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{
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{
"id": "mp-607953",
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"structure_string": "Fe2 Se2 Br14\n1.0\n6.753771 0.000000 0.000000\n0.000000 6.861730 0.000000\n0.000000 2.968186 14.433064\nFe Se Br\n2 2 14\ndirect\n0.501495 0.446403 0.140185 Fe\n0.498505 0.446403 0.640185 Fe\n0.915049 0.153366 0.303592 Se\n0.084951 0.153366 0.803592 Se\n0.154884 0.472203 0.133279 Br\n0.874589 0.278225 0.907409 Br\n0.309171 0.958489 0.910168 Br\n0.690829 0.958489 0.410168 Br\n0.388441 0.119343 0.641140 Br\n0.376849 0.516242 0.781061 Br\n0.611559 0.119343 0.141140 Br\n0.891266 0.894051 0.763388 Br\n0.642679 0.664978 0.012578 Br\n0.623151 0.516242 0.281061 Br\n0.357321 0.664978 0.512578 Br\n0.108734 0.894051 0.263388 Br\n0.125411 0.278225 0.407409 Br\n0.845116 0.472203 0.633279 Br\n",
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{
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"nsites": 5,
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},
{
"id": "mp-569387",
"created_at": "2022-09-04T14:43:33.577320Z",
"structure_string": "Cs2 Lu7 C1 Cl18\n1.0\n9.567467 -4.970505 0.000000\n9.567467 4.970505 0.000000\n6.985184 0.000000 8.212768\nCs Lu C Cl\n2 7 1 18\ndirect\n0.222204 0.222204 0.222204 Cs\n0.777796 0.777796 0.777796 Cs\n0.223710 0.822597 0.108247 Lu\n0.822597 0.108247 0.223710 Lu\n0.177403 0.891753 0.776290 Lu\n0.776290 0.177403 0.891753 Lu\n0.500000 0.500000 0.500000 Lu\n0.891753 0.776290 0.177403 Lu\n0.108247 0.223710 0.822597 Lu\n0.000000 0.000000 0.000000 C\n0.870391 0.421959 0.715249 Cl\n0.643117 0.216443 0.474743 Cl\n0.656461 0.946978 0.067170 Cl\n0.053022 0.932830 0.343539 Cl\n0.474743 0.643117 0.216443 Cl\n0.715249 0.870391 0.421959 Cl\n0.578041 0.284751 0.129609 Cl\n0.783557 0.525257 0.356883 Cl\n0.067170 0.656461 0.946978 Cl\n0.421959 0.715249 0.870391 Cl\n0.284751 0.129609 0.578041 Cl\n0.129609 0.578041 0.284751 Cl\n0.932830 0.343539 0.053022 Cl\n0.356883 0.783557 0.525257 Cl\n0.216443 0.474743 0.643117 Cl\n0.525257 0.356883 0.783557 Cl\n0.343539 0.053022 0.932830 Cl\n0.946978 0.067170 0.656461 Cl\n",
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"elements": [
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"density": 4.550896065322819,
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"volume": 781.1187061181275,
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"formula_full": "Cs2 Lu7 C1 Cl18",
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},
{
"id": "mp-5749",
"created_at": "2022-09-04T14:43:24.430900Z",
"structure_string": "Cr2 Fe1 Se4\n1.0\n1.846435 6.497617 0.000000\n-1.846435 6.497617 0.000000\n0.000000 3.117255 5.575465\nCr Fe Se\n2 1 4\ndirect\n0.744334 0.744334 0.239342 Cr\n0.255666 0.255666 0.760658 Cr\n0.000000 0.000000 0.000000 Fe\n0.369705 0.369705 0.295224 Se\n0.630295 0.630295 0.704776 Se\n0.877970 0.877970 0.791352 Se\n0.122030 0.122030 0.208648 Se\n",
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"volume": 133.7824736236785,
