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"results": [
{
"id": "mp-29377",
"created_at": "2022-09-04T14:39:15.239783Z",
"structure_string": "K40 Ga8 Se32\n1.0\n12.782463 0.000000 0.000000\n0.000000 13.047158 0.000000\n0.000000 0.000000 15.909009\nK Ga Se\n40 8 32\ndirect\n0.054028 0.340011 0.278029 K\n0.554028 0.159989 0.721971 K\n0.945972 0.840011 0.221971 K\n0.445972 0.659989 0.778029 K\n0.945972 0.659989 0.721971 K\n0.445972 0.840011 0.278029 K\n0.054028 0.159989 0.778029 K\n0.554028 0.340011 0.221971 K\n0.386518 0.014141 0.058928 K\n0.886518 0.485859 0.941072 K\n0.613482 0.514141 0.441072 K\n0.113482 0.985859 0.558928 K\n0.613482 0.985859 0.941072 K\n0.113482 0.514141 0.058928 K\n0.386518 0.485859 0.558928 K\n0.886518 0.014141 0.441072 K\n0.058909 0.070384 0.109363 K\n0.558909 0.429616 0.890637 K\n0.941091 0.570384 0.390637 K\n0.441091 0.929616 0.609363 K\n0.941091 0.929616 0.890637 K\n0.441091 0.570384 0.109363 K\n0.058909 0.429616 0.609363 K\n0.558909 0.070384 0.390637 K\n0.179555 0.647494 0.268377 K\n0.679555 0.852506 0.731623 K\n0.820445 0.147494 0.231623 K\n0.320445 0.352506 0.768377 K\n0.820445 0.352506 0.731623 K\n0.320445 0.147494 0.268377 K\n0.179555 0.852506 0.768377 K\n0.679555 0.647494 0.231623 K\n0.271878 0.788573 0.984604 K\n0.771878 0.711427 0.015396 K\n0.728122 0.288573 0.515396 K\n0.228122 0.211427 0.484604 K\n0.728122 0.211427 0.015396 K\n0.228122 0.288573 0.984604 K\n0.271878 0.711427 0.484604 K\n0.771878 0.788573 0.515396 K\n0.164639 0.934709 0.335643 Ga\n0.664639 0.565291 0.664357 Ga\n0.835361 0.434709 0.164357 Ga\n0.335361 0.065291 0.835643 Ga\n0.835361 0.065291 0.664357 Ga\n0.335361 0.434709 0.335643 Ga\n0.164639 0.565291 0.835643 Ga\n0.664639 0.934709 0.164357 Ga\n0.069999 0.098423 0.321905 Se\n0.569999 0.401577 0.678095 Se\n0.930001 0.598423 0.178095 Se\n0.430001 0.901577 0.821905 Se\n0.930001 0.901577 0.678095 Se\n0.430001 0.598423 0.321905 Se\n0.069999 0.401577 0.821905 Se\n0.569999 0.098423 0.178095 Se\n0.319204 0.965248 0.427162 Se\n0.819204 0.534752 0.572838 Se\n0.680796 0.465248 0.072838 Se\n0.180796 0.034752 0.927162 Se\n0.680796 0.034752 0.572838 Se\n0.180796 0.465248 0.427162 Se\n0.319204 0.534752 0.927162 Se\n0.819204 0.965248 0.072838 Se\n0.214085 0.884801 0.191219 Se\n0.714085 0.615199 0.808781 Se\n0.785915 0.384801 0.308781 Se\n0.285915 0.115199 0.691219 Se\n0.785915 0.115199 0.808781 Se\n0.285915 0.384801 0.191219 Se\n0.214085 0.615199 0.691219 Se\n0.714085 0.884801 0.308781 Se\n0.054384 0.808404 0.408851 Se\n0.554384 0.691596 0.591149 Se\n0.945616 0.308404 0.091149 Se\n0.445616 0.191596 0.908851 Se\n0.945616 0.191596 0.591149 Se\n0.445616 0.308404 0.408851 Se\n0.054384 0.691596 0.908851 Se\n0.554384 0.808404 0.091149 Se\n",
"nsites": 80,
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"elements": [
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],
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"density": 2.9092588216770627,
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"volume": 2653.2220231062893,
"volume_molar": 19.972595613347558,
"formula_full": "K40 Ga8 Se32",
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"updated_at": "2021-11-28T01:34:35.705000Z",
"spacegroup": 61
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{
"id": "mp-1195437",
"created_at": "2022-09-04T14:39:15.241763Z",
