000 0.500364 Cd\n0.646724 0.666662 0.914413 Cd\n0.685585 0.018942 0.213086 Cd\n0.981059 0.666643 0.213086 Cd\n0.019939 0.353276 0.914413 Cd\n0.333334 0.666667 0.153716 Au\n0.333305 0.308503 0.712811 Au\n0.975199 0.666695 0.712811 Au\n0.691497 0.024802 0.712811 Au\n0.644769 0.666684 0.416104 Au\n0.021915 0.355231 0.416104 Au\n0.333317 0.978085 0.416104 Au\n0.666667 0.333333 0.994043 Au\n0.000000 0.000000 0.994084 Au\n",
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"elements": [
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],
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},
{
"id": "jvasp-99877",
"created_at": "2022-09-04T14:36:35.087824Z",
"updated_at": "2022-09-04T14:36:35.087839Z",
"structure_string": "Ca2 Tl2 I6\n1.0\n7.815455 0.008166 0.000000\n-6.505270 4.331612 -0.000000\n-0.000000 0.000000 11.619110\nCa Tl I\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.254696 0.745303 0.250000 Tl\n0.745303 0.254697 0.750000 Tl\n0.638506 0.361494 0.054093 I\n0.361493 0.638507 0.945907 I\n0.361493 0.638507 0.554093 I\n0.638506 0.361494 0.445907 I\n0.929160 0.070841 0.250000 I\n0.070840 0.929160 0.750000 I\n",
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],
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"volume": 393.9649880037921,
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},
{
"id": "jvasp-101482",
"created_at": "2022-09-04T14:36:35.483015Z",
"updated_at": "2022-09-04T14:36:35.483041Z",
"structure_string": "K3 Pd1 F6\n1.0\n5.472310 -0.000000 3.159440\n1.824103 5.159343 3.159440\n-0.000000 -0.000000 6.318879\nK Pd F\n3 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Pd\n0.772401 0.227598 0.227599 F\n0.227598 0.227598 0.772402 F\n0.227598 0.772401 0.772402 F\n0.227598 0.772401 0.227599 F\n0.772401 0.227598 0.772402 F\n0.772401 0.772401 0.227599 F\n",
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{
"id": "jvasp-91881",
"created_at": "2022-09-04T14:36:13.449012Z",
"updated_at": "2022-09-04T14:36:13.449037Z",
"structure_string": "Mg7 Mn1\n1.0\n6.272723 0.000000 0.000000\n-3.136361 5.432337 0.000000\n-0.000000 -0.000000 4.967297\nMg Mn\n7 1\ndirect\n0.167337 0.833669 0.250000 Mg\n0.666332 0.332663 0.250000 Mg\n0.666332 0.833669 0.250000 Mg\n0.327462 0.172538 0.750001 Mg\n0.327463 0.654927 0.750001 Mg\n0.845073 0.172538 0.750001 Mg\n0.833333 0.666667 0.750001 Mg\n0.166667 0.333333 0.250000 Mn\n",
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{
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"structure_string": "Mg7 Bi1\n1.0\n6.462675 -0.000000 0.000000\n-3.231338 5.596841 0.000000\n-0.000000 -0.000000 5.270523\nMg Bi\n7 1\ndirect\n0.163710 0.831854 0.250000 Mg\n0.668146 0.336289 0.250000 Mg\n0.668146 0.831854 0.250000 Mg\n0.339652 0.160348 0.750000 Mg\n0.339652 0.679306 0.750000 Mg\n0.820695 0.160348 0.750000 Mg\n0.833333 0.666667 0.750000 Mg\n0.166667 0.333333 0.250000 Bi\n",
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}