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{
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{
"id": "mp-972120",
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"structure_string": "Sr4 Ga8 As8\n1.0\n4.098191 0.000000 0.000000\n0.000000 9.684602 0.000000\n0.000000 1.236170 12.589427\nSr Ga As\n4 8 8\ndirect\n0.000000 0.500000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.500000 0.801730 0.777868 Sr\n0.500000 0.198270 0.222132 Sr\n0.500000 0.196551 0.675162 Ga\n0.000000 0.600607 0.554166 Ga\n0.500000 0.803449 0.324838 Ga\n0.500000 0.395509 0.780533 Ga\n0.500000 0.604491 0.219467 Ga\n0.000000 0.108473 0.936576 Ga\n0.000000 0.891527 0.063424 Ga\n0.000000 0.399393 0.445834 Ga\n0.000000 0.051717 0.741819 As\n0.000000 0.553482 0.755084 As\n0.000000 0.948283 0.258181 As\n0.000000 0.446518 0.244916 As\n0.500000 0.242329 0.474044 As\n0.500000 0.260844 0.966724 As\n0.500000 0.739156 0.033276 As\n0.500000 0.757671 0.525956 As\n",
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{
"id": "mp-540621",
"created_at": "2022-09-04T14:40:30.005834Z",
"structure_string": "Sr4 Ga8 Ge8 O32\n1.0\n9.792405 0.000000 0.000000\n0.000000 8.698325 0.000000\n0.000000 0.077112 9.325166\nSr Ga Ge O\n4 8 8 32\ndirect\n0.412853 0.749510 0.885412 Sr\n0.912853 0.250490 0.614588 Sr\n0.587147 0.250490 0.114588 Sr\n0.087147 0.749510 0.385412 Sr\n0.924162 0.067350 0.235065 Ga\n0.424162 0.932650 0.264935 Ga\n0.075838 0.932650 0.764935 Ga\n0.575838 0.067350 0.735065 Ga\n0.193928 0.431109 0.053564 Ga\n0.693928 0.568891 0.446436 Ga\n0.806072 0.568891 0.946436 Ga\n0.306072 0.431109 0.553564 Ga\n0.920264 0.438128 0.241966 Ge\n0.420264 0.561872 0.258034 Ge\n0.079736 0.561872 0.758034 Ge\n0.579736 0.438128 0.741966 Ge\n0.199357 0.060007 0.056931 Ge\n0.699357 0.939993 0.443069 Ge\n0.800643 0.939993 0.943069 Ge\n0.300643 0.060007 0.556931 Ge\n0.091971 0.980662 0.193593 O\n0.591971 0.019338 0.306407 O\n0.908029 0.019338 0.806407 O\n0.408029 0.980662 0.693593 O\n0.079004 0.517336 0.191049 O\n0.579004 0.482664 0.308951 O\n0.920996 0.482664 0.808951 O\n0.420996 0.517336 0.691049 O\n0.371805 0.066265 0.116296 O\n0.871805 0.933735 0.383704 O\n0.628195 0.933735 0.883704 O\n0.128195 0.066265 0.616296 O\n0.373889 0.433678 0.118445 O\n0.873889 0.566322 0.381555 O\n0.626111 0.566322 0.881555 O\n0.126111 0.433678 0.618445 O\n0.199048 0.925433 0.914737 O\n0.699048 0.074567 0.585263 O\n0.800952 0.074567 0.085263 O\n0.300952 0.925433 0.414737 O\n0.198149 0.570134 0.900246 O\n0.698149 0.429866 0.599754 O\n0.801851 0.429866 0.099754 O\n0.301851 0.570134 0.400246 O\n0.135959 0.239128 0.001413 O\n0.635959 0.760872 0.498587 O\n0.864041 0.760872 0.998587 O\n0.364041 0.239128 0.501413 O\n0.925010 0.255465 0.329407 O\n0.425010 0.744535 0.170593 O\n0.074990 0.744535 0.670593 O\n0.574990 0.255465 0.829407 O\n",
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"elements": [
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"Ge",
"O"
],
"chemical_system": "Ga-Ge-O-Sr",
"density": 4.184020326091411,
"density_atomic": 0.06546689971097792,
"volume": 794.294524860176,
"volume_molar": 9.198756603087114,
"formula_full": "Sr4 Ga8 Ge8 O32",
"formula_reduced": "SrGa2(GeO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -353.90411437999995,
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"updated_at": "2021-11-28T01:34:46.369000Z",
"spacegroup": 14
},
{
"id": "mp-6198",
"created_at": "2022-09-04T14:47:13.894561Z",
