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{
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"results": [
{
"id": "mp-1195657",
"created_at": "2022-09-04T14:46:10.814342Z",
"structure_string": "Li4 Sb8 F28\n1.0\n4.906120 0.000000 0.000000\n0.000000 8.900484 0.000000\n0.000000 0.000000 14.674750\nLi Sb F\n4 8 28\ndirect\n0.868307 0.928955 0.250000 Li\n0.631693 0.428955 0.250000 Li\n0.131693 0.071045 0.750000 Li\n0.368307 0.571045 0.750000 Li\n0.312595 0.114025 0.398938 Sb\n0.187405 0.614025 0.101062 Sb\n0.687405 0.885975 0.898938 Sb\n0.812595 0.385975 0.601062 Sb\n0.687405 0.885975 0.601062 Sb\n0.812595 0.385975 0.898938 Sb\n0.312595 0.114025 0.101062 Sb\n0.187405 0.614025 0.398938 Sb\n0.617003 0.003532 0.342904 F\n0.882997 0.503532 0.157096 F\n0.382997 0.996468 0.842904 F\n0.117003 0.496468 0.657096 F\n0.382997 0.996468 0.657096 F\n0.117003 0.496468 0.842904 F\n0.617003 0.003532 0.157096 F\n0.882997 0.503532 0.342904 F\n0.452488 0.304030 0.346922 F\n0.047512 0.804030 0.153078 F\n0.547512 0.695970 0.846922 F\n0.952488 0.195970 0.653078 F\n0.547512 0.695970 0.653078 F\n0.952488 0.195970 0.846922 F\n0.452488 0.304030 0.153078 F\n0.047512 0.804030 0.346922 F\n0.593826 0.150958 0.498840 F\n0.906174 0.650958 0.001160 F\n0.406174 0.849042 0.998840 F\n0.093826 0.349042 0.501160 F\n0.406174 0.849042 0.501160 F\n0.093826 0.349042 0.998840 F\n0.593826 0.150958 0.001160 F\n0.906174 0.650958 0.498840 F\n0.146770 0.090227 0.250000 F\n0.353230 0.590227 0.250000 F\n0.853230 0.909773 0.750000 F\n0.646770 0.409773 0.750000 F\n",
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},
{
"id": "mp-556303",
"created_at": "2022-09-04T14:46:10.833535Z",
"structure_string": "Cu2 Bi4 Se8 O24\n1.0\n7.463053 0.000000 0.000000\n0.000000 8.180209 0.000000\n0.000000 3.813490 10.140452\nCu Bi Se O\n2 4 8 24\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.884841 0.747932 0.398876 Bi\n0.384841 0.752068 0.601124 Bi\n0.115159 0.252068 0.601124 Bi\n0.615159 0.247932 0.398876 Bi\n0.827918 0.855434 0.686666 Se\n0.165828 0.389122 0.869036 Se\n0.672082 0.355434 0.686666 Se\n0.334172 0.889122 0.869036 Se\n0.327918 0.644566 0.313334 Se\n0.172082 0.144566 0.313334 Se\n0.834172 0.610878 0.130964 Se\n0.665828 0.110878 0.130964 Se\n0.725811 0.021594 0.294931 O\n0.855199 0.420382 0.576921 O\n0.144801 0.579618 0.423079 O\n0.516780 0.305685 0.587595 O\n0.225811 0.478406 0.705069 O\n0.774189 0.521594 0.294931 O\n0.644801 0.920382 0.576921 O\n0.890295 0.812660 0.146733 O\n0.114976 0.940387 0.311484 O\n0.274189 0.978406 0.705069 O\n0.137811 0.825489 0.957470 O\n0.362189 0.325489 0.957470 O\n0.885024 0.059613 0.688516 O\n0.109705 0.187340 0.853267 O\n0.390295 0.687340 0.853267 O\n0.355199 0.079618 0.423079 O\n0.609705 0.312660 0.146733 O\n0.483220 0.694315 0.412405 O\n0.016780 0.194315 0.412405 O\n0.983220 0.805685 0.587595 O\n0.614976 0.559613 0.688516 O\n0.637811 0.674511 0.042530 O\n0.862189 0.174511 0.042530 O\n0.385024 0.440387 0.311484 O\n",
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"elements": [
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"O"
],
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"volume": 619.0678341439606,
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"formula_full": "Cu2 Bi4 Se8 O24",
