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{
"id": "mp-552934",
"created_at": "2022-09-04T14:44:08.120408Z",
"structure_string": "Ba2 Cu1 Br1 O2\n1.0\n9.946607 -2.172287 0.000000\n9.946607 2.172287 0.000000\n9.472191 0.000000 3.732483\nBa Cu Br O\n2 1 1 2\ndirect\n0.748452 0.748452 0.748452 Ba\n0.251548 0.251548 0.251548 Ba\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Br\n0.438821 0.438821 0.438821 O\n0.561179 0.561179 0.561179 O\n",
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{
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{
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"created_at": "2022-09-04T14:45:42.584317Z",
"structure_string": "Rb2 Li1 Nd1 I6\n1.0\n0.000000 6.087212 6.087212\n6.087212 0.000000 6.087212\n6.087212 6.087212 0.000000\nRb Li Nd I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Nd\n0.745062 0.254938 0.254938 I\n0.254938 0.254938 0.745062 I\n0.254938 0.745062 0.745062 I\n0.254938 0.745062 0.254938 I\n0.745062 0.254938 0.745062 I\n0.745062 0.745062 0.254938 I\n",
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"volume": 451.11293224323185,
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"formula_full": "Rb2 Li1 Nd1 I6",
"formula_reduced": "Rb2LiNdI6",
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{
"id": "mp-1018678",
"created_at": "2022-09-04T14:47:58.721637Z",
"structure_string": "Cs1 H1 S1 O3\n1.0\n3.419485 -3.251245 0.000000\n3.419485 3.251245 0.000000\n0.328202 0.000000 4.706990\nCs H S O\n1 1 1 3\ndirect\n0.995686 0.995686 0.995686 Cs\n0.597373 0.597373 0.597373 H\n0.439247 0.439247 0.439247 S\n0.519190 0.519190 0.140915 O\n0.140915 0.519190 0.519190 O\n0.519190 0.140915 0.519190 O\n",
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"volume": 104.66070880040837,
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"formula_full": "Cs1 H1 S1 O3",
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"updated_at": "2021-11-28T01:38:27.297000Z",
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{
"id": "mp-3264",
"created_at": "2022-09-04T14:42:27.761045Z",
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{
"id": "mp-1113061",
"created_at": "2022-09-04T14:48:12.801790Z",
"structure_string": "Cs2 K1 Al1 Br6\n1.0\n0.000000 5.724250 5.724250\n5.724250 0.000000 5.724250\n5.724250 5.724250 0.000000\nCs K Al Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Al\n0.778639 0.221361 0.221361 Br\n0.221361 0.221361 0.778639 Br\n0.221361 0.778639 0.778639 Br\n0.221361 0.778639 0.221361 Br\n0.778639 0.221361 0.778639 Br\n0.778639 0.778639 0.221361 Br\n",
"nsites": 10,
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"density_atomic": 0.02665718131231968,
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"formula_full": "Cs2 K1 Al1 Br6",
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"formula_anonymous": "ABC2D6",
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{
"id": "mp-1183778",
"created_at": "2022-09-04T14:42:56.496721Z",
"structure_string": "Dy1 Ru3\n1.0\n4.047296 0.000000 0.000000\n0.000000 4.047296 0.000000\n0.000000 0.000000 4.047296\nDy Ru\n1 3\ndirect\n0.000000 0.000000 0.000000 Dy\n0.000000 0.500000 0.500000 Ru\n0.500000 0.000000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n",
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"formula_full": "Dy1 Ru3",
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{
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"structure_string": "Lu2 Te6\n1.0\n1.959248 -13.923482 0.000000\n1.959248 13.923482 0.000000\n0.000000 0.000000 4.646283\nLu Te\n2 6\ndirect\n0.950616 0.049384 0.250000 Lu\n0.049384 0.950616 0.750000 Lu\n0.837983 0.162017 0.250000 Te\n0.162017 0.837983 0.750000 Te\n0.685045 0.314955 0.250000 Te\n0.314955 0.685045 0.750000 Te\n0.550598 0.449402 0.250000 Te\n0.449402 0.550598 0.750000 Te\n",
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"volume": 253.49705842590458,
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"formula_full": "Lu2 Te6",
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{
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"structure_string": "Na3 As1 Cl6\n1.0\n0.000000 5.179160 5.179160\n5.179160 0.000000 5.179160\n5.179160 5.179160 0.000000\nNa As Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 As\n0.759676 0.240324 0.240324 Cl\n0.240324 0.240324 0.759676 Cl\n0.240324 0.759676 0.759676 Cl\n0.240324 0.759676 0.240324 Cl\n0.759676 0.240324 0.759676 Cl\n0.759676 0.759676 0.240324 Cl\n",
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{
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{
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{
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"structure_string": "Ce2 Te4\n1.0\n4.506471 0.000000 0.000000\n0.000000 4.506471 0.000000\n0.000000 0.000000 9.060938\nCe Te\n2 4\ndirect\n0.500000 0.000000 0.730297 Ce\n0.000000 0.500000 0.269703 Ce\n0.000000 0.000000 0.000000 Te\n0.000000 0.500000 0.629183 Te\n0.500000 0.500000 0.000000 Te\n0.500000 0.000000 0.370817 Te\n",
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"formula_full": "Ce2 Te4",
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]
}