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{
"id": "mp-1188908",
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"structure_string": "La4 Ni14\n1.0\n-2.507991 -4.343968 0.000000\n-5.015982 0.000000 0.000000\n-2.507991 -1.447989 -12.325412\nLa Ni\n4 14\ndirect\n0.949417 0.949417 0.151749 La\n0.050583 0.050583 0.848251 La\n0.853124 0.853124 0.440628 La\n0.146876 0.146876 0.559372 La\n0.500000 0.500000 0.500000 Ni\n0.721525 0.721525 0.835425 Ni\n0.278475 0.278475 0.164575 Ni\n0.612350 0.612350 0.162950 Ni\n0.387650 0.387650 0.837050 Ni\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.392051 0.392051 0.325517 Ni\n0.890381 0.392051 0.325517 Ni\n0.392051 0.890381 0.325517 Ni\n0.607949 0.607949 0.674483 Ni\n0.109619 0.607949 0.674483 Ni\n0.607949 0.109619 0.674483 Ni\n",
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{
"id": "mp-1028293",
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"structure_string": "Mg14 Nb1 V1\n1.0\n6.313410 0.000000 0.000000\n-3.156705 5.467573 -0.000000\n0.000000 -0.000000 10.042322\nMg Nb V\n14 1 1\ndirect\n0.168347 0.834173 0.125000 Mg\n0.170320 0.835160 0.625000 Mg\n0.665827 0.331653 0.125000 Mg\n0.664840 0.329680 0.625000 Mg\n0.665827 0.834173 0.125000 Mg\n0.664840 0.835160 0.625000 Mg\n0.327836 0.172164 0.375831 Mg\n0.327836 0.172164 0.874169 Mg\n0.327836 0.655672 0.375831 Mg\n0.327836 0.655672 0.874169 Mg\n0.844328 0.172164 0.375831 Mg\n0.844328 0.172164 0.874169 Mg\n0.833333 0.666667 0.376457 Mg\n0.833333 0.666667 0.873543 Mg\n0.166667 0.333333 0.625000 Nb\n0.166667 0.333333 0.125000 V\n",
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"spacegroup": 187
},
{
"id": "mp-1073227",
"created_at": "2022-09-04T14:43:01.758030Z",
"structure_string": "Mg4 Si6\n1.0\n2.289686 4.660615 0.000000\n-2.289686 4.660615 0.000000\n0.000000 2.034569 8.053415\nMg Si\n4 6\ndirect\n0.168371 0.168371 0.960475 Mg\n0.831629 0.831629 0.039525 Mg\n0.048129 0.048129 0.656882 Mg\n0.951871 0.951871 0.343118 Mg\n0.368819 0.368819 0.587383 Si\n0.271719 0.271719 0.322293 Si\n0.728281 0.728281 0.677707 Si\n0.631181 0.631181 0.412617 Si\n0.479720 0.479720 0.856432 Si\n0.520280 0.520280 0.143568 Si\n",
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"elements": [
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"density": 2.5672334083689563,
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"volume": 171.88153844771134,
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"formula_full": "Mg4 Si6",
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{
"id": "mp-1187449",
"created_at": "2022-09-04T14:43:00.801835Z",
"structure_string": "Th6 Cr2\n1.0\n3.462768 -5.997691 0.000000\n3.462768 5.997691 0.000000\n0.000000 0.000000 5.481442\nTh Cr\n6 2\ndirect\n0.175898 0.351797 0.250000 Th\n0.648203 0.824102 0.250000 Th\n0.175898 0.824102 0.250000 Th\n0.824102 0.648203 0.750000 Th\n0.351797 0.175898 0.750000 Th\n0.824102 0.175898 0.750000 Th\n0.333333 0.666667 0.750000 Cr\n0.666667 0.333333 0.250000 Cr\n",
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"elements": [
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"spacegroup": 194
},
{
"id": "mp-1221549",
"created_at": "2022-09-04T14:43:01.802860Z",
"structure_string": "Mn1 Sn1 Pd2\n1.0\n3.343315 0.000000 0.000000\n0.000000 3.343315 0.000000\n0.000000 0.000000 6.068889\nMn Sn Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Sn\n0.500000 0.500000 0.236436 Pd\n0.500000 0.500000 0.763564 Pd\n",
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"elements": [
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"density": 9.460658676535232,
"density_atomic": 0.058965258034927595,
"volume": 67.83655551258052,
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"formula_full": "Mn1 Sn1 Pd2",
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"updated_at": "2021-11-28T01:36:12.208000Z",
"spacegroup": 123
},
{
"id": "mp-1093771",
"created_at": "2022-09-04T14:43:00.799667Z",
"structure_string": "Sr2 Zn1 Ag1\n1.0\n-6.536265 6.721546 9.241152\n6.536265 -6.721546 9.241152\n6.536265 6.721546 -9.241152\nSr Zn Ag\n2 1 1\ndirect\n0.263811 0.000000 0.263811 Sr\n0.736189 0.000000 0.736189 Sr\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Ag\n",
"nsites": 4,