"structure_string": "Sr4 Ga8 Si8 O32\n1.0\n6.665120 6.702846 0.000000\n-6.665120 6.702846 0.000000\n0.000000 1.472850 8.468240\nSr Ga Si O\n4 8 8 32\ndirect\n0.428354 0.938472 0.301778 Sr\n0.061528 0.571646 0.198222 Sr\n0.571646 0.061528 0.698222 Sr\n0.938472 0.428354 0.801778 Sr\n0.059171 0.201022 0.119129 Ga\n0.798978 0.940829 0.380871 Ga\n0.940829 0.798978 0.880871 Ga\n0.201022 0.059171 0.619129 Ga\n0.292961 0.547293 0.525654 Ga\n0.452707 0.707039 0.974346 Ga\n0.707039 0.452707 0.474346 Ga\n0.547293 0.292961 0.025654 Ga\n0.939320 0.218492 0.491037 Si\n0.781508 0.060680 0.008963 Si\n0.060680 0.781508 0.508963 Si\n0.218492 0.939320 0.991037 Si\n0.277265 0.434771 0.903041 Si\n0.565229 0.722735 0.596959 Si\n0.722735 0.565229 0.096959 Si\n0.434771 0.277265 0.403041 Si\n0.909889 0.178651 0.001871 O\n0.821349 0.090111 0.498129 O\n0.090111 0.821349 0.998129 O\n0.178651 0.909889 0.501871 O\n0.430934 0.687165 0.502975 O\n0.312835 0.569066 0.997025 O\n0.569066 0.312835 0.497025 O\n0.687165 0.430934 0.002975 O\n0.183469 0.053973 0.119123 O\n0.946027 0.816531 0.380877 O\n0.816531 0.946027 0.880877 O\n0.053973 0.183469 0.619123 O\n0.676433 0.591469 0.606184 O\n0.408531 0.323567 0.893816 O\n0.323567 0.408531 0.393816 O\n0.591469 0.676433 0.106184 O\n0.013812 0.267730 0.310732 O\n0.732270 0.986188 0.189268 O\n0.986188 0.732270 0.689268 O\n0.267730 0.013812 0.810732 O\n0.874967 0.624912 0.992985 O\n0.375088 0.125033 0.507015 O\n0.125033 0.375088 0.007015 O\n0.624912 0.874967 0.492985 O\n0.858292 0.357996 0.559178 O\n0.642004 0.141708 0.940822 O\n0.141708 0.642004 0.440822 O\n0.357996 0.858292 0.059178 O\n0.776948 0.520472 0.270134 O\n0.479528 0.223052 0.229866 O\n0.223052 0.479528 0.729866 O\n0.520472 0.776948 0.770134 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
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"Si",
"O"
],
"chemical_system": "Ga-O-Si-Sr",
"density": 3.609988628851849,
"density_atomic": 0.0687247194509464,
"volume": 756.6418664992298,
"volume_molar": 8.762699663399019,
"formula_full": "Sr4 Ga8 Si8 O32",
"formula_reduced": "SrGa2(SiO4)2",
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"energy": -387.26605441,
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"updated_at": "2021-11-28T01:37:57.412000Z",
"spacegroup": 15
},
{
"id": "mp-14235",
"created_at": "2022-09-04T14:42:26.003562Z",
"structure_string": "Sr4 Ga8 Si8 O32\n1.0\n9.617659 0.000000 0.000000\n0.000000 8.504310 0.000000\n0.000000 0.109001 9.134958\nSr Ga Si O\n4 8 8 32\ndirect\n0.085435 0.748536 0.389006 Sr\n0.585435 0.251464 0.110994 Sr\n0.914565 0.251464 0.610994 Sr\n0.414565 0.748536 0.889006 Sr\n0.309500 0.426931 0.554421 Ga\n0.809500 0.573069 0.945579 Ga\n0.690500 0.573069 0.445579 Ga\n0.190500 0.426931 0.054421 Ga\n0.075959 0.930077 0.774070 Ga\n0.575959 0.069923 0.725930 Ga\n0.924041 0.069923 0.225930 Ga\n0.424041 0.930077 0.274070 Ga\n0.582624 0.440261 0.741901 Si\n0.082624 0.559739 0.758099 Si\n0.417376 0.559739 0.258099 Si\n0.917376 0.440261 0.241901 Si\n0.798640 0.945787 0.937033 Si\n0.298640 0.054213 0.562967 Si\n0.201360 0.054213 0.062967 Si\n0.701360 0.945787 0.437033 Si\n0.575781 0.263683 0.818288 O\n0.075781 0.736317 0.681712 O\n0.424219 0.736317 0.181712 O\n0.924219 0.263683 0.318288 O\n0.353832 0.225592 0.507146 O\n0.853832 0.774408 0.992854 O\n0.646168 0.774408 0.492854 O\n0.146168 0.225592 0.007146 O\n0.305849 0.563503 0.393792 O\n0.805849 0.436497 0.106208 O\n0.694151 0.436497 0.606208 O\n0.194151 0.563503 0.893792 O\n0.301012 0.926953 0.428191 O\n0.801012 0.073047 0.071809 