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{
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{
"id": "mp-1233699",
"created_at": "2022-09-04T14:41:20.605197Z",
"structure_string": "Sr6 Mg1 Te8 O22\n1.0\n7.502240 0.193425 -2.625667\n-2.464870 8.850077 -1.444308\n-0.057014 -0.134955 9.776626\nSr Mg Te O\n6 1 8 22\ndirect\n0.285789 0.036408 0.130923 Sr\n0.708145 0.915435 0.844164 Sr\n0.828203 0.114075 0.253405 Sr\n0.187525 0.926579 0.701511 Sr\n0.297077 0.505102 0.631062 Sr\n0.711193 0.484454 0.414958 Sr\n0.806983 0.004972 0.528041 Mg\n0.095567 0.397179 0.212776 Te\n0.960802 0.635155 0.837886 Te\n0.059839 0.261659 0.815287 Te\n0.962181 0.779389 0.242289 Te\n0.451796 0.702233 0.046752 Te\n0.584203 0.304598 0.978321 Te\n0.456509 0.766181 0.433236 Te\n0.519193 0.169208 0.562662 Te\n0.997076 0.537545 0.660052 O\n0.998279 0.433518 0.364295 O\n0.392367 0.549220 0.397652 O\n0.578795 0.379651 0.610414 O\n0.855125 0.257141 0.063048 O\n0.189161 0.796288 0.908436 O\n0.728691 0.120095 0.695617 O\n0.228458 0.870799 0.307799 O\n0.374998 0.791399 0.596156 O\n0.619459 0.125466 0.411033 O\n0.047380 0.163701 0.622572 O\n0.940980 0.915250 0.403377 O\n0.553110 0.274438 0.155617 O\n0.512425 0.683014 0.874283 O\n0.546127 0.912552 0.125181 O\n0.488311 0.102227 0.863364 O\n0.913308 0.898880 0.100580 O\n0.077165 0.085456 0.887611 O\n0.180737 0.233282 0.272722 O\n0.717301 0.806811 0.572182 O\n0.665165 0.647708 0.182374 O\n0.322244 0.359362 0.875696 O\n",
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"volume_molar": 10.581707480566195,
"formula_full": "Sr6 Mg1 Te8 O22",
"formula_reduced": "Sr6Mg(Te4O11)2",
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"updated_at": "2021-11-28T01:35:17.647000Z",
"spacegroup": 1
},
{
"id": "mp-1234234",
"created_at": "2022-09-04T14:45:55.884268Z",
"structure_string": "Sr6 Mg1 Te8 O22\n1.0\n7.664817 -0.019291 -2.468630\n-2.855415 8.823996 -1.593473\n0.086996 -0.280921 9.595844\nSr Mg Te O\n6 1 8 22\ndirect\n0.281888 0.045936 0.151476 Sr\n0.772031 0.966926 0.883884 Sr\n0.828615 0.068860 0.304524 Sr\n0.100349 0.937777 0.640807 Sr\n0.305450 0.505821 0.614364 Sr\n0.701281 0.484451 0.384054 Sr\n0.387134 0.864124 0.864775 Mg\n0.079898 0.363293 0.206309 Te\n0.925184 0.644411 0.790309 Te\n0.049633 0.276092 0.785718 Te\n0.953217 0.716399 0.198603 Te\n0.502083 0.722708 0.096459 Te\n0.537386 0.290550 0.954050 Te\n0.474229 0.804079 0.472096 Te\n0.544051 0.207672 0.571011 Te\n0.998737 0.533818 0.647005 O\n0.004365 0.463383 0.354681 O\n0.412082 0.589595 0.392898 O\n0.601276 0.422593 0.631697 O\n0.849204 0.202042 0.097452 O\n0.140030 0.822169 0.869863 O\n0.745368 0.171454 0.712957 O\n0.296701 0.861446 0.334281 O\n0.367661 0.798058 0.628999 O\n0.614211 0.193877 0.399818 O\n0.029477 0.174030 0.587859 O\n0.928576 0.813125 0.379106 O\n0.474054 0.287452 0.125715 O\n0.524919 0.714385 0.892529 O\n0.507798 0.939726 0.094130 O\n0.432742 0.075196 0.840674 O\n0.939307 0.882062 0.110317 O\n0.060139 0.112126 0.870976 O\n0.189246 0.246022 0.322410 O\n0.796937 0.748430 0.667175 O\n0.703645 0.569419 0.120004 O\n0.332762 0.351922 0.834349 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
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],
"chemical_system": "Mg-O-Sr-Te",
"density": 4.9504983619303955,