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"formula_full": "Cr2 Fe1 Se4",
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"spacegroup": 12
},
{
"id": "mp-1199327",
"created_at": "2022-09-04T14:43:21.806729Z",
"structure_string": "V4 Te4 H44 N8 O32\n1.0\n7.483186 0.000000 0.000000\n0.000000 17.117634 0.000000\n-3.834132 0.000000 6.586331\nV Te H N O\n4 4 44 8 32\ndirect\n0.050846 0.103438 0.102363 V\n0.050846 0.396562 0.602363 V\n0.949154 0.896562 0.897637 V\n0.949154 0.603438 0.397637 V\n0.627590 0.017816 0.895726 Te\n0.627590 0.482184 0.395726 Te\n0.372410 0.982184 0.104274 Te\n0.372410 0.517816 0.604274 Te\n0.380837 0.050434 0.527785 H\n0.380837 0.449566 0.027785 H\n0.619163 0.949566 0.472215 H\n0.619163 0.550434 0.972215 H\n0.724459 0.191637 0.719015 H\n0.724459 0.308363 0.219015 H\n0.275541 0.808363 0.280985 H\n0.275541 0.691637 0.780985 H\n0.823384 0.265741 0.675652 H\n0.823384 0.234259 0.175652 H\n0.176616 0.734259 0.324348 H\n0.176616 0.765741 0.824348 H\n0.472878 0.233630 0.892426 H\n0.472878 0.266370 0.392426 H\n0.527122 0.766370 0.107574 H\n0.527122 0.733630 0.607574 H\n0.251333 0.255131 0.667194 H\n0.251333 0.244869 0.167194 H\n0.748667 0.744869 0.332806 H\n0.748667 0.755131 0.832806 H\n0.245659 0.197254 0.850472 H\n0.245659 0.302746 0.350472 H\n0.754341 0.802746 0.149528 H\n0.754341 0.697254 0.649528 H\n0.350640 0.162080 0.716315 H\n0.350640 0.337920 0.216315 H\n0.649360 0.837920 0.283685 H\n0.649360 0.662080 0.783685 H\n0.821663 0.136150 0.547019 H\n0.821663 0.363850 0.047019 H\n0.178337 0.863850 0.452981 H\n0.178337 0.636150 0.952981 H\n0.785155 0.047105 0.434347 H\n0.785155 0.452895 0.934347 H\n0.214845 0.952895 0.565653 H\n0.214845 0.547105 0.065653 H\n0.990347 0.060796 0.669402 H\n0.990347 0.439204 0.169402 H\n0.009653 0.939204 0.330598 H\n0.009653 0.560796 0.830598 H\n0.974425 0.106130 0.455765 H\n0.974425 0.393870 0.955765 H\n0.025575 0.893870 0.544235 H\n0.025575 0.606130 0.044235 H\n0.329843 0.212300 0.779819 N\n0.329843 0.287700 0.279819 N\n0.670157 0.787700 0.220181 N\n0.670157 0.712300 0.720181 N\n0.894156 0.087663 0.527398 N\n0.894156 0.412337 0.027398 N\n0.105844 0.912337 0.472602 N\n0.105844 0.587663 0.972602 N\n0.903044 0.994168 0.112490 O\n0.903044 0.505832 0.612490 O\n0.096956 0.005832 0.887510 O\n0.096956 0.494168 0.387510 O\n0.688082 0.952311 0.724552 O\n0.688082 0.547689 0.224552 O\n0.311918 0.047689 0.275448 O\n0.311918 0.452311 0.775448 O\n0.524402 0.069760 0.062677 O\n0.524402 0.430240 0.562677 O\n0.475598 0.930240 0.937323 O\n0.475598 0.569760 0.437323 O\n0.368056 0.051230 0.652797 O\n0.368056 0.448770 0.152797 O\n0.631944 0.948770 0.347203 O\n0.631944 0.551230 0.847203 O\n0.133885 0.171165 0.997619 O\n0.133885 0.328835 0.497619 O\n0.866115 0.828835 0.002381 O\n0.866115 0.671165 0.502381 O\n0.761412 0.111875 0.879005 O\n0.761412 0.388125 0.379005 O\n0.238588 0.888125 0.120995 O\n0.238588 0.611875 0.620995 O\n0.042474 0.151602 0.289973 O\n0.042474 0.348398 0.789973 O\n0.957526 0.848398 0.710027 O\n0.957526 0.651602 0.210027 O\n0.716123 0.225160 0.608336 O\n0.716123 0.274840 0.108336 O\n0.283877 0.774840 0.391664 O\n0.283877 0.725160 0.891664 O\n",
