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{
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"results": [
{
"id": "mp-1199016",
"created_at": "2022-09-04T14:43:12.283336Z",
"structure_string": "Ga40 Pt8\n1.0\n15.836818 0.000000 0.000000\n0.000000 6.490884 0.000000\n0.000000 3.102647 8.503623\nGa Pt\n40 8\ndirect\n0.335453 0.310770 0.921181 Ga\n0.835453 0.689230 0.078819 Ga\n0.664547 0.689230 0.078819 Ga\n0.164547 0.310770 0.921181 Ga\n0.337225 0.298887 0.427811 Ga\n0.837225 0.701113 0.572189 Ga\n0.662775 0.701113 0.572189 Ga\n0.162775 0.298887 0.427811 Ga\n0.333209 0.075387 0.224638 Ga\n0.833209 0.924613 0.775362 Ga\n0.666791 0.924613 0.775362 Ga\n0.166791 0.075387 0.224638 Ga\n0.333851 0.077462 0.735693 Ga\n0.833851 0.922538 0.264307 Ga\n0.666149 0.922538 0.264307 Ga\n0.166149 0.077462 0.735693 Ga\n0.556744 0.550023 0.361545 Ga\n0.056744 0.449977 0.638455 Ga\n0.443256 0.449977 0.638455 Ga\n0.943256 0.550023 0.361545 Ga\n0.439513 0.443244 0.136681 Ga\n0.939513 0.556756 0.863319 Ga\n0.560487 0.556756 0.863319 Ga\n0.060487 0.443244 0.136681 Ga\n0.330134 0.782496 0.552482 Ga\n0.830134 0.217504 0.447518 Ga\n0.669866 0.217504 0.447518 Ga\n0.169866 0.782496 0.552482 Ga\n0.499635 0.998602 0.357730 Ga\n0.999635 0.001398 0.642270 Ga\n0.500365 0.001398 0.642270 Ga\n0.000365 0.998602 0.357730 Ga\n0.430619 0.898974 0.026260 Ga\n0.930619 0.101026 0.973740 Ga\n0.569381 0.101026 0.973740 Ga\n0.069381 0.898974 0.026260 Ga\n0.250000 0.679410 0.939888 Ga\n0.750000 0.320590 0.060112 Ga\n0.250000 0.675461 0.221997 Ga\n0.750000 0.324539 0.778003 Ga\n0.404346 0.687657 0.325444 Pt\n0.904346 0.312343 0.674556 Pt\n0.595654 0.312343 0.674556 Pt\n0.095654 0.687657 0.325444 Pt\n0.404990 0.692256 0.828568 Pt\n0.904990 0.307744 0.171432 Pt\n0.595010 0.307744 0.171432 Pt\n0.095010 0.692256 0.828568 Pt\n",
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"elements": [
"Ga",
"Pt"
],
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"density": 8.26269738217148,
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"volume": 874.1294889191106,
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"formula_full": "Ga40 Pt8",
"formula_reduced": "Ga5Pt",
"formula_anonymous": "AB5",
"energy": -184.3668409,
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"updated_at": "2021-11-28T01:36:06.792000Z",
"spacegroup": 11
},
{
"id": "mp-504807",
"created_at": "2022-09-04T14:47:29.816972Z",
"structure_string": "Mg2 P4 H40 C8 N16 O24\n1.0\n21.796584 0.000000 0.000000\n0.000000 5.422712 0.000000\n0.000000 5.260521 7.395445\nMg P H C N O\n2 4 40 8 16 24\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.915940 0.595021 0.895843 P\n0.415940 0.404979 0.604157 P\n0.084060 0.404979 0.104157 P\n0.584060 0.595021 0.395843 P\n0.827103 0.639569 0.764423 H\n0.327103 0.360431 0.735577 H\n0.172897 0.360431 0.235577 H\n0.672897 0.639569 0.264423 H\n0.905583 0.529016 0.154979 H\n0.405583 0.470984 0.345021 H\n0.094417 0.470984 0.845021 H\n0.594417 0.529016 0.654979 H\n0.988718 0.952122 0.345962 H\n0.488718 0.047878 0.154038 H\n0.011282 0.047878 0.654038 