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{
"id": "mp-989191",
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"structure_string": "Sb2 O2 F2\n1.0\n3.912252 0.000000 0.000000\n0.000000 3.912252 0.000000\n0.000000 0.000000 5.693631\nSb O F\n2 2 2\ndirect\n0.000000 0.500000 0.713381 Sb\n0.500000 0.000000 0.286619 Sb\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.000000 F\n",
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{
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{
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"created_at": "2022-09-04T14:48:20.798562Z",
"structure_string": "Ba2 Cu1 S2 Cl2\n1.0\n-2.331468 2.331468 8.590620\n2.331468 -2.331468 8.590620\n2.331468 2.331468 -8.590620\nBa Cu S Cl\n2 1 2 2\ndirect\n0.626896 0.626896 0.000000 Ba\n0.373104 0.373104 0.000000 Ba\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 S\n0.500000 0.000000 0.500000 S\n0.185061 0.185061 0.000000 Cl\n0.814939 0.814939 0.000000 Cl\n",
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"formula_full": "Ba2 Cu1 S2 Cl2",
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"spacegroup": 139
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{
"id": "mp-1110748",
"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",
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{
"id": "mp-1219978",
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"structure_string": "Pr1 Ga2 Co3\n1.0\n2.679395 -4.640848 0.000000\n2.679395 4.640848 0.000000\n0.000000 0.000000 3.737016\nPr Ga Co\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Pr\n0.666667 0.333333 0.000000 Ga\n0.333333 0.666667 0.000000 Ga\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n",
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"spacegroup": 191
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{
"id": "mp-1079196",
"created_at": "2022-09-04T14:40:12.941930Z",
"structure_string": "Sn2 Pb2 S4\n1.0\n3.775833 0.000000 0.000000\n0.000000 6.346719 0.000000\n0.000000 0.000000 25.574326\nSn Pb S\n2 2 4\ndirect\n0.077413 0.500000 0.404739 Sn\n0.922587 0.500000 0.904739 Sn\n0.918029 0.500000 0.593605 Pb\n0.081971 0.500000 0.093605 Pb\n0.578686 0.500000 0.341842 S\n0.421314 0.500000 0.841842 S\n0.417838 0.500000 0.660314 S\n0.582162 0.500000 0.160314 S\n",
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"volume": 612.8670110594808,
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"formula_full": "Sn2 Pb2 S4",
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{
"id": "mp-1179028",
"created_at": "2022-09-04T14:39:59.416784Z",
"structure_string": "Tl1 Cu3 Pb1 Se4\n1.0\n6.232701 0.000000 0.000000\n0.000000 6.232701 0.000000\n0.000000 0.000000 6.232701\nTl Cu Pb Se\n1 3 1 4\ndirect\n0.000000 0.000000 0.000000 Tl\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Pb\n0.244611 0.244611 0.244611 Se\n0.755389 0.755389 0.244611 Se\n0.244611 0.755389 0.755389 Se\n0.755389 0.244611 0.755389 Se\n",
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"volume": 242.11900429944953,
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"formula_full": "Tl1 Cu3 Pb1 Se4",
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{
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"created_at": "2022-09-04T14:47:30.721722Z",
"structure_string": "Ce3 Al1 N1\n1.0\n4.868027 0.000000 0.000000\n0.000000 4.868027 0.000000\n0.000000 0.000000 4.868027\nCe Al N\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ce\n0.500000 0.000000 0.500000 Ce\n0.500000 0.500000 0.000000 Ce\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 N\n",
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"formula_full": "Ce3 Al1 N1",
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{
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"structure_string": "Pm6 Ag2\n1.0\n3.525543 -6.106419 0.000000\n3.525543 6.106419 0.000000\n0.000000 0.000000 5.449088\nPm Ag\n6 2\ndirect\n0.174198 0.348395 0.250000 Pm\n0.651605 0.825802 0.250000 Pm\n0.174198 0.825802 0.250000 Pm\n0.825802 0.651605 0.750000 Pm\n0.348395 0.174198 0.750000 Pm\n0.825802 0.174198 0.750000 Pm\n0.333333 0.666667 0.750000 Ag\n0.666667 0.333333 0.250000 Ag\n",
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{
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"structure_string": "Ce1 In1 Ni4\n1.0\n0.000000 3.532083 3.532083\n3.532083 0.000000 3.532083\n3.532083 3.532083 0.000000\nCe In Ni\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.250000 0.250000 0.250000 In\n0.623959 0.623959 0.623959 Ni\n0.623959 0.623959 0.128122 Ni\n0.623959 0.128122 0.623959 Ni\n0.128122 0.623959 0.623959 Ni\n",
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{
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{
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"structure_string": "K2 Al1 Tl1 Br6\n1.0\n0.000000 5.675044 5.675044\n5.675044 0.000000 5.675044\n5.675044 5.675044 0.000000\nK Al Tl Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Tl\n0.777448 0.222552 0.222552 Br\n0.222552 0.222552 0.777448 Br\n0.222552 0.777448 0.777448 Br\n0.222552 0.777448 0.222552 Br\n0.777448 0.222552 0.777448 Br\n0.777448 0.777448 0.222552 Br\n",
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"volume": 365.5423461009209,
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"formula_full": "K2 Al1 Tl1 Br6",
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]
}