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{
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{
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{
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},
{
"id": "mp-1104001",
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"structure_string": "Ba2 Mo6 Se6\n1.0\n4.549789 -7.880466 0.000000\n4.549789 7.880466 0.000000\n0.000000 0.000000 4.530560\nBa Mo Se\n2 6 6\ndirect\n0.333333 0.666667 0.250000 Ba\n0.666667 0.333333 0.750000 Ba\n0.033025 0.849617 0.250000 Mo\n0.816591 0.966975 0.250000 Mo\n0.150383 0.183409 0.250000 Mo\n0.966975 0.150383 0.750000 Mo\n0.183409 0.033025 0.750000 Mo\n0.849617 0.816591 0.750000 Mo\n0.369349 0.067246 0.250000 Se\n0.697897 0.630651 0.250000 Se\n0.932754 0.302103 0.250000 Se\n0.630651 0.932754 0.750000 Se\n0.302103 0.369349 0.750000 Se\n0.067246 0.697897 0.750000 Se\n",
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{
"id": "mp-1197677",
"created_at": "2022-09-04T14:40:07.721222Z",
"structure_string": "Ba4 Mo30 Se38\n1.0\n-4.974866 -8.616722 -0.000000\n4.974866 -8.616722 -0.000000\n-0.000000 -5.744481 19.392933\nBa Mo Se\n4 30 38\ndirect\n0.615114 0.615114 0.154657 Ba\n0.115114 0.115114 0.654657 Ba\n0.384886 0.384886 0.845343 Ba\n0.884886 0.884886 0.345343 Ba\n0.499873 0.684371 0.441897 Mo\n0.684371 0.373859 0.441897 Mo\n0.373859 0.499873 0.441897 Mo\n0.999873 0.873859 0.941897 Mo\n0.873859 0.184371 0.941897 Mo\n0.184371 0.999873 0.941897 Mo\n0.500127 0.315629 0.558103 Mo\n0.315629 0.626141 0.558103 Mo\n0.626141 0.500127 0.558103 Mo\n0.000127 0.126141 0.058103 Mo\n0.126141 0.815629 0.058103 Mo\n0.815629 0.000127 0.058103 Mo\n0.721997 0.858519 0.867574 Mo\n0.858519 0.551910 0.867574 Mo\n0.551910 0.721997 0.867574 Mo\n0.221997 0.051910 0.367574 Mo\n0.051910 0.358519 0.367574 Mo\n0.358519 0.221997 0.367574 Mo\n0.278003 0.141481 0.132426 Mo\n0.141481 0.448090 0.132426 Mo\n0.448090 0.278003 0.132426 Mo\n0.778003 0.948090 0.632426 Mo\n0.948090 0.641481 0.632426 Mo\n0.641481 0.778003 0.632426 Mo\n0.593223 0.906777 0.750000 Mo\n0.906777 0.750000 0.750000 Mo\n0.750000 0.593223 0.750000 Mo\n0.093223 0.250000 0.250000 Mo\n0.250000 0.406777 0.250000 Mo\n0.406777 0.093223 0.250000 Mo\n0.800052 0.556135 0.448777 Se\n0.556135 0.195036 0.448777 Se\n0.195036 0.800052 0.448777 Se\n0.300052 0.695036 0.948777 Se\n0.695036 0.056135 0.948777 Se\n0.056135 0.300052 0.948777 Se\n0.199948 0.443865 0.551223 Se\n0.443865 0.804964 0.551223 Se\n0.804964 0.199948 0.551223 Se\n0.699948 0.304964 0.051223 Se\n0.304964 0.943865 0.051223 Se\n0.943865 0.699948 0.051223 Se\n0.422153 0.031346 0.858588 Se\n0.031346 0.687913 0.858588 Se\n0.687913 0.422153 0.858588 Se\n0.922153 0.187913 0.358588 Se\n0.187913 0.531346 0.358588 Se\n0.531346 0.922153 0.358588 Se\n0.577847 0.968654 0.141412 Se\n0.968654 0.312087 0.141412 Se\n0.312087 0.577847 0.141412 Se\n0.077847 0.812087 0.641412 Se\n0.812087 0.468654 0.641412 Se\n0.468654 0.077847 0.641412 Se\n0.054181 0.445819 0.750000 Se\n0.445819 0.750000 0.750000 Se\n0.750000 0.054181 0.750000 Se\n0.554181 0.250000 0.250000 Se\n0.250000 0.945819 0.250000 Se\n0.945819 0.554181 0.250000 Se\n0.554526 0.554526 0.336422 Se\n0.054526 0.054526 0.836422 Se\n0.445474 0.445474 0.663578 Se\n0.945474 0.945474 0.163578 Se\n0.675579 0.675579 0.973264 Se\n0.175579 0.175579 0.473264 Se\n0.324421 0.324421 0.026736 Se\n0.824421 0.824421 0.526736 Se\n",
