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{
"id": "mp-1391273",
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"structure_string": "Zn1 Ni1 F6\n1.0\n4.639225 -2.577186 0.000000\n4.639225 2.577186 0.000000\n3.207545 0.000000 4.227996\nZn Ni F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Ni\n0.863636 0.232730 0.666686 F\n0.232730 0.666686 0.863636 F\n0.333314 0.136364 0.767270 F\n0.767270 0.333314 0.136364 F\n0.136364 0.767270 0.333314 F\n0.666686 0.863636 0.232730 F\n",
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{
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"spacegroup": 187
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{
"id": "mp-1226986",
"created_at": "2022-09-04T14:40:16.396640Z",
"structure_string": "Cd3 In2 Te6\n1.0\n0.000000 0.000000 -6.427923\n6.425383 -6.564005 0.000000\n-3.237229 -6.585241 -3.213961\nCd In Te\n3 2 6\ndirect\n0.990724 0.989167 0.013502 Cd\n0.366293 0.166667 0.333333 Cd\n0.670893 0.344166 0.653165 Cd\n0.985186 0.505174 0.002147 In\n0.654000 0.828159 0.664520 In\n0.259735 0.738444 0.023993 Te\n0.558517 0.889348 0.338537 Te\n0.917559 0.081605 0.665417 Te\n0.249643 0.251728 0.001250 Te\n0.563722 0.443986 0.328129 Te\n0.950395 0.594889 0.642674 Te\n",
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"formula_anonymous": "A2B3C6",
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"spacegroup": 5
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{
"id": "mp-569859",
"created_at": "2022-09-04T14:43:20.464264Z",
"structure_string": "Mn1 Tl2 Sn1 Te4\n1.0\n-4.339708 4.339708 3.550450\n4.339708 -4.339708 3.550450\n4.339708 4.339708 -3.550450\nMn Tl Sn Te\n1 2 1 4\ndirect\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Tl\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Sn\n0.570257 0.570257 0.647908 Te\n0.429743 0.077651 0.000000 Te\n0.922349 0.922349 0.352092 Te\n0.077651 0.429743 0.000000 Te\n",
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"formula_full": "Mn1 Tl2 Sn1 Te4",
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"spacegroup": 121
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{
"id": "mp-865434",
"created_at": "2022-09-04T14:45:07.953166Z",
"structure_string": "Lu1 Zr1 Ru2\n1.0\n0.000000 3.304444 3.304444\n3.304444 0.000000 3.304444\n3.304444 3.304444 0.000000\nLu Zr Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
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"density_atomic": 0.05542871451116991,
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"formula_full": "Lu1 Zr1 Ru2",
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"updated_at": "2021-11-28T01:36:45.161000Z",
"spacegroup": 225
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{
"id": "mp-1008284",
"created_at": "2022-09-04T14:42:39.871266Z",
"structure_string": "Cr3 Ni1\n1.0\n-1.794946 1.794946 3.576951\n1.794946 -1.794946 3.576951\n1.794946 1.794946 -3.576951\nCr Ni\n3 1\ndirect\n0.500000 0.500000 0.000000 Cr\n0.750000 0.250000 0.500000 Cr\n0.250000 0.750000 0.500000 Cr\n0.000000 0.000000 0.000000 Ni\n",
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"formula_full": "Cr3 Ni1",
"formula_reduced": "Cr3Ni",
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"updated_at": "2021-11-28T01:35:51.278000Z",
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{
"id": "mp-1112938",
"created_at": "2022-09-04T14:42:04.231045Z",
"structure_string": "Cs2 Sc1 Ag1 I6\n1.0\n0.000000 5.975392 5.975392\n5.975392 0.000000 5.975392\n5.975392 5.975392 0.000000\nCs Sc Ag I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Ag\n0.756333 0.243667 0.243667 I\n0.243667 0.243667 0.756333 I\n0.243667 0.756333 0.756333 I\n0.243667 0.756333 0.243667 I\n0.756333 0.243667 0.756333 I\n0.756333 0.756333 0.243667 I\n",
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"volume": 426.7064421289749,
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{
"id": "mp-1223048",
"created_at": "2022-09-04T14:48:20.565364Z",
"structure_string": "La2 Zn1 Sb4\n1.0\n4.416348 0.000000 0.000000\n0.000000 4.416348 0.000000\n0.000000 0.000000 10.446012\nLa Zn Sb\n2 1 4\ndirect\n0.500000 0.000000 0.748299 La\n0.000000 0.500000 0.251701 La\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.152229 Sb\n0.000000 0.500000 0.847771 Sb\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n",
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"density": 6.766842767783394,
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"volume": 203.74037244766427,
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"formula_full": "La2 Zn1 Sb4",
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{
"id": "mp-1220723",
"created_at": "2022-09-04T14:42:56.065855Z",
"structure_string": "Na1 La2 Se3\n1.0\n2.165500 -3.750756 0.000000\n2.165500 3.750756 0.000000\n0.000000 0.000000 10.605136\nNa La Se\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.333333 0.666667 0.670889 La\n0.666667 0.333333 0.329111 La\n0.333333 0.666667 0.170461 Se\n0.666667 0.333333 0.829539 Se\n0.000000 0.000000 0.500000 Se\n",
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{
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"structure_string": "Cu3 As1 Se4\n1.0\n-2.810578 2.810578 5.570006\n2.810578 -2.810578 5.570006\n2.810578 2.810578 -5.570006\nCu As Se\n3 1 4\ndirect\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 As\n0.876505 0.385537 0.000000 Se\n0.123495 0.123495 0.509032 Se\n0.385537 0.876505 0.000000 Se\n0.614463 0.614463 0.490968 Se\n",
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{
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"formula_full": "Ta1 Mn2 Ga1",
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{
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"structure_string": "Co3 Sn3\n1.0\n2.654285 -4.597357 0.000000\n2.654285 4.597357 0.000000\n0.000000 0.000000 4.237408\nCo Sn\n3 3\ndirect\n0.000000 0.500000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.666667 0.333333 0.500000 Sn\n0.333333 0.666667 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n",
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"formula_full": "Co3 Sn3",
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]
}