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],
"chemical_system": "Ag-Sr-Zn",
"density": 0.3563595337811546,
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"volume": 1623.9959117733315,
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"formula_full": "Sr2 Zn1 Ag1",
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"updated_at": "2021-11-28T01:36:07.242000Z",
"spacegroup": 71
},
{
"id": "mp-1182591",
"created_at": "2022-09-04T14:43:00.959906Z",
"structure_string": "Ho3 Sn7\n1.0\n1.503725 -14.252680 0.000000\n1.503725 14.252680 0.000000\n0.000000 0.000000 44.534070\nHo Sn\n3 7\ndirect\n0.000000 0.000000 0.500000 Ho\n0.303389 0.696611 0.000000 Ho\n0.696611 0.303389 0.000000 Ho\n0.500000 0.500000 0.000000 Sn\n0.401713 0.598287 0.500000 Sn\n0.598287 0.401713 0.500000 Sn\n0.098063 0.901937 0.000000 Sn\n0.901937 0.098063 0.000000 Sn\n0.197706 0.802294 0.500000 Sn\n0.802294 0.197706 0.500000 Sn\n",
"nsites": 10,
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"elements": [
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"density": 1.1532593541274414,
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"volume": 1908.9182837964167,
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"formula_full": "Ho3 Sn7",
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"energy": -32.02945592,
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{
"id": "mp-604378",
"created_at": "2022-09-04T14:43:01.249140Z",
"structure_string": "Tb16 In4 Ir4\n1.0\n0.000000 6.867484 6.867484\n6.867484 0.000000 6.867484\n6.867484 6.867484 0.000000\nTb In Ir\n16 4 4\ndirect\n0.099010 0.702970 0.099010 Tb\n0.941430 0.941430 0.558570 Tb\n0.941430 0.558570 0.941430 Tb\n0.310198 0.689802 0.310198 Tb\n0.941430 0.558570 0.558570 Tb\n0.310198 0.310198 0.689802 Tb\n0.099010 0.099010 0.099010 Tb\n0.558570 0.558570 0.941430 Tb\n0.099010 0.099010 0.702970 Tb\n0.689802 0.310198 0.689802 Tb\n0.689802 0.689802 0.310198 Tb\n0.689802 0.310198 0.310198 Tb\n0.310198 0.689802 0.689802 Tb\n0.558570 0.941430 0.558570 Tb\n0.702970 0.099010 0.099010 Tb\n0.558570 0.941430 0.941430 Tb\n0.332576 0.332576 0.332576 In\n0.002271 0.332576 0.332576 In\n0.332576 0.002271 0.332576 In\n0.332576 0.332576 0.002271 In\n0.891252 0.891252 0.891252 Ir\n0.891252 0.891252 0.326244 Ir\n0.326244 0.891252 0.891252 Ir\n0.891252 0.326244 0.891252 Ir\n",
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"volume": 647.7731824988986,
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{
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"structure_string": "Ta1 C1\n1.0\n0.000000 2.419287 2.419287\n2.419287 0.000000 2.419287\n2.419287 2.419287 0.000000\nTa C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 C\n",
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{
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"structure_string": "V4 Zn1 S8\n1.0\n6.743439 -3.208136 0.000000\n6.743439 3.208136 0.000000\n5.217195 0.000000 5.342937\nV Zn S\n4 1 8\ndirect\n0.000000 0.500000 0.500000 V\n0.500000 0.000000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 Zn\n0.261297 0.754769 0.754769 S\n0.245231 0.245231 0.738703 S\n0.738703 0.245231 0.245231 S\n0.245231 0.738703 0.245231 S\n0.258207 0.258207 0.258207 S\n0.741793 0.741793 0.741793 S\n0.754769 0.261297 0.754769 S\n0.754769 0.754769 0.261297 S\n",
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{
"id": "mp-1093590",
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"structure_string": "Ta2 Os1 Pd1\n1.0\n-4.840032 5.368443 7.629767\n4.840032 -5.368443 7.629767\n4.840032 5.368443 -7.629767\nTa Os Pd\n2 1 1\ndirect\n0.000000 0.262690 0.262690 Ta\n0.000000 0.737310 0.737310 Ta\n0.000000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Pd\n",
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{
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"structure_string": "Rb2 Al1 Hg1 Cl6\n1.0\n0.000000 5.266818 5.266818\n5.266818 0.000000 5.266818\n5.266818 5.266818 0.000000\nRb Al Hg Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Hg\n0.775899 0.224101 0.224101 Cl\n0.224101 0.224101 0.775899 Cl\n0.224101 0.775899 0.775899 Cl\n0.224101 0.775899 0.224101 Cl\n0.775899 0.224101 0.775899 Cl\n0.775899 0.775899 0.224101 Cl\n",
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]
}