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{
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"results": [
{
"id": "mp-1179118",
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"structure_string": "Sr1 Ga1 Cu3 Se4\n1.0\n6.079860 0.000000 0.000000\n0.000000 6.079860 0.000000\n0.000000 0.000000 6.079860\nSr Ga Cu Se\n1 1 3 4\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.226651 0.226651 0.226651 Se\n0.773349 0.773349 0.226651 Se\n0.226651 0.773349 0.773349 Se\n0.773349 0.226651 0.773349 Se\n",
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},
{
"id": "mp-1208823",
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"structure_string": "Sr8 Ga8 F40\n1.0\n-7.330498 7.330498 3.726648\n7.330498 -7.330498 3.726648\n7.330498 7.330498 -3.726648\nSr Ga F\n8 8 40\ndirect\n0.930826 0.204392 0.175804 Sr\n0.028589 0.755022 0.824196 Sr\n0.204392 0.028589 0.273567 Sr\n0.755022 0.930826 0.726433 Sr\n0.725103 0.410081 0.181068 Sr\n0.229012 0.544035 0.818932 Sr\n0.410081 0.229012 0.684977 Sr\n0.544035 0.725103 0.315023 Sr\n0.717268 0.717268 0.000000 Ga\n0.646989 0.164481 0.852041 Ga\n0.312440 0.794948 0.147959 Ga\n0.164481 0.312440 0.517492 Ga\n0.794948 0.646989 0.482508 Ga\n0.219169 0.219169 0.000000 Ga\n0.972057 0.472057 0.500000 Ga\n0.472057 0.972057 0.500000 Ga\n0.515086 0.904245 0.812476 F\n0.091769 0.702610 0.187524 F\n0.904245 0.091769 0.389160 F\n0.702610 0.515086 0.610840 F\n0.722034 0.222034 0.500000 F\n0.222034 0.722034 0.500000 F\n0.467528 0.467528 0.000000 F\n0.411345 0.069392 0.863176 F\n0.206216 0.548170 0.136824 F\n0.069392 0.206216 0.658046 F\n0.548170 0.411345 0.341954 F\n0.756263 0.244204 0.032662 F\n0.211542 0.723601 0.967338 F\n0.244204 0.211542 0.487941 F\n0.723601 0.756263 0.512059 F\n0.555605 0.905159 0.141786 F\n0.763373 0.413819 0.858214 F\n0.905159 0.763373 0.349554 F\n0.413819 0.555605 0.650446 F\n0.968172 0.968172 0.000000 F\n0.908355 0.362830 0.320984 F\n0.041847 0.587371 0.679016 F\n0.362830 0.041847 0.454476 F\n0.587371 0.908355 0.545524 F\n0.328763 0.161539 0.075932 F\n0.085607 0.252832 0.924068 F\n0.161539 0.085607 0.832776 F\n0.252832 0.328763 0.167224 F\n0.518791 0.089533 0.668830 F\n0.420704 0.849961 0.331170 F\n0.089533 0.420704 0.570742 F\n0.849961 0.518791 0.429258 F\n0.603716 0.768326 0.918453 F\n0.849873 0.685263 0.081547 F\n0.768326 0.849873 0.164610 F\n0.685263 0.603716 0.835390 F\n0.442901 0.055420 0.195695 F\n0.859725 0.247207 0.804305 F\n0.055420 0.859725 0.612519 F\n0.247207 0.442901 0.387481 F\n",
"nsites": 56,
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"elements": [
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"Ga",
"F"
],
"chemical_system": "F-Ga-Sr",
"density": 4.184766990427634,
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"volume": 801.0236228637771,
"volume_molar": 8.614066087447894,
"formula_full": "Sr8 Ga8 F40",
"formula_reduced": "SrGaF5",
"formula_anonymous": "ABC5",
"energy": -310.01088615000003,
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"updated_at": "2021-11-28T01:38:24.119000Z",
"spacegroup": 79
},
{
"id": "mp-1218272",
"created_at": "2022-09-04T14:42:18.169324Z",
"structure_string": "Sr1 Ga1 Ge1\n1.0\n2.171194 -3.760619 0.000000\n2.171194 3.760619 0.000000\n0.000000 0.000000 4.707621\nSr Ga Ge\n1 1 1\ndirect\n0.333333 0.666667 0.000000 Sr\n0.666667 0.333333 0.500000 Ga\n0.000000 0.000000 0.500000 Ge\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Ga-Ge-Sr",
"density": 4.967700207554004,
"density_atomic": 0.03902400166148344,
"volume": 76.87576548462968,
"volume_molar": 15.431889359372985,
"formula_full": "Sr1 Ga1 Ge1",
"formula_reduced": "SrGaGe",
"formula_anonymous": "ABC",
"energy": -10.91594068,
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"updated_at": "2021-11-28T01:35:45.536000Z",
"spacegroup": 187
},
{
"id": "mp-1102705",
"created_at": "2022-09-04T14:41:50.342032Z",
"structure_string": "Sr4 Ga4 Ge4\n1.0\n2.162079 -3.744831 0.000000\n2.162079 3.744831 0.000000\n0.000000 0.000000 19.134541\nSr Ga Ge\n4 4 4\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.250000 Sr\n0.000000 0.000000 0.750000 Sr\n0.333333 0.666667 0.354242 Ga\n0.666667 0.333333 0.645758 Ga\n0.666667 0.333333 0.854242 Ga\n0.333333 0.666667 0.145758 Ga\n0.333333 0.666667 0.887520 Ge\n0.666667 0.333333 0.112480 Ge\n0.666667 0.333333 0.387520 Ge\n0.333333 0.666667 0.612480 Ge\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Ga",
"Ge"
],
"chemical_system": "Ga-Ge-Sr",
"density": 4.930068996738305,
"density_atomic": 0.038728387922320515,