"formula_reduced": "CuBi2(SeO3)4",
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"energy": -222.25978674,
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"spacegroup": 14
},
{
"id": "mp-1195519",
"created_at": "2022-09-04T14:46:10.960383Z",
"structure_string": "Rb4 Mo30 Se38\n1.0\n-4.957836 -8.583201 -0.002771\n4.954352 -8.581189 -0.000000\n0.004379 -5.718263 19.692691\nRb Mo Se\n4 30 38\ndirect\n0.886513 0.886532 0.340408 Rb\n0.386513 0.386547 0.840408 Rb\n0.113487 0.113468 0.659592 Rb\n0.613487 0.613453 0.159592 Rb\n0.685825 0.498155 0.442087 Mo\n0.498216 0.374198 0.442353 Mo\n0.374112 0.685411 0.442213 Mo\n0.185825 0.873934 0.942087 Mo\n0.874112 0.998265 0.942213 Mo\n0.998216 0.185233 0.942353 Mo\n0.314175 0.501845 0.557913 Mo\n0.501784 0.625802 0.557647 Mo\n0.625888 0.314589 0.557787 Mo\n0.814175 0.126066 0.057913 Mo\n0.125888 0.001735 0.057787 Mo\n0.001784 0.814767 0.057647 Mo\n0.778540 0.639483 0.633004 Mo\n0.639596 0.948945 0.632926 Mo\n0.948918 0.778589 0.633059 Mo\n0.278540 0.448973 0.133004 Mo\n0.448918 0.139435 0.133059 Mo\n0.139596 0.278533 0.132926 Mo\n0.221460 0.360517 0.366996 Mo\n0.360404 0.051055 0.367074 Mo\n0.051082 0.221411 0.366941 Mo\n0.721460 0.551027 0.866996 Mo\n0.551082 0.860565 0.866941 Mo\n0.860404 0.721467 0.867074 Mo\n0.906953 0.593111 0.749990 Mo\n0.593047 0.750055 0.750010 Mo\n0.750000 0.907029 0.750000 Mo\n0.406953 0.249945 0.249990 Mo\n0.250000 0.092971 0.250000 Mo\n0.093047 0.406889 0.250010 Mo\n0.805807 0.446452 0.549324 Se\n0.446152 0.198541 0.549459 Se\n0.198210 0.805670 0.549469 Se\n0.305807 0.698417 0.049324 Se\n0.698210 0.946652 0.049469 Se\n0.946152 0.305847 0.049459 Se\n0.194193 0.553548 0.450676 Se\n0.553848 0.801459 0.450541 Se\n0.801790 0.194330 0.450531 Se\n0.694193 0.301583 0.950676 Se\n0.301791 0.053348 0.950531 Se\n0.053848 0.694153 0.950541 Se\n0.921520 0.527917 0.356917 Se\n0.527946 0.193685 0.356954 Se\n0.193640 0.921388 0.356921 Se\n0.421520 0.693646 0.856917 Se\n0.693640 0.028050 0.856921 Se\n0.027946 0.421415 0.856954 Se\n0.078480 0.472083 0.643083 Se\n0.472054 0.806315 0.643046 Se\n0.806360 0.078612 0.643079 Se\n0.578480 0.306354 0.143083 Se\n0.306360 0.971950 0.143079 Se\n0.972054 0.578585 0.143046 Se\n0.750000 0.446617 0.750000 Se\n0.446634 0.053440 0.750003 Se\n0.053366 0.750077 0.749997 Se\n0.250000 0.553383 0.250000 Se\n0.553366 0.946560 0.249997 Se\n0.946634 0.249923 0.250003 Se\n0.553771 0.553826 0.339288 Se\n0.053771 0.053115 0.839288 Se\n0.446229 0.446174 0.660712 Se\n0.946229 0.946885 0.160712 Se\n0.823514 0.823345 0.529614 Se\n0.323514 0.323527 0.029614 Se\n0.176486 0.176655 0.470386 Se\n0.676486 0.676473 0.970386 Se\n",
"nsites": 72,
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"elements": [
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"Mo",
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],
"chemical_system": "Mo-Rb-Se",
"density": 6.1657325887664935,
"density_atomic": 0.04297730862925768,
"volume": 1675.3026724196623,
"volume_molar": 14.012372929049134,
"formula_full": "Rb4 Mo30 Se38",
"formula_reduced": "Rb2Mo15Se19",
"formula_anonymous": "A2B15C19",
"energy": -523.60029757,
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"updated_at": "2021-11-28T01:37:25.318000Z",
"spacegroup": 167
},
{
"id": "mp-1197508",
