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{
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"results": [
{
"id": "mp-1193680",
"created_at": "2022-09-04T14:47:25.314398Z",
"structure_string": "Ti8 Ni8 Ge14\n1.0\n-6.486783 6.486783 2.561563\n6.486783 -6.486783 2.561563\n6.486783 6.486783 -2.561563\nTi Ni Ge\n8 8 14\ndirect\n0.134999 0.134999 0.269999 Ti\n0.865001 0.865001 0.730001 Ti\n0.865001 0.134999 0.000000 Ti\n0.134999 0.865001 0.000000 Ti\n0.500000 0.310662 0.810662 Ti\n0.500000 0.689338 0.189338 Ti\n0.689338 0.500000 0.189338 Ti\n0.310662 0.500000 0.810662 Ti\n0.399703 0.899703 0.799407 Ni\n0.100297 0.600297 0.200593 Ni\n0.100297 0.899703 0.500000 Ni\n0.399703 0.600297 0.500000 Ni\n0.600297 0.399703 0.500000 Ni\n0.899703 0.100297 0.500000 Ni\n0.899703 0.399703 0.799407 Ni\n0.600297 0.100297 0.200593 Ni\n0.500000 0.095803 0.595803 Ge\n0.500000 0.904197 0.404197 Ge\n0.904197 0.500000 0.404197 Ge\n0.095803 0.500000 0.595803 Ge\n0.750960 0.750960 0.000000 Ge\n0.249040 0.249040 0.000000 Ge\n0.298995 0.298995 0.597990 Ge\n0.701005 0.701005 0.402010 Ge\n0.701005 0.298995 0.000000 Ge\n0.298995 0.701005 0.000000 Ge\n0.000000 0.279777 0.279777 Ge\n0.000000 0.720223 0.720223 Ge\n0.720223 0.000000 0.720223 Ge\n0.279777 0.000000 0.279777 Ge\n",
"nsites": 30,
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"elements": [
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],
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"density": 7.200084597342189,
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"volume": 431.14541564353556,
"volume_molar": 8.654727936780256,
"formula_full": "Ti8 Ni8 Ge14",
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"formula_anonymous": "A4B4C7",
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"updated_at": "2021-11-28T01:38:08.901000Z",
"spacegroup": 139
},
{
"id": "mp-1192706",
"created_at": "2022-09-04T14:43:41.242405Z",
"structure_string": "Ta8 Co8 Si14\n1.0\n-6.273519 6.273519 2.489833\n6.273519 -6.273519 2.489833\n6.273519 6.273519 -2.489833\nTa Co Si\n8 8 14\ndirect\n0.133733 0.133733 0.267466 Ta\n0.866267 0.866267 0.732534 Ta\n0.866267 0.133733 0.000000 Ta\n0.133733 0.866267 0.000000 Ta\n0.500000 0.310135 0.810135 Ta\n0.500000 0.689865 0.189865 Ta\n0.689865 0.500000 0.189865 Ta\n0.310135 0.500000 0.810135 Ta\n0.398642 0.898642 0.797284 Co\n0.101358 0.601358 0.202716 Co\n0.101358 0.898642 0.500000 Co\n0.398642 0.601358 0.500000 Co\n0.601358 0.398642 0.500000 Co\n0.898642 0.101358 0.500000 Co\n0.898642 0.398642 0.797284 Co\n0.601358 0.101358 0.202716 Co\n0.500000 0.094550 0.594550 Si\n0.500000 0.905450 0.405450 Si\n0.905450 0.500000 0.405450 Si\n0.094550 0.500000 0.594550 Si\n0.751157 0.751157 0.000000 Si\n0.248843 0.248843 0.000000 Si\n0.291094 0.291094 0.582188 Si\n0.708906 0.708906 0.417812 Si\n0.708906 0.291094 0.000000 Si\n0.291094 0.708906 0.000000 Si\n0.000000 0.296483 0.296483 Si\n0.000000 0.703517 0.703517 Si\n0.703517 0.000000 0.703517 Si\n0.296483 0.000000 0.296483 Si\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Ta",