H\n0.511282 0.952122 0.845962 H\n0.955950 0.709067 0.567108 H\n0.455950 0.290933 0.932892 H\n0.044050 0.290933 0.432892 H\n0.544050 0.709067 0.067108 H\n0.886409 0.353924 0.623144 H\n0.386409 0.646076 0.876856 H\n0.113591 0.646076 0.376856 H\n0.613591 0.353924 0.123144 H\n0.868456 0.293422 0.462653 H\n0.368456 0.706578 0.037347 H\n0.131544 0.706578 0.537347 H\n0.631544 0.293422 0.962653 H\n0.843930 0.070641 0.000831 H\n0.343930 0.929359 0.499169 H\n0.156070 0.929359 0.999169 H\n0.656070 0.070641 0.500831 H\n0.787535 0.785258 0.102207 H\n0.287535 0.214742 0.397793 H\n0.212465 0.214742 0.897793 H\n0.712465 0.785258 0.602207 H\n0.702208 0.830030 0.951378 H\n0.202208 0.169970 0.548622 H\n0.297792 0.169970 0.048622 H\n0.797792 0.830030 0.451378 H\n0.681310 0.176220 0.752170 H\n0.181310 0.823780 0.747830 H\n0.318690 0.823780 0.247830 H\n0.818690 0.176220 0.252170 H\n0.925724 0.653778 0.375782 C\n0.425724 0.346222 0.124218 C\n0.074276 0.346222 0.624218 C\n0.574276 0.653778 0.875782 C\n0.762006 0.183068 0.865976 C\n0.262006 0.816932 0.634024 C\n0.237994 0.816932 0.134024 C\n0.737994 0.183068 0.365976 C\n0.956280 0.798311 0.432785 N\n0.456280 0.201689 0.067215 N\n0.043720 0.201689 0.567215 N\n0.543720 0.798311 0.932785 N\n0.884503 0.439434 0.489469 N\n0.384503 0.560566 0.010531 N\n0.115497 0.560566 0.510531 N\n0.615497 0.439434 0.989469 N\n0.799546 0.006320 0.008679 N\n0.299546 0.993680 0.491321 N\n0.200454 0.993680 0.991321 N\n0.700454 0.006320 0.508679 N\n0.708403 0.057687 0.864476 N\n0.208403 0.942313 0.635524 N\n0.291597 0.942313 0.135524 N\n0.791597 0.057687 0.364476 N\n0.962822 0.829436 0.862607 O\n0.462822 0.170564 0.637393 O\n0.037178 0.170564 0.137393 O\n0.537178 0.829436 0.362607 O\n0.936102 0.358298 0.865575 O\n0.436102 0.641702 0.634425 O\n0.063898 0.641702 0.134425 O\n0.563898 0.358298 0.365575 O\n0.859308 0.774818 0.765551 O\n0.359308 0.225182 0.734449 O\n0.140692 0.225182 0.234449 O\n0.640692 0.774818 0.265551 O\n0.890427 0.423162 0.098431 O\n0.390427 0.576838 0.401569 O\n0.109573 0.576838 0.901569 O\n0.609573 0.423162 0.598431 O\n0.933330 0.725578 0.215070 O\n0.433330 0.274422 0.284930 O\n0.066670 0.274422 0.784930 O\n0.566670 0.725578 0.715070 O\n0.774594 0.457751 0.741570 O\n0.274594 0.542249 0.758430 O\n0.225406 0.542249 0.258430 O\n0.725406 0.457751 0.241570 O\n",
"nsites": 94,
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"elements": [
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"P",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-Mg-N-O-P",
"density": 1.74200598469013,
"density_atomic": 0.10753716099679085,
"volume": 874.1164368548391,
"volume_molar": 5.600055556776056,
"formula_full": "Mg2 P4 H40 C8 N16 O24",
"formula_reduced": "MgP2H20C4(N2O3)4",
"formula_anonymous": "AB2C4D8E12F20",
"energy": -599.41277332,
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"updated_at": "2021-11-28T01:38:09.857000Z",
"spacegroup": 14
},
{
"id": "mp-1211652",
"created_at": "2022-09-04T14:43:58.131192Z",