"created_at": "2022-09-04T14:46:10.231718Z",
"structure_string": "Ho22 Cd90\n1.0\n0.000000 10.853264 10.853264\n10.853264 0.000000 10.853264\n10.853264 10.853264 0.000000\nHo Cd\n22 90\ndirect\n0.000000 0.000000 0.000000 Ho\n0.013787 0.333896 0.638530 Ho\n0.013787 0.013787 0.638530 Ho\n0.333896 0.013787 0.638530 Ho\n0.013787 0.638530 0.333896 Ho\n0.333896 0.638530 0.013787 Ho\n0.013787 0.638530 0.013787 Ho\n0.638530 0.013787 0.013787 Ho\n0.638530 0.333896 0.013787 Ho\n0.638530 0.013787 0.333896 Ho\n0.333896 0.013787 0.013787 Ho\n0.013787 0.013787 0.333896 Ho\n0.013787 0.333896 0.013787 Ho\n0.250000 0.250000 0.250000 Ho\n0.406257 0.406257 0.781230 Ho\n0.406257 0.781230 0.406257 Ho\n0.781230 0.406257 0.406257 Ho\n0.406257 0.406257 0.406257 Ho\n0.661955 0.661955 0.014134 Ho\n0.661955 0.014134 0.661955 Ho\n0.014134 0.661955 0.661955 Ho\n0.661955 0.661955 0.661955 Ho\n0.083242 0.083242 0.750275 Cd\n0.083242 0.750275 0.083242 Cd\n0.750275 0.083242 0.083242 Cd\n0.083242 0.083242 0.083242 Cd\n0.913256 0.913256 0.260233 Cd\n0.913256 0.260233 0.913256 Cd\n0.260233 0.913256 0.913256 Cd\n0.913256 0.913256 0.913256 Cd\n0.156336 0.156336 0.843664 Cd\n0.843664 0.156336 0.843664 Cd\n0.156336 0.843664 0.843664 Cd\n0.843664 0.843664 0.156336 Cd\n0.156336 0.843664 0.156336 Cd\n0.843664 0.156336 0.156336 Cd\n0.390576 0.201128 0.017719 Cd\n0.390576 0.390576 0.017719 Cd\n0.201128 0.390576 0.017719 Cd\n0.390576 0.017719 0.201128 Cd\n0.201128 0.017719 0.390576 Cd\n0.390576 0.017719 0.390576 Cd\n0.017719 0.390576 0.390576 Cd\n0.017719 0.201128 0.390576 Cd\n0.017719 0.390576 0.201128 Cd\n0.201128 0.390576 0.390576 Cd\n0.390576 0.390576 0.201128 Cd\n0.390576 0.201128 0.390576 Cd\n0.163516 0.163516 0.509453 Cd\n0.163516 0.509453 0.163516 Cd\n0.509453 0.163516 0.163516 Cd\n0.163516 0.163516 0.163516 Cd\n0.263196 0.611899 0.861709 Cd\n0.263196 0.263196 0.861709 Cd\n0.611899 0.263196 0.861709 Cd\n0.263196 0.861709 0.611899 Cd\n0.611899 0.861709 0.263196 Cd\n0.263196 0.861709 0.263196 Cd\n0.861709 0.263196 0.263196 Cd\n0.861709 0.611899 0.263196 Cd\n0.861709 0.263196 0.611899 Cd\n0.611899 0.263196 0.263196 Cd\n0.263196 0.263196 0.611899 Cd\n0.263196 0.611899 0.263196 Cd\n0.500000 0.500000 0.500000 Cd\n0.640423 0.450414 0.268740 Cd\n0.640423 0.640423 0.268740 Cd\n0.450414 0.640423 0.268740 Cd\n0.640423 0.268740 0.450414 Cd\n0.450414 0.268740 0.640423 Cd\n0.640423 0.268740 0.640423 Cd\n0.268740 0.640423 0.640423 Cd\n0.268740 0.450414 0.640423 Cd\n0.268740 0.640423 0.450414 Cd\n0.450414 0.640423 0.640423 Cd\n0.640423 0.640423 0.450414 Cd\n0.640423 0.450414 0.640423 Cd\n0.512359 0.833803 0.141479 Cd\n0.512359 0.512359 0.141479 Cd\n0.833803 0.512359 0.141479 Cd\n0.512359 0.141479 0.833803 Cd\n0.833803 0.141479 0.512359 Cd\n0.512359 0.141479 0.512359 Cd\n0.141479 0.512359 0.512359 Cd\n0.141479 0.833803 0.512359 Cd\n0.141479 0.512359 0.833803 Cd\n0.833803 0.512359 0.512359 Cd\n0.512359 0.512359 0.833803 Cd\n0.512359 0.833803 0.512359 Cd\n0.750000 0.750000 0.750000 Cd\n0.830020 0.830020 0.509939 Cd\n0.830020 0.509939 0.830020 Cd\n0.509939 0.830020 0.830020 Cd\n0.830020 0.830020 0.830020 Cd\n0.910996 0.910996 0.589004 Cd\n0.589004 0.910996 0.589004 Cd\n0.910996 0.589004 0.589004 Cd\n0.589004 0.589004 0.910996 Cd\n0.910996 0.589004 0.910996 Cd\n0.589004 0.910996 0.910996 Cd\n0.763931 0.067506 0.404631 Cd\n0.763931 0.763931 0.404631 Cd\n0.067506 0.763931 0.404631 Cd\n0.763931 0.404631 0.067506 Cd\n0.067506 0.404631 0.763931 Cd\n0.763931 0.404631 0.763931 Cd\n0.404631 0.763931 0.763931 Cd\n0.404631 0.067506 0.763931 Cd\n0.404631 0.763931 0.067506 Cd\n0.067506 0.763931 0.763931 Cd\n0.763931 0.763931 0.067506 Cd\n0.763931 0.067506 0.763931 Cd\n",