"Co",
"Si"
],
"chemical_system": "Co-Si-Ta",
"density": 9.79558581895613,
"density_atomic": 0.07653650198162278,
"volume": 391.96983430472585,
"volume_molar": 7.868325052856454,
"formula_full": "Ta8 Co8 Si14",
"formula_reduced": "Ta4Co4Si7",
"formula_anonymous": "A4B4C7",
"energy": -245.72041888000004,
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"energy_uncorrected": -246.71441888,
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"updated_at": "2021-11-28T01:36:17.841000Z",
"spacegroup": 139
},
{
"id": "mp-1192618",
"created_at": "2022-09-04T14:46:37.508161Z",
"structure_string": "Nb8 Fe8 Si14\n1.0\n-6.295608 6.295608 2.502026\n6.295608 -6.295608 2.502026\n6.295608 6.295608 -2.502026\nNb Fe Si\n8 8 14\ndirect\n0.135123 0.135123 0.270245 Nb\n0.864877 0.864877 0.729755 Nb\n0.864877 0.135123 0.000000 Nb\n0.135123 0.864877 0.000000 Nb\n0.500000 0.692202 0.192202 Nb\n0.500000 0.307798 0.807798 Nb\n0.307798 0.500000 0.807798 Nb\n0.692202 0.500000 0.192202 Nb\n0.399479 0.899479 0.798958 Fe\n0.100521 0.600521 0.201042 Fe\n0.100521 0.899479 0.500000 Fe\n0.399479 0.600521 0.500000 Fe\n0.600521 0.399479 0.500000 Fe\n0.899479 0.100521 0.500000 Fe\n0.899479 0.399479 0.798958 Fe\n0.600521 0.100521 0.201042 Fe\n0.290849 0.290849 0.581699 Si\n0.709151 0.709151 0.418301 Si\n0.709151 0.290849 0.000000 Si\n0.290849 0.709151 0.000000 Si\n0.000000 0.297086 0.297086 Si\n0.000000 0.702914 0.702914 Si\n0.702914 0.000000 0.702914 Si\n0.297086 0.000000 0.297086 Si\n0.500000 0.905720 0.405720 Si\n0.500000 0.094280 0.594280 Si\n0.094280 0.500000 0.594280 Si\n0.905720 0.500000 0.405720 Si\n0.750641 0.750641 0.000000 Si\n0.249359 0.249359 0.000000 Si\n",
"nsites": 30,
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"elements": [
"Nb",
"Fe",
"Si"
],
"chemical_system": "Fe-Nb-Si",
"density": 6.627655365935059,
"density_atomic": 0.0756299978167554,
"volume": 396.6680003440866,
"volume_molar": 7.962635110199392,
"formula_full": "Nb8 Fe8 Si14",
"formula_reduced": "Nb4Fe4Si7",
"formula_anonymous": "A4B4C7",
"energy": -241.81927381000003,
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"updated_at": "2021-11-28T01:37:38.225000Z",
"spacegroup": 139
},
{
"id": "mp-29981",
"created_at": "2022-09-04T14:47:07.079972Z",