O\n0.698988 0.073047 0.571809 O\n0.198988 0.926953 0.928191 O\n0.128362 0.440916 0.624956 O\n0.628362 0.559084 0.875044 O\n0.871638 0.559084 0.375044 O\n0.371638 0.440916 0.124956 O\n0.097327 0.984347 0.193038 O\n0.597327 0.015653 0.306962 O\n0.902673 0.015653 0.806962 O\n0.402673 0.984347 0.693038 O\n0.068086 0.511428 0.190017 O\n0.568086 0.488572 0.309983 O\n0.931914 0.488572 0.809983 O\n0.431914 0.511428 0.690017 O\n0.363636 0.061617 0.121667 O\n0.863636 0.938383 0.378333 O\n0.636364 0.938383 0.878333 O\n0.136364 0.061617 0.621667 O\n",
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"density_atomic": 0.06959664928787233,
"volume": 747.1624069847475,
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"formula_full": "Sr4 Ga8 Si8 O32",
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"energy": -388.08400052,
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"updated_at": "2021-11-28T01:35:44.475000Z",
"spacegroup": 14
},
{
"id": "mp-1208851",
"created_at": "2022-09-04T14:39:33.636365Z",
"structure_string": "Sr4 Gd2 Bi2 O12\n1.0\n4.898416 0.000000 -3.429349\n0.000000 6.141597 0.000000\n4.904358 0.000000 7.007466\nSr Gd Bi O\n4 2 2 12\ndirect\n0.012520 0.453323 0.252135 Sr\n0.987480 0.546677 0.747865 Sr\n0.487480 0.953323 0.247865 Sr\n0.512520 0.046677 0.752135 Sr\n0.000000 0.000000 0.500000 Gd\n0.500000 0.500000 0.000000 Gd\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n0.903204 0.038841 0.241201 O\n0.096796 0.961159 0.758799 O\n0.596796 0.538841 0.258799 O\n0.403204 0.461159 0.741201 O\n0.195137 0.714247 0.055143 O\n0.804863 0.285753 0.944857 O\n0.304863 0.214247 0.444857 O\n0.695137 0.785753 0.555143 O\n0.289163 0.197091 0.047872 O\n0.710837 0.802909 0.952128 O\n0.210837 0.697091 0.452128 O\n0.789163 0.302909 0.547872 O\n",
"nsites": 20,
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"formula_full": "Sr4 Gd2 Bi2 O12",
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{
"id": "mp-560285",
"created_at": "2022-09-04T14:40:10.792524Z",
"structure_string": "Sr4 Gd2 Co2 Cu4 O14\n1.0\n5.321783 0.000393 -1.235209\n-0.292128 5.379381 -1.260139\n0.017008 0.001904 12.156450\nSr Gd Co Cu O\n4 2 2 4 14\ndirect\n0.849600 0.835892 0.695031 Sr\n0.154795 0.164064 0.305214 Sr\n0.349479 0.358902 0.694796 Sr\n0.654669 0.640843 0.304987 Sr\n0.502295 0.500176 0.999918 Gd\n0.002338 0.000204 0.000043 Gd\n0.720267 0.187908 0.500004 Co\n0.219025 0.811543 0.500023 Co\n0.930601 0.427449 0.855189 Cu\n0.430501 0.927816 0.855080 Cu\n0.075538 0.572853 0.144884 Cu\n0.575515 0.072296 0.144750 Cu\n0.687233 0.183293 0.867395 O\n0.314594 0.310977 0.126372 O\n0.819679 0.817001 0.132196 O\n0.198761 0.636062 0.351385 O\n0.849503 0.363993 0.648352 O\n0.188129 0.689344 0.873935 O\n0.187513 0.184454 0.867819 O\n0.870059 0.870648 0.500008 O\n0.687941 0.684737 0.873611 O\n0.371496 0.127607 0.500010 O\n0.814087 0.315375 0.126085 O\n0.701134 0.215518 0.351613 O\n0.320200 0.816228 0.132616 O\n0.347249 0.784816 0.648685 O\n",
"nsites": 26,
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],
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"density": 6.014728085000338,
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"volume": 348.1414701786235,
"volume_molar": 8.063680530034665,
"formula_full": "Sr4 Gd2 Co2 Cu4 O14",
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"updated_at": "2021-11-28T01:34:50.216000Z",
"spacegroup": 46
},
{
"id": "mp-1194240",
"created_at": "2022-09-04T14:41:00.240671Z",
