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{
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{
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"nsites": 20,
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"formula_full": "Ta6 Sn2 S12",
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"updated_at": "2021-11-28T01:36:08.415000Z",
"spacegroup": 193
},
{
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"created_at": "2022-09-04T14:43:16.583956Z",
"structure_string": "Eu6 Ga4 P8\n1.0\n5.057972 6.466967 0.000000\n-5.057972 6.466967 0.000000\n0.000000 0.085390 6.565276\nEu Ga P\n6 4 8\ndirect\n0.748855 0.494785 0.035152 Eu\n0.505215 0.251145 0.464848 Eu\n0.251145 0.505215 0.964848 Eu\n0.494785 0.748855 0.535152 Eu\n0.100408 0.899592 0.250000 Eu\n0.899592 0.100408 0.750000 Eu\n0.081694 0.325197 0.415492 Ga\n0.674803 0.918306 0.084508 Ga\n0.918306 0.674803 0.584508 Ga\n0.325197 0.081694 0.915492 Ga\n0.211526 0.559317 0.474904 P\n0.440683 0.788474 0.025096 P\n0.788474 0.440683 0.525096 P\n0.559317 0.211526 0.974904 P\n0.068985 0.241942 0.067390 P\n0.758058 0.931015 0.432610 P\n0.931015 0.758058 0.932610 P\n0.241942 0.068985 0.567390 P\n",
"nsites": 18,
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"elements": [
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"density": 5.5614582088705475,
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"formula_full": "Eu6 Ga4 P8",
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},
{
"id": "mp-571512",
"created_at": "2022-09-04T14:43:16.585550Z",
"structure_string": "Te2 Pt2\n1.0\n2.131440 -3.691762 0.000000\n2.131440 3.691762 0.000000\n0.000000 0.000000 5.661771\nTe Pt\n2 2\ndirect\n0.333333 0.666667 0.250000 Te\n0.666667 0.333333 0.750000 Te\n0.000000 0.000000 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n",
"nsites": 4,
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"elements": [
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"density": 12.027280029347422,
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"volume": 89.10233849370637,
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"formula_full": "Te2 Pt2",
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"updated_at": "2021-11-28T01:36:15.359000Z",
"spacegroup": 194
},
{
"id": "mp-1206560",
"created_at": "2022-09-04T14:43:16.593525Z",
"structure_string": "Rb2 Fe2 Cl6\n1.0\n3.489828 -6.044559 0.000000\n3.489828 6.044559 0.000000\n0.000000 0.000000 5.872783\nRb Fe Cl\n2 2 6\ndirect\n0.333333 0.666667 0.750000 Rb\n0.666667 0.333333 0.250000 Rb\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.148998 0.297996 0.250000 Cl\n0.851002 0.702004 0.750000 Cl\n0.702004 0.851002 0.250000 Cl\n0.297996 0.148998 0.750000 Cl\n0.148998 0.851002 0.250000 Cl\n0.851002 0.148998 0.750000 Cl\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Cl-Fe-Rb",
"density": 3.319808711307963,
"density_atomic": 0.0403605807416906,
"volume": 247.76650425325687,
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"formula_full": "Rb2 Fe2 Cl6",
"formula_reduced": "RbFeCl3",
"formula_anonymous": "ABC3",
"energy": -45.15008522,
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"updated_at": "2021-11-28T01:36:15.573000Z",
"spacegroup": 194
},
{
"id": "mp-1190063",
"created_at": "2022-09-04T14:43:16.580455Z",