"structure_string": "Nb7 B4 C4\n1.0\n-1.578308 1.619283 16.298942\n1.578308 -1.619283 16.298942\n1.578308 1.619283 -16.298942\nNb B C\n7 4 4\ndirect\n0.000000 0.000000 0.000000 Nb\n0.081690 0.581690 0.500000 Nb\n0.918310 0.418310 0.500000 Nb\n0.214346 0.714346 0.500000 Nb\n0.785654 0.285654 0.500000 Nb\n0.647870 0.147870 0.500000 Nb\n0.352130 0.852130 0.500000 Nb\n0.471608 0.471608 0.000000 B\n0.443171 0.943171 0.500000 B\n0.556829 0.056829 0.500000 B\n0.528392 0.528392 0.000000 B\n0.715308 0.215308 0.500000 C\n0.852799 0.352799 0.500000 C\n0.284692 0.784692 0.500000 C\n0.147201 0.647201 0.500000 C\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Nb",
"B",
"C"
],
"chemical_system": "B-C-Nb",
"density": 7.391002034178809,
"density_atomic": 0.09002379960253985,
"volume": 166.6226049803035,
"volume_molar": 6.689498539928431,
"formula_full": "Nb7 B4 C4",
"formula_reduced": "Nb7(BC)4",
"formula_anonymous": "A4B4C7",
"energy": -143.7471889,
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"updated_at": "2021-11-28T01:37:52.597000Z",
"spacegroup": 71
},
{
"id": "mp-1228096",
"created_at": "2022-09-04T14:48:20.195720Z",
"structure_string": "K48 Cu48 Sn84\n1.0\n-0.000015 17.795205 -0.000015\n0.000012 -0.000015 17.794433\n17.794433 -0.000015 0.000012\nK Cu Sn\n48 48 84\ndirect\n0.607147 0.182669 0.892885 K\n0.607149 0.317332 0.607113 K\n0.892851 0.182669 0.607116 K\n0.892850 0.317332 0.892885 K\n0.607149 0.607113 0.317332 K\n0.607147 0.892885 0.182669 K\n0.892851 0.607116 0.182669 K\n0.892850 0.892885 0.317332 K\n0.318317 0.604957 0.604957 K\n0.181678 0.604956 0.895047 K\n0.181678 0.895047 0.604956 K\n0.318325 0.895041 0.895041 K\n0.395205 0.818300 0.104988 K\n0.395204 0.681700 0.395009 K\n0.104795 0.818302 0.395013 K\n0.104792 0.681698 0.104988 K\n0.395204 0.395009 0.681700 K\n0.395205 0.104988 0.818300 K\n0.104795 0.395013 0.818302 K\n0.104792 0.104988 0.681698 K\n0.681760 0.395130 0.395130 K\n0.818243 0.395132 0.104866 K\n0.818243 0.104866 0.395132 K\n0.681756 0.104868 0.104868 K\n0.022372 0.750001 0.750001 K\n0.477623 0.749997 0.749997 K\n0.750001 0.024599 0.749997 K\n0.750001 0.475402 0.749999 K\n0.750001 0.749997 0.024599 K\n0.750001 0.749999 0.475402 K\n0.977437 0.249999 0.249999 K\n0.522572 0.249998 0.249998 K\n0.249999 0.977515 0.250002 K\n0.250001 0.522481 0.250001 K\n0.249999 0.250002 0.977515 K\n0.250001 0.250001 0.522481 K\n0.750000 0.250003 0.250003 K\n0.250002 0.750000 0.250003 K\n0.250002 0.250003 0.750000 K\n0.249995 0.750002 0.750002 K\n0.845091 0.845162 0.654838 K\n0.845091 0.654838 0.845162 K\n0.654910 0.845164 0.845164 K\n0.654908 0.654837 0.654837 K\n0.154881 0.154881 0.345124 K\n0.154881 0.345124 0.154881 K\n0.345116 0.154878 0.154878 K\n0.345122 0.345119 0.345119 K\n0.105216 0.506481 0.394865 Cu\n0.105216 0.993519 0.105136 Cu\n0.394781 0.506481 0.105135 Cu\n0.394785 0.993519 0.394862 Cu\n0.105216 0.105136 0.993519 Cu\n0.105216 0.394865 0.506481 Cu\n0.394781 0.105135 0.506481 Cu\n0.394785 0.394862 0.993519 Cu\n0.993602 0.105076 0.105076 Cu\n0.506395 0.105092 0.394908 Cu\n0.506395 0.394908 0.105092 Cu\n0.993604 