"density_atomic": 0.05736734740164815,
"volume": 644.9661989938373,
"volume_molar": 10.497506042656916,
"formula_full": "Sr6 Mg1 Te8 O22",
"formula_reduced": "Sr6Mg(Te4O11)2",
"formula_anonymous": "AB6C8D22",
"energy": -226.72194116,
"energy_per_atom": -6.127620031351351,
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"band_gap": 1.1464999999999996,
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"updated_at": "2021-11-28T01:37:11.056000Z",
"spacegroup": 1
},
{
"id": "mp-1234283",
"created_at": "2022-09-04T14:47:11.828971Z",
"structure_string": "Sr6 Mg1 Te8 O22\n1.0\n7.698746 0.272901 -2.839936\n-2.304113 9.076627 -1.203845\n-0.331501 0.040189 9.788107\nSr Mg Te O\n6 1 8 22\ndirect\n0.363417 0.083586 0.158833 Sr\n0.656423 0.964066 0.887663 Sr\n0.878828 0.085615 0.330963 Sr\n0.158775 0.897408 0.664499 Sr\n0.302448 0.538070 0.614226 Sr\n0.699764 0.476013 0.356696 Sr\n0.013159 0.874700 0.927939 Mg\n0.053158 0.337592 0.193010 Te\n0.868292 0.587100 0.724211 Te\n0.995495 0.222408 0.773377 Te\n0.968665 0.737526 0.219615 Te\n0.436091 0.744768 0.046575 Te\n0.494346 0.316698 0.926783 Te\n0.511443 0.802899 0.459579 Te\n0.502348 0.175749 0.550630 Te\n0.026074 0.621253 0.618750 O\n0.009118 0.411415 0.361742 O\n0.453969 0.596529 0.411203 O\n0.505413 0.356931 0.651433 O\n0.823714 0.210183 0.091324 O\n0.247215 0.848695 0.951022 O\n0.708387 0.124147 0.701597 O\n0.335407 0.855505 0.292130 O\n0.403230 0.820573 0.600571 O\n0.615997 0.219858 0.417663 O\n0.004613 0.110906 0.607889 O\n0.002204 0.870082 0.391005 O\n0.479480 0.318914 0.114873 O\n0.479865 0.708818 0.872018 O\n0.595939 0.931061 0.135228 O\n0.423564 0.113130 0.851170 O\n0.927869 0.874851 0.086709 O\n0.053906 0.090060 0.909034 O\n0.179595 0.198786 0.285217 O\n0.821155 0.787373 0.733241 O\n0.728386 0.643167 0.179842 O\n0.255581 0.357849 0.825351 O\n",
"nsites": 37,
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"elements": [
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],
"chemical_system": "Mg-O-Sr-Te",
"density": 4.679388526640818,
"density_atomic": 0.054225673378551185,
"volume": 682.3336197542776,
"volume_molar": 11.105700279569126,
"formula_full": "Sr6 Mg1 Te8 O22",
"formula_reduced": "Sr6Mg(Te4O11)2",
"formula_anonymous": "AB6C8D22",
"energy": -227.46864987,
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"updated_at": "2021-11-28T01:37:57.833000Z",
"spacegroup": 1
},
{
"id": "mp-1233250",
"created_at": "2022-09-04T14:42:48.844931Z",
"structure_string": "Sr6 Mg1 W4 O18\n1.0\n4.644487 2.949493 5.089899\n-5.668612 3.378499 5.966280\n-0.102753 -5.398192 4.842006\nSr Mg W O\n6 1 4 18\ndirect\n0.220384 0.008909 0.733149 Sr\n0.156548 0.480117 0.787020 Sr\n0.470337 0.710363 0.132333 Sr\n0.721162 0.283736 0.937429 Sr\n0.988687 0.650201 0.258294 Sr\n0.653868 0.997864 0.359932 Sr\n0.736096 0.326778 0.391900 Mg\n0.829917 0.836478 0.823035 W\n0.348317 0.338625 0.329933 W\n0.147746 0.153601 0.159626 W\n0.639225 0.642066 0.649592 W\n0.210994 0.942838 0.134952 O\n0.075647 0.760977 0.861203 O\n0.555604 0.837673 0.786110 O\n0.236971 0.521864 0.433175 O\n0.185307 0.172987 0.429472 O\n0.138412 0.402484 0.147697 O\n0.476523 0.527273 0.788193 O\n0.512891 0.756804 0.453950 O\n0.745096 0.837679 0.082992 O\n0.087775 0.223116 0.893481 O\n0.521846 0.226685 0.512405 O\n0.851935 0.782780 0.556716 O\n0.566580 0.433626 0.201556 O\n0.800890 0.593316 0.860921 O\n0.793056 0.488737 0.515327 O\n0.433191 0.178787 0.138719 O\n0.875575 0.173477 0.233550 O\n0.840850 0.040517 0.746627 O\n",