"structure_string": "Tb10 Ge6 B2\n1.0\n4.340158 -7.517374 0.000000\n4.340158 7.517374 0.000000\n0.000000 0.000000 6.411023\nTb Ge B\n10 6 2\ndirect\n0.666667 0.333333 0.000000 Tb\n0.333333 0.666667 0.000000 Tb\n0.333333 0.666667 0.500000 Tb\n0.666667 0.333333 0.500000 Tb\n0.762253 0.762253 0.750000 Tb\n0.237747 0.000000 0.750000 Tb\n0.000000 0.237747 0.750000 Tb\n0.237747 0.237747 0.250000 Tb\n0.762253 0.000000 0.250000 Tb\n0.000000 0.762253 0.250000 Tb\n0.398032 0.398032 0.750000 Ge\n0.601968 0.000000 0.750000 Ge\n0.000000 0.601968 0.750000 Ge\n0.601968 0.601968 0.250000 Ge\n0.398032 0.000000 0.250000 Ge\n0.000000 0.398032 0.250000 Ge\n0.000000 0.000000 0.000000 B\n0.000000 0.000000 0.500000 B\n",
"nsites": 18,
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"elements": [
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"B"
],
"chemical_system": "B-Ge-Tb",
"density": 8.124142788695837,
"density_atomic": 0.04302723881291303,
"volume": 418.33964940827127,
"volume_molar": 13.99611252347589,
"formula_full": "Tb10 Ge6 B2",
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"updated_at": "2021-11-28T01:36:09.212000Z",
"spacegroup": 193
},
{
"id": "mp-818996",
"created_at": "2022-09-04T14:43:16.593927Z",
"structure_string": "K2 Cr2 Cd1 H4 O10\n1.0\n6.044537 0.000000 0.000000\n-2.212431 6.121749 0.000000\n-0.873253 -3.109040 7.039169\nK Cr Cd H O\n2 2 1 4 10\ndirect\n0.863326 0.216935 0.244171 K\n0.136674 0.783065 0.755829 K\n0.195904 0.868837 0.240203 Cr\n0.804096 0.131163 0.759797 Cr\n0.000000 0.000000 0.000000 Cd\n0.320630 0.325940 0.400519 H\n0.679370 0.674060 0.599481 H\n0.307991 0.222700 0.313742 H\n0.692009 0.777300 0.686258 H\n0.489270 0.397210 0.287540 O\n0.907604 0.455627 0.367973 O\n0.092396 0.544373 0.632027 O\n0.006950 0.881264 0.379468 O\n0.993050 0.118736 0.620532 O\n0.238350 0.091560 0.085899 O\n0.761650 0.908440 0.914101 O\n0.647894 0.079834 0.118679 O\n0.352106 0.920166 0.881321 O\n0.510730 0.602790 0.712460 O\n",
"nsites": 19,
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"elements": [
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],
"chemical_system": "Cd-Cr-H-K-O",
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"formula_full": "K2 Cr2 Cd1 H4 O10",
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{
"id": "mp-19139",
"created_at": "2022-09-04T14:43:16.596900Z",
"structure_string": "Mg4 Mo6 O16\n1.0\n3.139779 -5.438256 0.000000\n3.139779 5.438256 0.000000\n0.000000 0.000000 9.491398\nMg Mo O\n4 6 16\ndirect\n0.666667 0.333333 0.585503 Mg\n0.333333 0.666667 0.085503 Mg\n0.666667 0.333333 0.973935 Mg\n0.333333 0.666667 0.473935 Mg\n0.328408 0.164204 0.257467 Mo\n0.835796 0.671592 0.257467 Mo\n0.835796 0.164204 0.257467 Mo\n0.671592 0.835796 0.757467 Mo\n0.164204 0.328408 0.757467 Mo\n0.164204 0.835796 0.757467 Mo\n0.000000 0.000000 0.143154 O\n0.000000 0.000000 0.643154 O\n0.666667 0.333333 0.376651 O\n0.333333 0.666667 0.876651 O\n0.961983 0.480991 0.130909 O\n0.519009 0.038017 0.130909 O\n0.519009 0.480991 0.130909 O\n0.038017 0.519009 0.630909 O\n0.480991 0.961983 0.630909 O\n0.480991 0.519009 0.630909 O\n0.339722 0.169861 0.853161 O\n0.830139 0.660278 0.853161 O\n0.830139 0.169861 0.853161 O\n0.660278 0.830139 0.353161 O\n0.169861 0.339722 0.353161 O\n0.169861 0.830139 0.353161 O\n",
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},
{
"id": "mp-560359",
"created_at": "2022-09-04T14:43:16.610064Z",
