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{
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{
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{
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"formula_full": "In4 Ni2 N4",
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{
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"created_at": "2022-09-04T14:41:26.585107Z",
"structure_string": "Ga2 Te5\n1.0\n-4.102513 4.102513 3.485970\n4.102513 -4.102513 3.485970\n4.102513 4.102513 -3.485970\nGa Te\n2 5\ndirect\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ga\n0.177878 0.673824 0.851702 Te\n0.822122 0.326176 0.148298 Te\n0.673824 0.822122 0.495946 Te\n0.326176 0.177878 0.504054 Te\n0.000000 0.000000 0.000000 Te\n",
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{
"id": "mp-1080190",
"created_at": "2022-09-04T14:41:28.450155Z",
"structure_string": "Ti12 N16\n1.0\n4.267302 -7.391185 0.000000\n4.267302 7.391185 0.000000\n0.000000 0.000000 6.333024\nTi N\n12 16\ndirect\n0.914993 0.420074 0.191152 Ti\n0.579926 0.494919 0.191152 Ti\n0.505081 0.085007 0.191152 Ti\n0.420074 0.914993 0.691152 Ti\n0.494919 0.579926 0.691152 Ti\n0.085007 0.505081 0.691152 Ti\n0.745762 0.919106 0.977823 Ti\n0.080894 0.826656 0.977823 Ti\n0.173344 0.254238 0.977823 Ti\n0.919106 0.745762 0.477823 Ti\n0.826656 0.080894 0.477823 Ti\n0.254238 0.173344 0.477823 Ti\n0.000000 0.000000 0.967792 N\n0.000000 0.000000 0.467792 N\n0.666667 0.333333 0.126001 N\n0.333333 0.666667 0.626001 N\n0.339166 0.955070 0.962363 N\n0.044930 0.384097 0.962363 N\n0.615903 0.660834 0.962363 N\n0.955070 0.339166 0.462363 N\n0.384097 0.044930 0.462363 N\n0.660834 0.615903 0.462363 N\n0.684375 0.013160 0.225831 N\n0.986840 0.671215 0.225831 N\n0.328785 0.315625 0.225831 N\n0.013160 0.684375 0.725831 N\n0.671215 0.986840 0.725831 N\n0.315625 0.328785 0.725831 N\n",
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"formula_full": "Ti12 N16",
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"energy": -270.23066452,
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"spacegroup": 159
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{
"id": "mp-768315",
"created_at": "2022-09-04T14:41:26.598698Z",
"structure_string": "Mg4 I8 O24\n1.0\n5.303923 0.000000 0.000000\n0.000000 6.750600 0.000000\n0.000000 0.000000 14.780552\nMg I O\n4 8 24\ndirect\n0.750000 0.139235 0.000000 Mg\n0.250000 0.860765 0.000000 Mg\n0.250000 0.360765 0.500000 Mg\n0.750000 0.639235 0.500000 Mg\n0.251758 0.285571 0.149774 I\n0.751758 0.714429 0.149774 I\n0.751758 0.214429 0.350226 I\n0.251758 0.785571 0.350226 I\n0.748242 0.214429 0.649774 I\n0.248242 0.785571 0.649774 I\n0.248242 0.285571 0.850226 I\n0.748242 0.714429 0.850226 I\n0.419831 0.102714 0.076893 O\n0.919831 0.897286 0.076893 O\n0.966409 0.333775 0.081085 O\n0.466409 0.666225 0.081085 O\n0.630418 0.376653 0.262931 O\n0.130418 0.623347 0.262931 O\n0.130418 0.123347 0.237069 O\n0.630418 0.876653 0.237069 O\n0.466409 0.166225 0.418915 O\n0.966409 0.833775 0.418915 O\n0.919831 0.397286 0.423107 O\n0.419831 0.602714 0.423107 O\n0.580169 0.397286 0.576893 O\n0.080169 0.602714 0.576893 O\n0.033591 0.166225 0.581085 O\n0.533591 0.833775 0.581085 O\n0.369582 0.123347 0.762931 O\n0.869582 0.876653 0.762931 O\n0.869582 0.376653 0.737069 O\n0.369582 0.623347 0.737069 O\n0.533591 0.333775 0.918915 O\n0.033591 0.666225 0.918915 O\n0.080169 0.102714 0.923107 O\n0.580169 0.897286 0.923107 O\n",
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"formula_full": "Mg4 I8 O24",
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{
"id": "mp-676804",
"created_at": "2022-09-04T14:41:25.138445Z",
"structure_string": "Ho6 Ta2 O14\n1.0\n5.443774 0.000000 0.000000\n0.000000 7.532221 0.000000\n0.000000 3.401597 7.363793\nHo Ta O\n6 2 14\ndirect\n0.493784 0.998021 0.006276 Ho\n0.506216 0.498021 0.006276 Ho\n0.970619 0.406298 0.769750 Ho\n0.029381 0.906298 0.769750 Ho\n0.963403 0.085482 0.243985 Ho\n0.036597 0.585482 0.243985 Ho\n0.491365 0.237894 0.506260 Ta\n0.508635 0.737894 0.506260 Ta\n0.712765 0.246841 0.004450 O\n0.189186 0.148632 0.833381 O\n0.287235 0.746841 0.004450 O\n0.703842 0.953983 0.483222 O\n0.302321 0.636546 0.713672 O\n0.304852 0.856916 0.294595 O\n0.810814 0.648632 0.833381 O\n0.761922 0.558487 0.509604 O\n0.296158 0.453983 0.483222 O\n0.163925 0.354291 0.135959 O\n0.697679 0.136546 0.713672 O\n0.695148 0.356916 0.294595 O\n0.238078 0.058487 0.509604 O\n0.836075 0.854291 0.135959 O\n",
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{
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"structure_string": "Mg1 Sc1 Cu3 Se4\n1.0\n5.837120 -0.000032 0.000029\n-0.000032 5.837192 -0.000019\n0.000029 -0.000019 5.836884\nMg Sc Cu Se\n1 1 3 4\ndirect\n0.500001 0.500002 0.499996 Mg\n0.000004 0.999998 0.999999 Sc\n0.999999 0.500001 0.000002 Cu\n0.000004 0.000002 0.499999 Cu\n0.499998 0.000000 0.000001 Cu\n0.248097 0.248095 0.248091 Se\n0.751901 0.751900 0.248095 Se\n0.248096 0.751904 0.751912 Se\n0.751900 0.248099 0.751905 Se\n",
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{
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"structure_string": "Er2 Nb2 O8\n1.0\n5.516030 3.561833 0.000000\n-5.516030 3.561833 0.000000\n0.000000 3.438422 3.807787\nEr Nb O\n2 2 8\ndirect\n0.627943 0.372057 0.750000 Er\n0.372057 0.627943 0.250000 Er\n0.109227 0.890773 0.750000 Nb\n0.890773 0.109227 0.250000 Nb\n0.780627 0.715836 0.205799 O\n0.284164 0.219373 0.294201 O\n0.219373 0.284164 0.794201 O\n0.715836 0.780627 0.705799 O\n0.374129 0.951403 0.839976 O\n0.048597 0.625871 0.660024 O\n0.625871 0.048597 0.160024 O\n0.951403 0.374129 0.339976 O\n",
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{
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