"structure_string": "K4 Rb4 S8 O32\n1.0\n-7.091244 0.000000 1.712913\n-0.045748 0.000000 -8.424886\n0.000000 -14.611261 0.000000\nK Rb S O\n4 4 8 32\ndirect\n0.590183 0.775505 0.956003 K\n0.409817 0.224495 0.043997 K\n0.409817 0.724495 0.456003 K\n0.590183 0.275505 0.543997 K\n0.965662 0.652331 0.712405 Rb\n0.034338 0.347669 0.287595 Rb\n0.034338 0.847669 0.212405 Rb\n0.965662 0.152331 0.787595 Rb\n0.918033 0.733293 0.461852 S\n0.081967 0.266707 0.538148 S\n0.081967 0.766707 0.961852 S\n0.918033 0.233293 0.038148 S\n0.502974 0.853332 0.693105 S\n0.497026 0.146668 0.306895 S\n0.497026 0.646668 0.193105 S\n0.502974 0.353332 0.806895 S\n0.562568 0.961370 0.614376 O\n0.437432 0.038630 0.385624 O\n0.437432 0.538630 0.114376 O\n0.562568 0.461370 0.885624 O\n0.340658 0.895955 0.743286 O\n0.659342 0.104045 0.256714 O\n0.659342 0.604045 0.243286 O\n0.340658 0.395955 0.756714 O\n0.414159 0.683752 0.659573 O\n0.585841 0.316248 0.340427 O\n0.585841 0.816248 0.159573 O\n0.414159 0.183752 0.840427 O\n0.989802 0.854386 0.893688 O\n0.010198 0.145614 0.106312 O\n0.010198 0.645614 0.393688 O\n0.989802 0.354386 0.606312 O\n0.757465 0.622139 0.508425 O\n0.242535 0.377861 0.491575 O\n0.242535 0.877861 0.008425 O\n0.757465 0.122139 0.991575 O\n0.939806 0.188333 0.469988 O\n0.060194 0.811667 0.530012 O\n0.060194 0.311667 0.969988 O\n0.939806 0.688333 0.030012 O\n0.843996 0.859478 0.410869 O\n0.156004 0.140522 0.589131 O\n0.156004 0.640522 0.910869 O\n0.843996 0.359478 0.089131 O\n0.659577 0.851957 0.756231 O\n0.340423 0.148043 0.243769 O\n0.340423 0.648043 0.256231 O\n0.659577 0.351957 0.743769 O\n",
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"S",
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],
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"density": 2.406588227321878,
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"formula_full": "K4 Rb4 S8 O32",
"formula_reduced": "KRb(SO4)2",
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"energy": -289.30764426,
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{
"id": "mp-1181000",
"created_at": "2022-09-04T14:41:45.933894Z",
"structure_string": "Ni2 P8 N4 O38\n1.0\n6.753913 0.000000 0.000000\n-1.518637 9.801453 0.000000\n-2.831489 -3.097911 13.203637\nNi P N O\n2 8 4 38\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.817627 0.282304 0.039198 P\n0.182373 0.717696 0.960802 P\n0.682477 0.072621 0.147469 P\n0.317523 0.927379 0.852531 P\n0.969653 0.521519 0.226599 P\n0.030347 0.478481 0.773401 P\n0.958688 0.278007 0.324174 P\n0.041312 0.721993 0.675826 P\n0.352509 0.421929 0.251314 N\n0.647491 0.578071 0.748686 N\n0.521133 0.614570 0.029559 N\n0.478867 0.385430 0.970441 N\n0.925508 0.198643 0.976051 O\n0.074492 0.801357 0.023949 O\n0.362062 0.651232 0.047831 O\n0.637938 0.348768 0.952169 O\n0.664898 0.213285 0.093806 O\n0.335102 0.786715 0.906194 O\n0.845858 0.005403 0.112061 O\n0.154142 0.994597 0.887939 O\n0.467229 0.989336 0.125299 O\n0.532771 0.010664 0.874701 O\n0.755477 0.153881 0.263699 O\n0.244523 0.846119 0.736301 O\n0.141309 0.254057 0.279318 O\n0.858691 0.745943 0.720682 O\n0.968693 0.300475 0.433493 O\n0.031307 0.699525 0.566507 O\n0.875354 0.410322 