"structure_string": "Sb2 Te14 S2 Xe2 Cl2 O18 F72\n1.0\n10.573695 0.000000 0.000000\n-2.978974 10.441969 0.000000\n-2.464395 -3.387639 17.834545\nSb Te S Xe Cl O F\n2 14 2 2 2 18 72\ndirect\n0.500000 0.000000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.294747 0.985438 0.144100 Te\n0.705253 0.014562 0.855900 Te\n0.364420 0.129850 0.602512 Te\n0.767434 0.960415 0.138099 Te\n0.627072 0.353538 0.058441 Te\n0.662350 0.373172 0.391488 Te\n0.895566 0.261240 0.618045 Te\n0.104434 0.738760 0.381955 Te\n0.232566 0.039585 0.861901 Te\n0.372928 0.646462 0.941559 Te\n0.337650 0.626828 0.608512 Te\n0.635580 0.870150 0.397488 Te\n0.871336 0.710888 0.622970 Te\n0.128664 0.289112 0.377030 Te\n0.143367 0.456640 0.131352 S\n0.856633 0.543360 0.868648 S\n0.536895 0.373824 0.754137 Xe\n0.463105 0.626176 0.245863 Xe\n0.096558 0.320833 0.040810 Cl\n0.903442 0.679167 0.959190 Cl\n0.873591 0.423799 0.883456 O\n0.360886 0.234851 0.699525 O\n0.676256 0.990664 0.050023 O\n0.903353 0.627437 0.532339 O\n0.126409 0.576201 0.116544 O\n0.828566 0.371007 0.443636 O\n0.171434 0.628993 0.556364 O\n0.730770 0.549268 0.827094 O\n0.269230 0.450732 0.172906 O\n0.020028 0.576829 0.407085 O\n0.979972 0.423171 0.592915 O\n0.587388 0.188152 0.997897 O\n0.555086 0.956210 0.902337 O\n0.639114 0.765149 0.300475 O\n0.096647 0.372563 0.467661 O\n0.323744 0.009336 0.949977 O\n0.444914 0.043790 0.097663 O\n0.412612 0.811848 0.002103 O\n0.942447 0.742813 0.328184 F\n0.448326 0.333355 0.068710 F\n0.319310 0.957693 0.796622 F\n0.133182 0.070915 0.777946 F\n0.057553 0.257187 0.671816 F\n0.462808 0.280603 0.573288 F\n0.602898 0.911682 0.765748 F\n0.833115 0.794229 0.710524 F\n0.139082 0.125866 0.921049 F\n0.767066 0.553650 0.644544 F\n0.387360 0.549342 0.523398 F\n0.204481 0.156547 0.563061 F\n0.230808 0.123646 0.122403 F\n0.190718 0.609025 0.947839 F\n0.022641 0.695286 0.683024 F\n0.866818 0.929085 0.222054 F\n0.420142 0.791840 0.589199 F\n0.332281 0.476458 0.886402 F\n0.864608 0.349672 0.707095 F\n0.860918 0.874134 0.078951 F\n0.902283 0.117609 0.145672 F\n0.034695 0.393736 0.176276 F\n0.360674 0.201247 0.865194 F\n0.303203 0.705072 0.698302 F\n0.274966 0.743211 0.429292 F\n0.282674 0.267446 0.430077 F\n0.366638 0.030873 0.511719 F\n0.633362 0.969127 0.488281 F\n0.496424 0.368604 0.336789 F\n0.166885 0.205771 0.289476 F\n0.696797 0.294928 0.301698 F\n0.551674 0.666645 0.931290 F\n0.639326 0.798753 0.134806 F\n0.232934 0.446350 0.355456 F\n0.717326 0.732554 0.569923 F\n0.918890 0.160460 0.531913 F\n0.397102 0.088318 0.234252 F\n0.475993 0.897306 0.355239 F\n0.097717 0.882391 0.854328 F\n0.725034 0.256789 0.570708 F\n0.398543 0.576197 0.028652 F\n0.680690 0.042307 0.203378 F\n0.818112 0.122941 0.942861 F\n0.667719 0.523542 0.113598 F\n0.266380 0.983578 0.634696 F\n0.847632 0.066842 0.805624 F\n0.349562 0.842782 0.168611 F\n0.769192 0.876354 0.877597 F\n0.965305 0.606264 0.823724 F\n0.135392 0.650328 0.292905 F\n0.612640 0.450658 0.476602 F\n0.181888 0.877059 0.057139 F\n0.537192 0.719397 0.426712 F\n0.661960 0.299087 0.149528 F\n0.579858 0.208160 0.410801 F\n0.650438 0.157218 0.831389 F\n0.029924 0.125082 0.390675 F\n0.271949 0.461386 0.633508 F\n0.977359 0.304714 0.316976 F\n0.081110 0.839540 0.468087 F\n0.809282 0.390975 0.052161 F\n0.524007 0.102694 0.644761 F\n0.733620 0.016422 0.365304 F\n0.728051 0.538614 0.366492 F\n0.186792 0.894740 0.352137 F\n0.813208 0.105260 0.647863 F\n0.601457 0.423803 0.971348 F\n0.338040 0.700913 0.850472 F\n0.152368 0.933158 0.194376 F\n0.795519 0.843453 0.436939 F\n0.970076 0.874918 0.609325 F\n0.503576 0.631396 0.663211 F\n",
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