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"elements": [
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"formula_full": "Ba4 Mo30 Se38",
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{
"id": "mp-532273",
"created_at": "2022-09-04T14:46:03.263868Z",
"structure_string": "Ba8 Mo24 S36\n1.0\n5.405147 -9.361988 0.000000\n5.405147 9.361988 0.000000\n0.000000 0.000000 14.388870\nBa Mo S\n8 24 36\ndirect\n0.186896 0.813104 0.744924 Ba\n0.186896 0.373793 0.744924 Ba\n0.000000 0.000000 0.447208 Ba\n0.000000 0.000000 0.947208 Ba\n0.626207 0.813104 0.744924 Ba\n0.373793 0.186896 0.244924 Ba\n0.813104 0.626207 0.244924 Ba\n0.813104 0.186896 0.244924 Ba\n0.242834 0.757166 0.361147 Mo\n0.242420 0.757580 0.139415 Mo\n0.165603 0.582802 0.511750 Mo\n0.166029 0.583015 0.988194 Mo\n0.242420 0.484839 0.139415 Mo\n0.417198 0.834397 0.511750 Mo\n0.416985 0.833971 0.988194 Mo\n0.242834 0.485668 0.361147 Mo\n0.416985 0.583015 0.988194 Mo\n0.417198 0.582802 0.511750 Mo\n0.515161 0.757580 0.139415 Mo\n0.514332 0.757166 0.361147 Mo\n0.484839 0.242420 0.639415 Mo\n0.485668 0.242834 0.861147 Mo\n0.582802 0.417198 0.011750 Mo\n0.583015 0.416985 0.488194 Mo\n0.583015 0.166029 0.488194 Mo\n0.757166 0.514332 0.861147 Mo\n0.582802 0.165603 0.011750 Mo\n0.757580 0.515161 0.639415 Mo\n0.834397 0.417198 0.011750 Mo\n0.833971 0.416985 0.488194 Mo\n0.757580 0.242420 0.639415 Mo\n0.757166 0.242834 0.861147 Mo\n0.136896 0.863104 0.254667 S\n0.181077 0.818923 0.511680 S\n0.181307 0.818693 0.987806 S\n0.029464 0.514732 0.135226 S\n0.029122 0.514561 0.364763 S\n0.333333 0.666667 0.250010 S\n0.485268 0.970536 0.135226 S\n0.485439 0.970878 0.364763 S\n0.333333 0.666667 0.640728 S\n0.333333 0.666667 0.858439 S\n0.181307 0.362613 0.987806 S\n0.136896 0.273793 0.254667 S\n0.181077 0.362154 0.511680 S\n0.273793 0.136896 0.754667 S\n0.485268 0.514732 0.135226 S\n0.485439 0.514561 0.364763 S\n0.637387 0.818693 0.987806 S\n0.637846 0.818923 0.511680 S\n0.362613 0.181307 0.487806 S\n0.362154 0.181077 0.011680 S\n0.514561 0.485439 0.864763 S\n0.514732 0.485268 0.635226 S\n0.726207 0.863104 0.254667 S\n0.666667 0.333333 0.140728 S\n0.514732 0.029464 0.635226 S\n0.818923 0.637846 0.011680 S\n0.666667 0.333333 0.358439 S\n0.863104 0.726207 0.754667 S\n0.666667 0.333333 0.750010 S\n0.818693 0.637387 0.487806 S\n0.514561 0.029122 0.864763 S\n0.970878 0.485439 0.864763 S\n0.970536 0.485268 0.635226 S\n0.818923 0.181077 0.011680 S\n0.818693 0.181307 0.487806 S\n0.863104 0.136896 0.754667 S\n",
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{
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{
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{
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}
]
}