"structure_string": "Sr4 Gd2 Cu4 Ru2 O16\n1.0\n5.472451 0.000000 0.000000\n0.000000 5.472451 0.000000\n0.000000 0.000000 11.740702\nSr Gd Cu Ru O\n4 2 4 2 16\ndirect\n0.500000 0.000000 0.810136 Sr\n0.000000 0.500000 0.189864 Sr\n0.500000 0.000000 0.189864 Sr\n0.000000 0.500000 0.810136 Sr\n0.500000 0.000000 0.500000 Gd\n0.000000 0.500000 0.500000 Gd\n0.500000 0.500000 0.643021 Cu\n0.000000 0.000000 0.356979 Cu\n0.500000 0.500000 0.356979 Cu\n0.000000 0.000000 0.643021 Cu\n0.500000 0.500000 0.000000 Ru\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.832808 O\n0.000000 0.000000 0.167192 O\n0.500000 0.500000 0.167192 O\n0.000000 0.000000 0.832808 O\n0.817044 0.317044 0.000000 O\n0.182956 0.682956 0.000000 O\n0.317044 0.182956 0.000000 O\n0.682956 0.817044 0.000000 O\n0.749544 0.249544 0.373193 O\n0.250456 0.750456 0.373193 O\n0.249544 0.250456 0.626807 O\n0.750456 0.749544 0.626807 O\n0.250456 0.750456 0.626807 O\n0.749544 0.249544 0.626807 O\n0.750456 0.749544 0.373193 O\n0.249544 0.250456 0.373193 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 6.5045618989713905,
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"volume": 351.6072554818909,
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"formula_full": "Sr4 Gd2 Cu4 Ru2 O16",
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"spacegroup": 127
},
{
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},
{
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],
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"updated_at": "2021-11-28T01:36:10.274000Z",
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},
{
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"structure_string": "Sr4 Gd2 Mo2 O12\n1.0\n5.898240 0.000000 0.000000\n0.000000 5.982191 0.000000\n-5.796844 0.000000 8.338096\nSr Gd Mo O\n4 2 2 12\ndirect\n0.237482 0.462729 0.749172 Sr\n0.237482 0.037271 0.249172 Sr\n0.762518 0.537271 0.250828 Sr\n0.762518 0.962729 0.750828 Sr\n0.500000 0.500000 0.500000 Gd\n0.500000 0.000000 0.000000 Gd\n0.000000 0.000000 0.500000 Mo\n0.000000 0.500000 0.000000 Mo\n0.774406 0.198440 0.541095 O\n0.774406 0.301560 0.041095 O\n0.225594 0.801560 0.458905 O\n0.225594 0.698440 0.958905 O\n0.148111 0.228418 0.947891 O\n0.148111 0.271582 0.447891 O\n0.851889 0.771582 0.052109 O\n0.851889 0.728418 0.552109 O\n0.321059 0.024223 0.731425 O\n0.321059 0.475777 0.231425 O\n0.678941 0.975777 0.268575 O\n0.678941 0.524223 0.768575 O\n",
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"formula_full": "Sr4 Gd2 Mo2 O12",
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{
"id": "mp-16796",
"created_at": "2022-09-04T14:47:23.527131Z",
"structure_string": "Sr4 Gd2 Ru2 O12\n1.0\n5.918952 0.000000 0.000000\n0.000000 5.837401 0.000000\n0.000000 5.770150 8.288330\nSr Gd Ru O\n4 2 2 12\ndirect\n0.539686 0.739519 0.750639 Sr\n0.039686 0.260481 0.749361 Sr\n0.960314 0.739519 0.250639 Sr\n0.460314 0.260481 0.249361 Sr\n0.000000 0.000000 0.500000 Gd\n0.500000 0.000000 0.000000 Gd\n0.000000 0.500000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n0.522660 0.811995 0.267818 O\n0.022660 0.188005 0.232182 O\n0.477340 0.188005 0.732182 O\n0.977340 0.811995 0.767818 O\n0.771765 0.648861 0.544030 O\n0.271765 0.351139 0.955970 O\n0.228235 0.351139 0.455970 O\n0.728235 0.648861 0.044030 O\n0.196384 0.729353 0.041082 O\n0.696384 0.270647 0.458918 O\n0.803616 0.270647 0.958918 O\n0.303616 0.729353 0.541082 O\n",
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{
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}