0.394919 0.394919 Cu\n0.895130 0.493546 0.605084 Cu\n0.895129 0.006454 0.894918 Cu\n0.604872 0.493547 0.894918 Cu\n0.604871 0.006454 0.605084 Cu\n0.895129 0.894918 0.006454 Cu\n0.895130 0.605084 0.493546 Cu\n0.604872 0.894918 0.493547 Cu\n0.604871 0.605084 0.006454 Cu\n0.006740 0.894963 0.894963 Cu\n0.493249 0.894921 0.605079 Cu\n0.493249 0.605079 0.894921 Cu\n0.006743 0.605045 0.605045 Cu\n0.044032 0.635556 0.456058 Cu\n0.044032 0.864442 0.043942 Cu\n0.455972 0.635549 0.043941 Cu\n0.455969 0.864447 0.456061 Cu\n0.044032 0.043942 0.864442 Cu\n0.044032 0.456058 0.635556 Cu\n0.455972 0.043941 0.635549 Cu\n0.455969 0.456061 0.864447 Cu\n0.864497 0.043977 0.043977 Cu\n0.635505 0.043977 0.456021 Cu\n0.635505 0.456021 0.043977 Cu\n0.864495 0.456023 0.456023 Cu\n0.956179 0.364588 0.543790 Cu\n0.956180 0.135413 0.956210 Cu\n0.543820 0.364587 0.956210 Cu\n0.543824 0.135409 0.543793 Cu\n0.956180 0.956210 0.135413 Cu\n0.956179 0.543790 0.364588 Cu\n0.543820 0.956210 0.364587 Cu\n0.543824 0.543793 0.135409 Cu\n0.135407 0.956065 0.956065 Cu\n0.364592 0.956063 0.543934 Cu\n0.364592 0.543934 0.956063 Cu\n0.135409 0.543936 0.543936 Cu\n0.640424 0.640366 0.859634 Sn\n0.640424 0.859634 0.640366 Sn\n0.859577 0.640366 0.640366 Sn\n0.859577 0.859634 0.859634 Sn\n0.359486 0.359596 0.140404 Sn\n0.359486 0.140404 0.359596 Sn\n0.140515 0.359596 0.359596 Sn\n0.140515 0.140404 0.140404 Sn\n0.499906 0.499981 0.000019 Sn\n0.499906 0.000019 0.499981 Sn\n0.000095 0.499981 0.499981 Sn\n0.000095 0.000019 0.000019 Sn\n0.536488 0.740788 0.963418 Sn\n0.536488 0.759212 0.536582 Sn\n0.963512 0.740789 0.536583 Sn\n0.963512 0.759211 0.963418 Sn\n0.536488 0.536582 0.759212 Sn\n0.536488 0.963418 0.740788 Sn\n0.963512 0.536583 0.740789 Sn\n0.963512 0.963418 0.759211 Sn\n0.759546 0.536535 0.536535 Sn\n0.740453 0.536534 0.963464 Sn\n0.740453 0.963464 0.536534 Sn\n0.759549 0.963466 0.963466 Sn\n0.463241 0.258932 0.036652 Sn\n0.463242 0.241067 0.463346 Sn\n0.036759 0.258933 0.463346 Sn\n0.036759 0.241067 0.036654 Sn\n0.463242 0.463346 0.241067 Sn\n0.463241 0.036652 0.258932 Sn\n0.036759 0.463346 0.258933 Sn\n0.036759 0.036654 0.241067 Sn\n0.241097 0.463229 0.463229 Sn\n0.258903 0.463229 0.036772 Sn\n0.258903 0.036772 0.463229 Sn\n0.241094 0.036768 0.036768 Sn\n0.572688 0.129037 0.697993 Sn\n0.572689 0.370963 0.802007 Sn\n0.927312 0.129037 0.802008 Sn\n0.927312 0.370963 0.697993 Sn\n0.572689 0.802007 0.370963 Sn\n0.572688 0.697993 0.129037 Sn\n0.927312 0.802008 0.129037 Sn\n0.927312 0.697993 0.370963 Sn\n0.697762 0.572786 0.129081 Sn\n0.802238 0.572786 0.370919 Sn\n0.802238 0.927214 0.129081 Sn\n0.697763 0.927214 0.370919 Sn\n0.370918 0.572867 0.802009 Sn\n0.129082 0.572868 0.697991 Sn\n0.129083 0.927133 0.802009 Sn\n0.370918 0.927133 0.697991 Sn\n0.129082 0.697991 0.572868 Sn\n0.370918 