"structure_string": "Ba4 As8 O36\n1.0\n7.858071 -0.183406 3.422984\n3.297694 8.701143 2.732475\n0.538445 -0.244113 12.206625\nBa As O\n4 8 36\ndirect\n0.195534 0.953705 0.737767 Ba\n0.804466 0.046295 0.262233 Ba\n0.650275 0.456568 0.755759 Ba\n0.349725 0.543432 0.244241 Ba\n0.477788 0.761626 0.456595 As\n0.522212 0.238374 0.543405 As\n0.952397 0.748573 0.555730 As\n0.047603 0.251427 0.444270 As\n0.960300 0.291624 0.934147 As\n0.039700 0.708376 0.065853 As\n0.482741 0.829792 0.928821 As\n0.517259 0.170208 0.071179 As\n0.781865 0.565892 0.321151 O\n0.218135 0.434108 0.678849 O\n0.372249 0.684763 0.412799 O\n0.627751 0.315237 0.587201 O\n0.484460 0.708321 0.597144 O\n0.515540 0.291679 0.402856 O\n0.550746 0.903324 0.367997 O\n0.449254 0.096676 0.632003 O\n0.122221 0.754079 0.596438 O\n0.877779 0.245921 0.403562 O\n0.805563 0.684592 0.694425 O\n0.194437 0.315408 0.305575 O\n0.039143 0.612117 0.458124 O\n0.960857 0.387883 0.541876 O\n0.861724 0.914232 0.477755 O\n0.138276 0.085768 0.522245 O\n0.009144 0.248143 0.793349 O\n0.990856 0.751857 0.206651 O\n0.005302 0.146653 0.042102 O\n0.994698 0.853347 0.957898 O\n0.734518 0.417305 0.983222 O\n0.265482 0.582695 0.016778 O\n0.102525 0.401144 0.911131 O\n0.897475 0.598856 0.088869 O\n0.707712 0.832429 0.835661 O\n0.292288 0.167571 0.164339 O\n0.427157 0.721745 0.865766 O\n0.572843 0.278255 0.134234 O\n0.449270 0.772106 0.078565 O\n0.550730 0.227894 0.921435 O\n0.357031 0.016748 0.893839 O\n0.642969 0.983252 0.106161 O\n0.848643 0.149284 0.746886 O\n0.151357 0.850716 0.253114 O\n0.233222 0.455791 0.768413 O\n0.766778 0.544209 0.231587 O\n",
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{
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"created_at": "2022-09-04T14:39:15.255947Z",
"structure_string": "Tb3 Tl3 Pd3\n1.0\n3.946585 -6.835686 0.000000\n3.946585 6.835686 0.000000\n0.000000 0.000000 3.803607\nTb Tl Pd\n3 3 3\ndirect\n0.597919 0.000000 0.500000 Tb\n0.402081 0.402081 0.500000 Tb\n0.000000 0.597919 0.500000 Tb\n0.267097 0.000000 0.000000 Tl\n0.732903 0.732903 0.000000 Tl\n0.000000 0.267097 0.000000 Tl\n0.000000 0.000000 0.500000 Pd\n0.333333 0.666667 0.000000 Pd\n0.666667 0.333333 0.000000 Pd\n",
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"formula_full": "Tb3 Tl3 Pd3",
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{
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"created_at": "2022-09-04T14:39:18.461333Z",
"structure_string": "Sc2 Al1 Ag1\n1.0\n0.000000 3.434728 3.434728\n3.434728 0.000000 3.434728\n3.434728 3.434728 0.000000\nSc Al Ag\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Ag\n",
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{
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"structure_string": "Ce8 In10 S26\n1.0\n0.000000 0.000000 3.974928\n12.063212 0.000000 0.000000\n0.000000 21.782782 0.000000\nCe In S\n8 10 26\ndirect\n0.000000 0.016294 0.333546 Ce\n0.000000 0.983706 0.666454 Ce\n0.000000 0.483706 0.833546 Ce\n0.000000 0.516294 0.166454 Ce\n0.000000 0.166362 0.158670 Ce\n0.000000 0.833638 0.841330 Ce\n0.000000 0.333638 0.658670 Ce\n0.000000 0.666362 0.341330 Ce\n0.500000 0.346126 0.329906 In\n0.500000 0.653874 0.670094 In\n0.500000 0.153874 0.829906 In\n0.500000 0.846126 0.170094 In\n0.500000 0.344650 0.007823 In\n0.500000 0.655350 0.992177 In\n0.500000 0.155350 0.507823 In\n0.500000 