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{
"id": "mp-1104073",
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"structure_string": "C11 N4\n1.0\n3.541729 0.000000 0.000000\n0.000000 3.541729 0.000000\n0.000000 0.000000 6.993184\nC N\n11 4\ndirect\n0.500000 0.000000 0.257003 C\n0.500000 0.000000 0.742997 C\n0.000000 0.500000 0.742997 C\n0.000000 0.500000 0.257003 C\n0.000000 0.000000 0.000000 C\n0.500000 0.500000 0.000000 C\n0.744811 0.744811 0.128196 C\n0.255189 0.255189 0.128196 C\n0.255189 0.744811 0.871804 C\n0.744811 0.255189 0.871804 C\n0.000000 0.000000 0.500000 C\n0.763099 0.763099 0.624596 N\n0.236901 0.236901 0.624596 N\n0.236901 0.763099 0.375404 N\n0.763099 0.236901 0.375404 N\n",
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{
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{
"id": "mp-1176576",
"created_at": "2022-09-04T14:46:28.510529Z",
"structure_string": "Li2 Ti2 Co2 O8\n1.0\n-2.966785 2.991515 4.227236\n2.966785 -2.991515 4.227236\n2.966785 2.991515 -4.227236\nLi Ti Co O\n2 2 2 8\ndirect\n0.626364 0.876364 0.750000 Li\n0.373636 0.123636 0.250000 Li\n0.000000 0.000000 0.500000 Ti\n0.000000 0.500000 0.000000 Ti\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.784261 0.253563 0.530699 O\n0.222864 0.253563 0.969301 O\n0.233763 0.707212 0.973449 O\n0.233763 0.260314 0.526551 O\n0.766237 0.739686 0.473449 O\n0.766237 0.292788 0.026551 O\n0.777136 0.746437 0.030699 O\n0.215739 0.746437 0.469301 O\n",
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{
"id": "mp-1221866",
"created_at": "2022-09-04T14:46:28.520479Z",
"structure_string": "Mn8 Co8 Sb8\n1.0\n0.000000 5.818018 5.818018\n5.818018 0.000000 5.818018\n5.818018 5.818018 0.000000\nMn Co Sb\n8 8 8\ndirect\n0.617831 0.127390 0.127390 Mn\n0.127390 0.617831 0.127390 Mn\n0.127390 0.127390 0.617831 Mn\n0.127390 0.127390 0.127390 Mn\n0.124415 0.625195 0.625195 Mn\n0.625195 0.124415 0.625195 Mn\n0.625195 0.625195 0.124415 Mn\n0.625195 0.625195 0.625195 Mn\n0.000000 0.000000 0.000000 Co\n0.250000 0.250000 0.250000 Co\n0.242614 0.242614 0.757386 Co\n0.757386 0.757386 0.242614 Co\n0.242614 0.757386 0.242614 Co\n0.757386 0.242614 0.757386 Co\n0.757386 0.242614 0.242614 Co\n0.242614 0.757386 0.757386 Co\n0.401943 0.866019 0.866019 Sb\n0.866019 0.401943 0.866019 Sb\n0.866019 0.866019 0.401943 Sb\n0.866019 0.866019 0.866019 Sb\n0.870635 0.376455 0.376455 Sb\n0.376455 0.870635 0.376455 Sb\n0.376455 0.376455 0.870635 Sb\n0.376455 0.376455 0.376455 Sb\n",
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"formula_full": "Mn8 Co8 Sb8",
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{
"id": "mp-1217843",
"created_at": "2022-09-04T14:46:28.581274Z",
"structure_string": "Tb1 Fe10 Si2\n1.0\n0.000000 0.000000 4.748370\n-4.148651 4.189358 2.374185\n-4.148651 -4.189358 -2.374185\nTb Fe Si\n1 10 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.639081 0.360919 0.639081 Fe\n0.360919 0.639081 0.360919 Fe\n0.000000 0.354691 0.354691 Fe\n0.000000 0.645309 0.645309 Fe\n0.500000 0.790505 0.790505 Fe\n0.500000 0.209495 0.209495 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.736028 0.763972 0.236028 Si\n0.263972 0.236028 0.763972 Si\n",
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"formula_full": "Tb1 Fe10 Si2",
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"energy": -103.22770026,
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{
"id": "mp-1233950",
"created_at": "2022-09-04T14:46:28.521574Z",