0.802009 0.572867 Sn\n0.129083 0.802009 0.927133 Sn\n0.370918 0.697991 0.927133 Sn\n0.802238 0.370919 0.572786 Sn\n0.697762 0.129081 0.572786 Sn\n0.802238 0.129081 0.927214 Sn\n0.697763 0.370919 0.927214 Sn\n0.427142 0.871051 0.302300 Sn\n0.427142 0.628950 0.197700 Sn\n0.072859 0.871051 0.197700 Sn\n0.072859 0.628950 0.302300 Sn\n0.427142 0.197700 0.628950 Sn\n0.427142 0.302300 0.871051 Sn\n0.072859 0.197700 0.871051 Sn\n0.072859 0.302300 0.628950 Sn\n0.301990 0.427233 0.871047 Sn\n0.198010 0.427233 0.628953 Sn\n0.198011 0.072767 0.871047 Sn\n0.301990 0.072767 0.628953 Sn\n0.628870 0.427249 0.197742 Sn\n0.871130 0.427248 0.302258 Sn\n0.871130 0.072752 0.197742 Sn\n0.628870 0.072752 0.302259 Sn\n0.871130 0.302258 0.427248 Sn\n0.628870 0.197742 0.427249 Sn\n0.871130 0.197742 0.072752 Sn\n0.628870 0.302259 0.072752 Sn\n0.198010 0.628953 0.427233 Sn\n0.301990 0.871047 0.427233 Sn\n0.198011 0.871047 0.072767 Sn\n0.301990 0.628953 0.072767 Sn\n",
"nsites": 180,
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"elements": [
"K",
"Cu",
"Sn"
],
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"density": 4.390583838110194,
"density_atomic": 0.031944875596535506,
"volume": 5634.706557427365,
"volume_molar": 18.851664461179226,
"formula_full": "K48 Cu48 Sn84",
"formula_reduced": "K4Cu4Sn7",
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"energy": -623.42379095,
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"updated_at": "2021-11-28T01:38:45.985000Z",
"spacegroup": 111
},
{
"id": "mp-22233",
"created_at": "2022-09-04T14:46:55.557006Z",
"structure_string": "Zr8 Co8 Ge14\n1.0\n-6.642496 6.642496 2.625381\n6.642496 -6.642496 2.625381\n6.642496 6.642496 -2.625381\nZr Co Ge\n8 8 14\ndirect\n0.861274 0.861274 0.722547 Zr\n0.138726 0.861274 0.000000 Zr\n0.861274 0.138726 0.000000 Zr\n0.138726 0.138726 0.277453 Zr\n0.304349 0.500000 0.804349 Zr\n0.500000 0.304349 0.804349 Zr\n0.500000 0.695651 0.195651 Zr\n0.695651 0.500000 0.195651 Zr\n0.101694 0.601694 0.203388 Co\n0.898306 0.101694 0.500000 Co\n0.601694 0.398306 0.500000 Co\n0.398306 0.898306 0.796612 Co\n0.898306 0.398306 0.796612 Co\n0.101694 0.898306 0.500000 Co\n0.398306 0.601694 0.500000 Co\n0.601694 0.101694 0.203388 Co\n0.707980 0.707980 0.415959 Ge\n0.292020 0.707980 0.000000 Ge\n0.707980 0.292020 0.000000 Ge\n0.292020 0.292020 0.584041 Ge\n0.706676 0.000000 0.706676 Ge\n0.000000 0.706676 0.706676 Ge\n0.000000 0.293324 0.293324 Ge\n0.293324 0.000000 0.293324 Ge\n0.093935 0.500000 0.593935 Ge\n0.500000 0.093935 0.593935 Ge\n0.500000 0.906065 0.406065 Ge\n0.906065 0.500000 0.406065 Ge\n0.249302 0.249302 0.000000 Ge\n0.750698 0.750698 0.000000 Ge\n",
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"formula_full": "Zr8 Co8 Ge14",
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