0.282278 O\n0.124646 0.589678 0.717722 O\n0.848491 0.630916 0.217416 O\n0.151509 0.369084 0.782584 O\n0.205886 0.562513 0.267710 O\n0.794114 0.437487 0.732290 O\n0.950027 0.421488 0.108750 O\n0.049973 0.578512 0.891250 O\n0.487088 0.446318 0.322276 O\n0.512912 0.553682 0.677724 O\n0.425845 0.676870 0.489183 O\n0.574155 0.323130 0.510817 O\n0.618564 0.681852 0.485751 O\n0.381436 0.318148 0.514249 O\n0.243259 0.123897 0.098441 O\n0.756741 0.876103 0.901559 O\n0.299972 0.922713 0.315251 O\n0.700028 0.077287 0.684749 O\n0.485466 0.952246 0.369918 O\n0.514534 0.047754 0.630082 O\n0.610694 0.872784 0.346607 O\n0.389306 0.127216 0.653393 O\n",
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"formula_full": "Ni2 P8 N4 O38",
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},
{
"id": "mp-1195293",
"created_at": "2022-09-04T14:45:17.176450Z",
"structure_string": "Na4 Sb10 C4 S4 N4 O6 F18\n1.0\n7.150351 0.000000 0.000000\n1.187837 9.478702 0.000000\n2.982200 3.400534 12.895882\nNa Sb C S N O F\n4 10 4 4 4 6 18\ndirect\n0.878339 0.704291 0.459648 Na\n0.121661 0.295709 0.540352 Na\n0.335447 0.857106 0.585678 Na\n0.664553 0.142894 0.414322 Na\n0.561434 0.356869 0.614428 Sb\n0.438566 0.643131 0.385572 Sb\n0.236042 0.080094 0.798247 Sb\n0.763958 0.919906 0.201753 Sb\n0.704127 0.957281 0.724856 Sb\n0.295873 0.042719 0.275144 Sb\n0.451936 0.658387 0.857960 Sb\n0.548064 0.341613 0.142040 Sb\n0.959309 0.572520 0.736353 Sb\n0.040691 0.427480 0.263647 Sb\n0.743378 0.265424 0.871918 C\n0.256622 0.734576 0.128082 C\n0.958007 0.711114 0.955752 C\n0.041993 0.288886 0.044248 C\n0.753593 0.091933 0.922589 S\n0.246407 0.908067 0.077411 S\n0.752187 0.702089 0.034695 S\n0.247813 0.297911 0.965305 S\n0.731994 0.394705 0.835273 N\n0.268006 0.605295 0.164727 N\n0.104895 0.720383 0.893674 N\n0.895105 0.279617 0.106326 N\n0.501115 0.141772 0.726143 O\n0.498885 0.858228 0.273857 O\n0.445818 0.879042 0.807942 O\n0.554182 0.120958 0.192058 O\n0.727741 0.704591 0.770977 O\n0.272259 0.295409 0.229023 O\n0.462697 0.259137 0.525310 F\n0.537303 0.740863 0.474690 F\n0.810595 0.230673 0.597491 F\n0.189405 0.769327 0.402509 F\n0.696136 0.474011 0.466492 F\n0.303864 0.525989 0.533508 F\n0.181456 0.027460 0.674630 F\n0.818544 0.972540 0.325370 F\n0.161132 0.287700 0.712616 F\n0.838868 0.712300 0.287384 F\n0.640109 0.949407 0.589799 F\n0.359891 0.050593 0.410201 F\n0.387892 0.642844 0.727499 F\n0.612108 0.357156 0.272501 F\n0.869820 0.529046 0.619162 F\n0.130180 0.470954 0.380838 F\n0.040727 0.760188 0.625867 F\n0.959273 0.239812 0.374133 F\n",
"nsites": 50,
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"chemical_system": "C-F-N-Na-O-S-Sb",
"density": 3.7614517339221414,
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"volume": 874.0318958260219,
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"formula_full": "Na4 Sb10 C4 S4 N4 O6 F18",
"formula_reduced": "Na2Sb5C2S2N2(OF3)3",
"formula_anonymous": "A2B2C2D2E3F5G9",
"energy": -290.79661641,
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},
{
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