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{
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{
"id": "mp-1110695",
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{
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{
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"structure_string": "La1 Eu1 Al4\n1.0\n0.000000 4.079341 4.079341\n4.079341 0.000000 4.079341\n4.079341 4.079341 0.000000\nLa Eu Al\n1 1 4\ndirect\n0.000000 0.000000 0.000000 La\n0.250000 0.250000 0.250000 Eu\n0.625001 0.625001 0.124998 Al\n0.625001 0.124998 0.625001 Al\n0.124998 0.625001 0.625001 Al\n0.625001 0.625001 0.625001 Al\n",
"nsites": 6,
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"formula_full": "La1 Eu1 Al4",
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"spacegroup": 216
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{
"id": "mp-1188015",
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"formula_full": "Zr1 Sb1 Ru2",
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{
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"structure_string": "Dy1 Ir3\n1.0\n4.057736 0.000000 0.000000\n0.000000 4.057736 0.000000\n0.000000 0.000000 4.057736\nDy Ir\n1 3\ndirect\n0.000000 0.000000 0.000000 Dy\n0.000000 0.500000 0.500000 Ir\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n",
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"volume": 66.81152180817271,
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"formula_full": "Dy1 Ir3",
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"updated_at": "2021-11-28T01:37:19.127000Z",
"spacegroup": 221
},
{
"id": "mp-570680",
"created_at": "2022-09-04T14:46:08.316788Z",
"structure_string": "Er1 Ge2 Rh2\n1.0\n-2.068820 2.068820 5.163127\n2.068820 -2.068820 5.163127\n2.068820 2.068820 -5.163127\nEr Ge Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.378996 0.378996 0.000000 Ge\n0.621004 0.621004 0.000000 Ge\n0.750000 0.250000 0.500000 Rh\n0.250000 0.750000 0.500000 Rh\n",
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"density": 9.737646155769788,
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"volume": 88.39306865367055,
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"formula_full": "Er1 Ge2 Rh2",
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"formula_anonymous": "AB2C2",
"energy": -32.87001451,
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"updated_at": "2021-11-28T01:37:22.003000Z",
"spacegroup": 139
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{
"id": "mp-1079594",
"created_at": "2022-09-04T14:45:04.631535Z",
"structure_string": "Ca3 Zn1 Se4\n1.0\n6.381835 0.000000 0.000000\n0.000000 6.381835 0.000000\n0.000000 0.000000 6.381835\nCa Zn Se\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Zn\n0.769907 0.769907 0.230093 Se\n0.769907 0.230093 0.769907 Se\n0.230093 0.769907 0.769907 Se\n0.230093 0.230093 0.230093 Se\n",
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"density": 3.2038236157206064,
"density_atomic": 0.030778912610396277,
"volume": 259.9182141768653,
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"formula_full": "Ca3 Zn1 Se4",
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{
"id": "mp-1114002",
"created_at": "2022-09-04T14:48:05.679770Z",
"structure_string": "Rb2 Tl1 Sb1 Cl6\n1.0\n0.000000 5.695039 5.695039\n5.695039 0.000000 5.695039\n5.695039 5.695039 0.000000\nRb Tl Sb Cl\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 Tl\n0.000000 0.000000 0.000000 Sb\n0.766446 0.233554 0.233554 Cl\n0.233554 0.233554 0.766446 Cl\n0.233554 0.766446 0.766446 Cl\n0.233554 0.766446 0.233554 Cl\n0.766446 0.233554 0.766446 Cl\n0.766446 0.766446 0.233554 Cl\n",
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"density": 3.1905319099224156,
"density_atomic": 0.027069478984008404,
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"formula_full": "Rb2 Tl1 Sb1 Cl6",
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{
"id": "mp-7447",
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"structure_string": "Rb4 Se6\n1.0\n3.941446 -5.620924 0.000000\n3.941446 5.620924 0.000000\n0.000000 0.000000 8.091804\nRb Se\n4 6\ndirect\n0.585789 0.414211 0.174561 Rb\n0.414211 0.585789 0.674561 Rb\n0.098543 0.901457 0.452525 Rb\n0.901457 0.098543 0.952525 Rb\n0.081707 0.403576 0.326371 Se\n0.918293 0.596424 0.826371 Se\n0.596424 0.918293 0.326371 Se\n0.403576 0.081707 0.826371 Se\n0.206606 0.793394 0.997172 Se\n0.793394 0.206606 0.497172 Se\n",
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{
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{
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{
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"structure_string": "K2 Dy2 I6\n1.0\n2.151177 -7.950284 0.000000\n2.151177 7.950284 0.000000\n0.000000 0.000000 11.668159\nK Dy I\n2 2 6\ndirect\n0.246917 0.753083 0.250000 K\n0.753083 0.246917 0.750000 K\n0.000000 0.000000 0.000000 Dy\n0.000000 0.000000 0.500000 Dy\n0.634928 0.365072 0.055312 I\n0.365072 0.634928 0.944688 I\n0.365072 0.634928 0.555312 I\n0.634928 0.365072 0.444688 I\n0.928787 0.071213 0.250000 I\n0.071213 0.928787 0.750000 I\n",
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]
}