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"volume": 2556.8844210651564,
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"formula_full": "Ho22 Cd90",
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"energy": -208.48554405,
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"spacegroup": 216
},
{
"id": "mp-1194437",
"created_at": "2022-09-04T14:46:15.285348Z",
"structure_string": "Eu4 Sb8 S16\n1.0\n4.002113 0.000000 0.000000\n0.000000 11.476561 0.000000\n0.000000 0.000000 14.330882\nEu Sb S\n4 8 16\ndirect\n0.250000 0.263155 0.348166 Eu\n0.250000 0.763155 0.151834 Eu\n0.750000 0.736845 0.651834 Eu\n0.750000 0.236845 0.848166 Eu\n0.250000 0.068225 0.609180 Sb\n0.250000 0.568225 0.890820 Sb\n0.750000 0.931775 0.390820 Sb\n0.750000 0.431775 0.109180 Sb\n0.250000 0.109103 0.094355 Sb\n0.250000 0.609103 0.405645 Sb\n0.750000 0.890897 0.905645 Sb\n0.750000 0.390897 0.594355 Sb\n0.250000 0.324625 0.989036 S\n0.250000 0.824625 0.510964 S\n0.750000 0.675375 0.010964 S\n0.750000 0.175375 0.489036 S\n0.250000 0.261035 0.697886 S\n0.250000 0.761035 0.802114 S\n0.750000 0.738965 0.302114 S\n0.750000 0.238965 0.197886 S\n0.250000 0.056425 0.912921 S\n0.250000 0.556425 0.587079 S\n0.750000 0.943575 0.087079 S\n0.750000 0.443575 0.412921 S\n0.250000 0.008043 0.286353 S\n0.250000 0.508043 0.213647 S\n0.750000 0.991957 0.713647 S\n0.750000 0.491957 0.786353 S\n",
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"spacegroup": 62
},
{
"id": "mp-615833",
"created_at": "2022-09-04T14:46:10.985991Z",
"structure_string": "Cs8 Sb4 Cl24\n1.0\n-5.371693 5.371693 10.812789\n5.371693 -5.371693 10.812789\n5.371693 5.371693 -10.812789\nCs Sb Cl\n8 4 24\ndirect\n0.650369 0.625000 0.525369 Cs\n0.875000 0.349631 0.974631 Cs\n0.099631 0.125000 0.474631 Cs\n0.375000 0.900369 0.025369 Cs\n0.099631 0.625000 0.974631 Cs\n0.875000 0.900369 0.525369 Cs\n0.375000 0.349631 0.474631 Cs\n0.650369 0.125000 0.025369 Cs\n0.250000 0.750000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.750000 0.250000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.122799 0.122799 0.000000 Cl\n0.476584 0.749078 0.727506 Cl\n0.872799 0.372799 0.500000 Cl\n0.002113 0.255001 0.747113 Cl\n0.877201 0.877201 0.000000 Cl\n0.250922 0.978428 0.727506 Cl\n0.273416 0.500922 0.772494 Cl\n0.499078 0.271572 0.772494 Cl\n0.499078 0.726584 0.227506 Cl\n0.507888 0.255001 0.252887 Cl\n0.005001 0.757888 0.752887 Cl\n0.250922 0.523416 0.272494 Cl\n0.137139 0.637139 0.500000 Cl\n0.728428 0.500922 0.227506 Cl\n0.242112 0.994999 0.247113 Cl\n0.744999 0.997887 0.252887 Cl\n0.747887 0.994999 0.752887 Cl\n0.627201 0.127201 0.500000 Cl\n0.387139 0.387139 0.000000 Cl\n0.612861 0.612861 0.000000 Cl\n0.744999 0.492112 0.747113 Cl\n0.021572 0.749078 0.272494 Cl\n0.005001 0.252113 0.247113 Cl\n0.362861 0.862861 0.500000 Cl\n",
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