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"elements": [
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],
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"formula_full": "Sr6 Mg1 W4 O18",
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"energy": -232.70847057,
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"updated_at": "2021-11-28T01:35:53.143000Z",
"spacegroup": 1
},
{
"id": "mp-1233382",
"created_at": "2022-09-04T14:45:53.814738Z",
"structure_string": "Sr6 Mg1 W4 O18\n1.0\n4.961840 2.864720 4.851809\n-4.961840 2.864720 4.851809\n-0.000000 -5.729438 4.851809\nSr Mg W O\n6 1 4 18\ndirect\n0.247852 0.919523 0.578183 Sr\n0.080477 0.421817 0.752148 Sr\n0.421817 0.752148 0.080477 Sr\n0.578183 0.247852 0.919523 Sr\n0.919523 0.578183 0.247852 Sr\n0.752148 0.080477 0.421817 Sr\n0.000000 0.000000 0.000000 Mg\n0.824699 0.824699 0.824699 W\n0.368602 0.368602 0.368602 W\n0.175301 0.175301 0.175301 W\n0.631398 0.631398 0.631398 W\n0.087631 0.939726 0.262656 O\n0.060274 0.737344 0.912369 O\n0.574962 0.887181 0.736683 O\n0.249102 0.587146 0.424999 O\n0.112819 0.263317 0.425038 O\n0.263317 0.425038 0.112819 O\n0.412854 0.575001 0.750898 O\n0.575001 0.750898 0.412854 O\n0.737344 0.912369 0.060274 O\n0.262656 0.087631 0.939726 O\n0.424999 0.249102 0.587146 O\n0.887181 0.736683 0.574962 O\n0.587146 0.424999 0.249102 O\n0.736683 0.574962 0.887181 O\n0.750898 0.412854 0.575001 O\n0.425038 0.112819 0.263317 O\n0.939726 0.262656 0.087631 O\n0.912369 0.060274 0.737344 O\n",
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"elements": [
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],
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"density": 6.313952942785826,
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"formula_full": "Sr6 Mg1 W4 O18",
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"updated_at": "2021-11-28T01:37:09.507000Z",
"spacegroup": 148
},
{
"id": "mp-1234776",
"created_at": "2022-09-04T14:39:46.871520Z",
"structure_string": "Sr6 Mg1 W4 O18\n1.0\n5.064335 2.923895 4.843793\n-5.064335 2.923895 4.843793\n0.000000 -5.847789 4.843793\nSr Mg W O\n6 1 4 18\ndirect\n0.250000 0.907364 0.592636 Sr\n0.041854 0.458146 0.750000 Sr\n0.458146 0.750000 0.041854 Sr\n0.592636 0.250000 0.907364 Sr\n0.907364 0.592636 0.250000 Sr\n0.750000 0.041854 0.458146 Sr\n0.750000 0.750000 0.750000 Mg\n0.970854 0.970854 0.970854 W\n0.344007 0.344007 0.344007 W\n0.155993 0.155993 0.155993 W\n0.529146 0.529146 0.529146 W\n0.109316 0.905813 0.206818 O\n0.085642 0.762564 0.896890 O\n0.557858 0.942142 0.750000 O\n0.293182 0.594187 0.390684 O\n0.096377 0.250000 0.403623 O\n0.250000 0.403623 0.096377 O\n0.414358 0.603110 0.737436 O\n0.603110 0.737436 0.414358 O\n0.762564 0.896890 0.085642 O\n0.206818 0.109316 0.905813 O\n0.390684 0.293182 0.594187 O\n0.942142 0.750000 0.557858 O\n0.594187 0.390684 0.293182 O\n0.750000 0.557858 0.942142 O\n0.737436 0.414358 0.603110 O\n0.403623 0.096377 0.250000 O\n0.905813 0.206818 0.109316 O\n0.896890 0.085642 0.762564 O\n",