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"formula_full": "V4 Te4 H44 N8 O32",
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{
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"structure_string": "Au6 Cl6 O6\n1.0\n4.590135 -6.991942 0.000000\n4.590135 6.991942 0.000000\n-6.060370 0.000000 5.764417\nAu Cl O\n6 6 6\ndirect\n0.416677 0.767225 0.297108 Au\n0.767225 0.297108 0.416677 Au\n0.297108 0.416677 0.767225 Au\n0.583323 0.232775 0.702892 Au\n0.232775 0.702892 0.583323 Au\n0.702892 0.583323 0.232775 Au\n0.912402 0.866422 0.616925 Cl\n0.616925 0.912402 0.866422 Cl\n0.866422 0.616925 0.912402 Cl\n0.087598 0.133578 0.383075 Cl\n0.383075 0.087598 0.133578 Cl\n0.133578 0.383075 0.087598 Cl\n0.531709 0.690285 0.129290 O\n0.690285 0.129290 0.531709 O\n0.129290 0.531709 0.690285 O\n0.468291 0.309715 0.870710 O\n0.309715 0.870710 0.468291 O\n0.870710 0.468291 0.309715 O\n",
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{
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{
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"structure_string": "Cu4 P16 S12 I4\n1.0\n4.088825 -11.063391 0.000000\n4.088825 11.063391 0.000000\n0.000000 0.000000 10.909665\nCu P S I\n4 16 12 4\ndirect\n0.796455 0.796455 0.500000 Cu\n0.296455 0.296455 0.000000 Cu\n0.703545 0.703545 0.000000 Cu\n0.203545 0.203545 0.500000 Cu\n0.619759 0.380241 0.293642 P\n0.282770 0.717230 0.473283 P\n0.444583 0.280705 0.459055 P\n0.719295 0.555417 0.459055 P\n0.055417 0.219295 0.959055 P\n0.944583 0.780705 0.040945 P\n0.880241 0.119759 0.793642 P\n0.780705 0.944583 0.959055 P\n0.119759 0.880241 0.206358 P\n0.219295 0.055417 0.040945 P\n0.217230 0.782770 0.973283 P\n0.555417 0.719295 0.540945 P\n0.717230 0.282770 0.526717 P\n0.380241 0.619759 0.706358 P\n0.280705 0.444583 0.540945 P\n0.782770 0.217230 0.026717 P\n0.143609 0.459892 0.436341 S\n0.286965 0.713035 0.668591 S\n0.540108 0.856391 0.436341 S\n0.786965 0.213035 0.831409 S\n0.643609 0.959892 0.063659 S\n0.713035 0.286965 0.331409 S\n0.856391 0.540108 0.563659 S\n0.040108 0.356391 0.063659 S\n0.959892 0.643609 0.936341 S\n0.213035 0.786965 0.168591 S\n0.459892 0.143609 0.563659 S\n0.356391 0.040108 0.936341 S\n0.468210 0.531790 0.176491 I\n0.968210 0.031790 0.323509 I\n0.531790 0.468210 0.823509 I\n0.031790 0.968210 0.676491 I\n",
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{
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"structure_string": "Sm2 V2 O8\n1.0\n-3.679088 3.679088 3.222936\n3.679088 -3.679088 3.222936\n3.679088 3.679088 -3.222936\nSm V O\n2 2 8\ndirect\n0.250000 0.750000 0.500000 Sm\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.000000 V\n0.750000 0.250000 0.500000 V\n0.326875 0.145105 0.818230 O\n0.326875 0.508645 0.181770 O\n0.854895 0.673125 0.181770 O\n0.923125 0.241355 0.318230 O\n0.923125 0.604895 0.681770 O\n0.491355 0.673125 0.818230 O\n0.758645 0.076875 0.681770 O\n0.395105 0.076875 0.318230 O\n",
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