0.844650 0.492177 In\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 In\n0.000000 0.328980 0.260557 S\n0.000000 0.671020 0.739443 S\n0.000000 0.171020 0.760557 S\n0.000000 0.828980 0.239443 S\n0.500000 0.078141 0.241622 S\n0.500000 0.921859 0.758378 S\n0.500000 0.421859 0.741622 S\n0.500000 0.578141 0.258378 S\n0.500000 0.003459 0.092861 S\n0.500000 0.996541 0.907139 S\n0.500000 0.496541 0.592861 S\n0.500000 0.503459 0.407139 S\n0.500000 0.162575 0.387370 S\n0.500000 0.837425 0.612630 S\n0.500000 0.337425 0.887370 S\n0.500000 0.662575 0.112630 S\n0.000000 0.000000 0.500000 S\n0.000000 0.500000 0.000000 S\n0.000000 0.202561 0.022014 S\n0.000000 0.797439 0.977986 S\n0.000000 0.297439 0.522014 S\n0.000000 0.702561 0.477986 S\n0.500000 0.344808 0.132969 S\n0.500000 0.655192 0.867031 S\n0.500000 0.155192 0.632969 S\n0.500000 0.844808 0.367031 S\n",
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{
"id": "mp-554249",
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"structure_string": "Bi24 Cl12 O28 F4\n1.0\n3.855964 0.000000 0.000000\n0.000000 15.652185 0.000000\n0.000000 0.000000 20.623879\nBi Cl O F\n24 12 28 4\ndirect\n0.750000 0.560619 0.563077 Bi\n0.750000 0.088090 0.241689 Bi\n0.250000 0.062336 0.556021 Bi\n0.250000 0.588090 0.258311 Bi\n0.750000 0.270487 0.922130 Bi\n0.250000 0.286097 0.270005 Bi\n0.250000 0.439381 0.436923 Bi\n0.250000 0.213903 0.770005 Bi\n0.750000 0.939381 0.063077 Bi\n0.250000 0.729513 0.077870 Bi\n0.750000 0.937664 0.443979 Bi\n0.750000 0.411910 0.741689 Bi\n0.250000 0.060619 0.936923 Bi\n0.750000 0.229513 0.422130 Bi\n0.250000 0.343205 0.597688 Bi\n0.750000 0.713903 0.729995 Bi\n0.750000 0.656795 0.402312 Bi\n0.750000 0.786097 0.229995 Bi\n0.750000 0.562336 0.943979 Bi\n0.750000 0.843205 0.902312 Bi\n0.250000 0.437664 0.056021 Bi\n0.250000 0.770487 0.577870 Bi\n0.250000 0.156795 0.097688 Bi\n0.250000 0.911910 0.758311 Bi\n0.750000 0.947386 0.639551 Cl\n0.250000 0.447386 0.860449 Cl\n0.750000 0.312671 0.143081 Cl\n0.250000 0.562738 0.697260 Cl\n0.250000 0.812671 0.356919 Cl\n0.750000 0.437262 0.302740 Cl\n0.250000 0.937262 0.197260 Cl\n0.750000 0.187329 0.643081 Cl\n0.750000 0.552614 0.139551 Cl\n0.250000 0.687329 0.856919 Cl\n0.750000 0.062738 0.802740 Cl\n0.250000 0.052614 0.360449 Cl\n0.750000 0.534224 0.456974 O\n0.250000 0.034224 0.043026 O\n0.750000 0.352245 0.470890 O\n0.250000 0.904882 0.867935 O\n0.250000 0.155856 0.212639 O\n0.750000 0.714018 0.621789 O\n0.750000 0.095118 0.132065 O\n0.250000 0.783637 0.704071 O\n0.250000 0.938551 0.501382 O\n0.250000 0.716363 0.204071 O\n0.750000 0.844144 0.787361 O\n0.750000 0.283637 0.795929 O\n0.750000 0.147755 0.970890 O\n0.250000 0.595118 0.367935 O\n0.750000 0.404882 0.632065 O\n0.250000 0.561449 0.001382 O\n0.250000 0.852245 0.029110 O\n0.250000 0.647755 0.529110 O\n0.750000 0.655856 0.287361 O\n0.750000 0.785982 0.121789 O\n0.250000 0.214018 0.878211 O\n0.750000 0.061449 0.498618 O\n0.250000 0.465776 0.543026 O\n0.750000 0.438551 0.998618 O\n0.250000 0.344144 0.712639 O\n0.750000 0.965776 0.956974 O\n0.750000 0.216363 0.295929 O\n0.250000 0.285982 0.378211 O\n0.750000 0.697459 0.995779 F\n0.250000 0.302541 0.004221 F\n0.250000 0.197459 0.504221 F\n0.750000 0.802541 0.495779 F\n",
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{
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