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],
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"volume": 430.3491750419122,
"volume_molar": 8.93663209673198,
"formula_full": "Sr6 Mg1 W4 O18",
"formula_reduced": "Sr6Mg(W2O9)2",
"formula_anonymous": "AB4C6D18",
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"updated_at": "2021-11-28T01:34:33.480000Z",
"spacegroup": 155
},
{
"id": "mp-1233164",
"created_at": "2022-09-04T14:43:07.250051Z",
"structure_string": "Sr6 Mg1 W4 O18\n1.0\n5.424116 3.864103 5.882604\n-4.533813 3.485430 5.160189\n0.095806 -5.376112 4.211636\nSr Mg W O\n6 1 4 18\ndirect\n0.235312 0.806328 0.639424 Sr\n0.016058 0.345607 0.759549 Sr\n0.518579 0.737885 0.099088 Sr\n0.481421 0.262115 0.900912 Sr\n0.983942 0.654393 0.240451 Sr\n0.764688 0.193672 0.360576 Sr\n0.500000 0.000000 0.500000 Mg\n0.824899 0.882449 0.823667 W\n0.342245 0.354170 0.355913 W\n0.175101 0.117551 0.176333 W\n0.657755 0.645830 0.644087 W\n0.148044 0.897043 0.269214 O\n0.028560 0.751795 0.868802 O\n0.584371 0.909714 0.776856 O\n0.196670 0.533003 0.503257 O\n0.184457 0.187402 0.458728 O\n0.212936 0.385550 0.112717 O\n0.487401 0.584797 0.796037 O\n0.496096 0.758432 0.451519 O\n0.757369 0.939740 0.085880 O\n0.242631 0.060260 0.914120 O\n0.503904 0.241568 0.548481 O\n0.815543 0.812598 0.541272 O\n0.512599 0.415203 0.203963 O\n0.787064 0.614450 0.887283 O\n0.803330 0.466997 0.496743 O\n0.415629 0.090286 0.223144 O\n0.971440 0.248205 0.131198 O\n0.851956 0.102957 0.730786 O\n",
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"formula_full": "Sr6 Mg1 W4 O18",
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"energy": -232.33668165,
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"updated_at": "2021-11-28T01:36:02.199000Z",
"spacegroup": 2
},
{
"id": "mp-1234368",
"created_at": "2022-09-04T14:42:08.976125Z",
"structure_string": "Sr6 Mg1 W4 O18\n1.0\n5.994097 3.334893 6.030033\n-4.274988 3.047299 4.503007\n0.602484 -5.489669 4.759350\nSr Mg W O\n6 1 4 18\ndirect\n0.277315 0.866886 0.628245 Sr\n0.027787 0.374634 0.736750 Sr\n0.528466 0.735325 0.140539 Sr\n0.454710 0.253887 0.844076 Sr\n0.014755 0.633888 0.225370 Sr\n0.760852 0.057428 0.442354 Sr\n0.774581 0.248477 0.027173 Mg\n0.847853 0.843630 0.846133 W\n0.364603 0.322806 0.319284 W\n0.141392 0.153576 0.155548 W\n0.648362 0.640929 0.660861 W\n0.055029 0.956715 0.295791 O\n0.048244 0.712882 0.841889 O\n0.633088 0.918379 0.794066 O\n0.322258 0.583148 0.398453 O\n0.147290 0.281176 0.418861 O\n0.250905 0.405231 0.101398 O\n0.456662 0.636347 0.815125 O\n0.580629 0.777517 0.461415 O\n0.781140 0.937893 0.107878 O\n0.205741 0.113655 0.885412 O\n0.429293 0.190044 0.521673 O\n0.860740 0.714513 0.568383 O\n0.556172 0.336759 0.153637 O\n0.756481 0.569058 0.892733 O\n0.688555 0.386816 0.581056 O\n0.366244 0.057392 0.188734 O\n0.941741 0.319629 0.126105 O\n0.873754 0.114236 0.776414 O\n",
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"elements": [
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],
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"density": 5.904946629306329,
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{
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{
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}