"structure_string": "K2 Mg1 Fe4 P6 O16 F12\n1.0\n7.037372 0.009173 -2.516258\n-0.629947 7.772979 -1.470931\n0.161768 0.082088 10.794673\nK Mg Fe P O F\n2 1 4 6 16 12\ndirect\n0.782166 0.091996 0.773494 K\n0.229898 0.948309 0.219521 K\n0.633603 0.218898 0.081158 Mg\n0.676022 0.325108 0.364311 Fe\n0.336205 0.673943 0.658396 Fe\n0.480706 0.523197 0.986503 Fe\n0.005642 0.997739 0.508215 Fe\n0.656396 0.730171 0.502291 P\n0.335034 0.278046 0.496429 P\n0.303007 0.058753 0.818902 P\n0.705605 0.915651 0.188628 P\n0.048072 0.595404 0.827918 P\n0.969569 0.393475 0.152679 P\n0.729225 0.572000 0.441617 O\n0.258823 0.444702 0.544488 O\n0.801841 0.885205 0.554729 O\n0.198531 0.118559 0.460900 O\n0.594434 0.075747 0.209420 O\n0.412777 0.908865 0.782380 O\n0.441267 0.212330 0.903431 O\n0.580738 0.758356 0.111535 O\n0.879681 0.899393 0.303880 O\n0.133812 0.100121 0.708436 O\n0.910887 0.319967 0.253256 O\n0.106338 0.657120 0.723111 O\n0.809111 0.382705 0.022297 O\n0.189661 0.545564 0.946417 O\n0.418482 0.278643 0.386120 O\n0.561238 0.711060 0.604725 O\n0.847771 0.192561 0.493934 F\n0.165093 0.797055 0.523370 F\n0.525390 0.414358 0.152850 F\n0.485271 0.571465 0.813131 F\n0.794262 0.980589 0.076984 F\n0.208936 0.005290 0.923583 F\n0.888102 0.446352 0.759833 F\n0.069178 0.577538 0.207568 F\n0.506262 0.246332 0.623811 F\n0.491432 0.785741 0.381236 F\n0.134860 0.293768 0.121775 F\n0.926814 0.734589 0.880489 F\n",
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{
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{
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"structure_string": "Tb8 Pt2\n1.0\n-5.492499 -5.492499 0.000000\n-5.492499 0.000000 -5.492499\n0.000000 -5.492499 -5.492499\nTb Pt\n8 2\ndirect\n0.610034 0.610034 0.610034 Tb\n0.169897 0.610034 0.610034 Tb\n0.610034 0.169897 0.610034 Tb\n0.580103 0.139966 0.139966 Tb\n0.139966 0.139966 0.139966 Tb\n0.610034 0.610034 0.169897 Tb\n0.139966 0.580103 0.139966 Tb\n0.139966 0.139966 0.580103 Tb\n0.000000 0.000000 0.000000 Pt\n0.750000 0.750000 0.750000 Pt\n",
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{
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"structure_string": "La4 Zr8 Ni15 As16\n1.0\n3.969072 0.000000 0.000000\n0.000000 9.418549 0.000000\n0.000000 2.633962 19.530920\nLa Zr Ni As\n4 8 15 16\ndirect\n0.500000 0.364863 0.375085 La\n0.500000 0.364150 0.877889 La\n0.000000 0.623103 0.127128 La\n0.000000 0.636119 0.622627 La\n0.500000 0.127556 0.052931 Zr\n0.500000 0.128389 0.552583 Zr\n0.000000 0.872270 0.446695 Zr\n0.000000 0.870466 0.948704 Zr\n0.500000 0.152905 0.225934 Zr\n0.500000 0.141934 0.726930 Zr\n0.000000 0.859659 0.272409 Zr\n0.000000 0.858186 0.773140 Zr\n0.500000 0.887447 0.160532 Ni\n0.500000 0.884890 0.659630 Ni\n0.000000 0.115201 0.340450 Ni\n0.000000 0.114679 0.840569 Ni\n0.500000 0.611317 0.490620 Ni\n0.500000 0.612072 0.989416 Ni\n0.000000 0.387513 0.009169 Ni\n0.000000 0.389362 0.509695 Ni\n0.500000 0.709240 0.362055 Ni\n0.500000 0.709911 0.861807 Ni\n0.000000 0.288234 0.136296 Ni\n0.000000 0.290440 0.637691 Ni\n0.500000 0.434417 0.703907 Ni\n0.000000 0.567603 0.295880 Ni\n0.000000 0.565562 0.796234 Ni\n0.500000 0.972128 0.349349 As\n0.500000 0.970369 0.850998 As\n0.000000 0.029813 0.149937 As\n0.000000 0.029277 0.649146 As\n0.500000 0.828119 0.044643 As\n0.500000 0.832871 0.541978 As\n0.000000 0.169462 0.457255 As\n0.000000 0.166364 0.957947 As\n0.500000 0.666344 0.240434 As\n0.500000 0.668171 0.740800 As\n0.000000 0.335047 0.256889 As\n0.000000 0.331711 0.759290 As\n0.500000 0.405675 0.082155 As\n0.500000 0.407428 0.581501 As\n0.000000 0.592580 0.418365 As\n0.000000 0.592553 0.918356 As\n",
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{
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{
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}