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{
"id": "mp-20970",
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"structure_string": "Na2 Mn2 Sb2\n1.0\n4.427575 0.000000 0.000000\n0.000000 4.427575 0.000000\n0.000000 0.000000 7.492786\nNa Mn Sb\n2 2 2\ndirect\n0.500000 0.000000 0.651366 Na\n0.000000 0.500000 0.348634 Na\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.217373 Sb\n0.000000 0.500000 0.782627 Sb\n",
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{
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{
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"spacegroup": 225
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{
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"created_at": "2022-09-04T14:47:07.334045Z",
"structure_string": "In2 Ag2 Se4\n1.0\n-3.109099 3.109099 6.005374\n3.109099 -3.109099 6.005374\n3.109099 3.109099 -6.005374\nIn Ag Se\n2 2 4\ndirect\n0.500000 0.500000 0.000000 In\n0.250000 0.750000 0.500000 In\n0.750000 0.250000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.875000 0.870729 0.495729 Se\n0.129271 0.625000 0.004271 Se\n0.375000 0.379271 0.504271 Se\n0.620729 0.125000 0.995729 Se\n",
"nsites": 8,
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"formula_full": "In2 Ag2 Se4",
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{
"id": "mp-10450",
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"structure_string": "Pr2 Al2 Ge2\n1.0\n-2.152122 2.152122 7.397767\n2.152122 -2.152122 7.397767\n2.152122 2.152122 -7.397767\nPr Al Ge\n2 2 2\ndirect\n0.166721 0.166721 0.000000 Pr\n0.916721 0.416721 0.500000 Pr\n0.582772 0.582772 0.000000 Al\n0.332772 0.832772 0.500000 Al\n0.499007 0.999007 0.500000 Ge\n0.749007 0.749007 0.000000 Ge\n",
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"formula_full": "Pr2 Al2 Ge2",
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{
"id": "mp-30062",
"created_at": "2022-09-04T14:42:44.653170Z",
"structure_string": "Cs2 Pt1 Br6\n1.0\n0.000000 5.524466 5.524466\n5.524466 0.000000 5.524466\n5.524466 5.524466 0.000000\nCs Pt Br\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.000000 0.000000 0.000000 Pt\n0.772551 0.772551 0.227449 Br\n0.772551 0.227449 0.772551 Br\n0.227449 0.772551 0.227449 Br\n0.227449 0.227449 0.772551 Br\n0.227449 0.772551 0.772551 Br\n0.772551 0.227449 0.227449 Br\n",
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"density": 4.630451648677471,
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"volume": 337.21036160011687,
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"formula_full": "Cs2 Pt1 Br6",
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"formula_anonymous": "AB2C6",
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"updated_at": "2021-11-28T01:35:54.383000Z",
"spacegroup": 225
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{
"id": "mp-1077088",
"created_at": "2022-09-04T14:44:59.652781Z",
"structure_string": "Pr1 Cd1 Ni4\n1.0\n0.000000 3.582911 3.582911\n3.582911 0.000000 3.582911\n3.582911 3.582911 0.000000\nPr Cd Ni\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Pr\n0.000000 0.000000 0.000000 Cd\n0.626439 0.626439 0.120683 Ni\n0.626439 0.120683 0.626439 Ni\n0.120683 0.626439 0.626439 Ni\n0.626439 0.626439 0.626439 Ni\n",
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"density": 8.810751502583946,
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"volume": 91.98945731155827,
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"formula_full": "Pr1 Cd1 Ni4",
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"spacegroup": 216
},
{
"id": "mp-1077392",
"created_at": "2022-09-04T14:43:17.251755Z",
"structure_string": "Tm2 Cu2 Ge2\n1.0\n2.098195 -3.634181 0.000000\n2.098195 3.634181 0.000000\n0.000000 0.000000 7.283957\nTm Cu Ge\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Tm\n0.000000 0.000000 0.000000 Tm\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n0.333333 0.666667 0.750000 Ge\n0.666667 0.333333 0.250000 Ge\n",
"nsites": 6,
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"density": 9.122214866314582,
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"volume": 111.08355506624687,
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{
"id": "mp-795950",
"created_at": "2022-09-04T14:40:34.123371Z",
"structure_string": "Mo2 H4 O8\n1.0\n3.768351 0.000000 0.000000\n-1.854748 -6.246361 0.000000\n0.257448 3.283187 -7.008083\nMo H O\n2 4 8\ndirect\n0.262271 0.643511 0.204089 Mo\n0.725696 0.337322 0.791704 Mo\n0.956734 0.650274 0.879266 H\n0.464485 0.259579 0.106038 H\n0.525231 0.902624 0.329114 H\n0.505994 0.102861 0.686225 H\n0.329916 0.312729 0.449175 O\n0.667528 0.693313 0.547251 O\n0.239413 0.209850 0.873032 O\n0.770143 0.809228 0.123767 O\n0.119426 0.413774 0.173486 O\n0.884399 0.598499 0.818861 O\n0.437296 0.004364 0.207091 O\n0.582993 0.999458 0.809004 O\n",
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"volume": 164.9596265846425,
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{
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"structure_string": "K1 As2 Ir2\n1.0\n-2.032829 2.032829 6.724060\n2.032829 -2.032829 6.724060\n2.032829 2.032829 -6.724060\nK As Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 K\n0.354503 0.354503 0.000000 As\n0.645497 0.645497 0.000000 As\n0.750000 0.250000 0.500000 Ir\n0.250000 0.750000 0.500000 Ir\n",
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{
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"structure_string": "Sr1 Mg14 Ti1\n1.0\n6.562548 0.000000 -0.000000\n-3.281274 5.683333 0.000000\n0.000000 -0.000000 10.326384\nSr Mg Ti\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Sr\n0.166791 0.833395 0.125000 Mg\n0.176477 0.838238 0.625000 Mg\n0.666605 0.333209 0.125000 Mg\n0.661762 0.323523 0.625000 Mg\n0.666605 0.833395 0.125000 Mg\n0.661762 0.838238 0.625000 Mg\n0.334658 0.165342 0.360970 Mg\n0.334658 0.165342 0.889030 Mg\n0.334658 0.669317 0.360970 Mg\n0.334658 0.669317 0.889030 Mg\n0.830683 0.165342 0.360970 Mg\n0.830683 0.165342 0.889030 Mg\n0.833333 0.666667 0.379921 Mg\n0.833333 0.666667 0.870079 Mg\n0.166667 0.333333 0.125000 Ti\n",
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{
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"structure_string": "Si6\n1.0\n6.887153 0.000000 0.000000\n-3.443577 5.964449 0.000000\n0.000000 0.000000 2.464314\nSi\n6\ndirect\n0.145393 0.718647 0.000000 Si\n0.281353 0.426746 0.000000 Si\n0.573254 0.854607 0.000000 Si\n0.854607 0.281353 0.000000 Si\n0.718647 0.573254 0.000000 Si\n0.426746 0.145393 0.000000 Si\n",
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]
}