"volume": 309.85023244626154,
"volume_molar": 15.549680952584218,
"formula_full": "Sr4 Ga4 Ge4",
"formula_reduced": "SrGaGe",
"formula_anonymous": "ABC",
"energy": -43.84297265,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:35:28.318000Z",
"spacegroup": 194
},
{
"id": "mp-978847",
"created_at": "2022-09-04T14:44:01.691835Z",
"structure_string": "Sr1 Ga1 Ge1 H1\n1.0\n2.132370 -3.693373 0.000000\n2.132370 3.693373 0.000000\n0.000000 0.000000 4.964212\nSr Ga Ge H\n1 1 1 1\ndirect\n0.333333 0.666667 0.998003 Sr\n0.666667 0.333333 0.557207 Ga\n0.000000 0.000000 0.436186 Ge\n0.666667 0.333333 0.914207 H\n",
"nsites": 4,
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"elements": [
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"Ga",
"Ge",
"H"
],
"chemical_system": "Ga-Ge-H-Sr",
"density": 4.905440293352701,
"density_atomic": 0.05115568939033623,
"volume": 78.19267119007169,
"volume_molar": 11.772181807675214,
"formula_full": "Sr1 Ga1 Ge1 H1",
"formula_reduced": "SrGaGeH",
"formula_anonymous": "ABCD",
"energy": -14.81660425,
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"energy_above_hull": null,
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"is_magnetic": false,
"total_magnetization": 4.36e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:34.912000Z",
"spacegroup": 156
},
{
"id": "mp-978854",
"created_at": "2022-09-04T14:47:02.020030Z",
"structure_string": "Sr1 Ga2 H2\n1.0\n2.207559 -3.823605 0.000000\n2.207559 3.823605 0.000000\n0.000000 0.000000 4.683963\nSr Ga H\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.333333 0.666667 0.463017 Ga\n0.666667 0.333333 0.536983 Ga\n0.333333 0.666667 0.099138 H\n0.666667 0.333333 0.900862 H\n",
"nsites": 5,
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"elements": [
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"H"
],
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"density": 4.810730677989001,
"density_atomic": 0.06323262518910645,
"volume": 79.07310482597813,
"volume_molar": 9.523787351845511,
"formula_full": "Sr1 Ga2 H2",
"formula_reduced": "Sr(GaH)2",
"formula_anonymous": "AB2C2",
"energy": -16.91533218,
"energy_per_atom": -3.383066436,
"energy_above_hull": null,
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"energy_uncorrected": -16.55733218,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 2.8e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:46.643000Z",
"spacegroup": 164
},
{
"id": "mp-510719",
"created_at": "2022-09-04T14:40:53.400438Z",
"structure_string": "Sr4 Ga4 H16\n1.0\n4.735601 0.000000 0.000000\n0.000000 7.460798 0.000000\n0.000000 0.000000 8.786544\nSr Ga H\n4 4 16\ndirect\n0.750000 0.248581 0.004704 Sr\n0.250000 0.751419 0.995296 Sr\n0.250000 0.748581 0.495296 Sr\n0.750000 0.251419 0.504704 Sr\n0.750000 0.604197 0.242607 Ga\n0.250000 0.395803 0.757393 Ga\n0.250000 0.104197 0.257393 Ga\n0.750000 0.895803 0.742607 Ga\n0.485789 0.751543 0.743906 H\n0.985789 0.248457 0.256094 H\n0.985789 0.251543 0.756094 H\n0.485789 0.748457 0.243906 H\n0.750000 0.578452 0.038996 H\n0.250000 0.421548 0.961004 H\n0.250000 0.078452 0.461004 H\n0.750000 0.921548 0.538996 H\n0.750000 0.919948 0.946101 H\n0.250000 0.080052 0.053899 H\n0.250000 0.419948 0.553899 H\n0.750000 0.580052 0.446101 H\n0.514211 0.251543 0.756094 H\n0.014211 0.748457 0.243906 H\n0.014211 0.751543 0.743906 H\n0.514211 0.248457 0.256094 H\n",
"nsites": 24,
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"elements": [
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],
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"density": 3.452758671972108,
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"volume": 310.44057091907143,
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"formula_full": "Sr4 Ga4 H16",
"formula_reduced": "SrGaH4",
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"energy": -79.46809987,
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"updated_at": "2021-11-28T01:35:00.217000Z",
"spacegroup": 62
},
{
"id": "mp-1192424",
"created_at": "2022-09-04T14:43:36.748656Z",
"structure_string": "Sr4 Ga4 H20\n1.0\n4.723490 0.000000 0.000000\n0.000000 8.706211 0.000000\n0.000000 0.000000 8.868152\nSr Ga H\n4 4 20\ndirect\n0.750000 0.493766 0.318304 Sr\n0.250000 0.506234 0.681696 Sr\n0.250000 0.006234 0.818304 Sr\n0.750000 0.993766 0.181696 Sr\n0.750000 0.333476 0.915376 Ga\n0.250000 0.666524 0.084624 Ga\n0.250000 0.166524 0.415376 Ga\n0.750000 0.833476 0.584624 Ga\n0.024936 0.773841 0.670802 H\n0.524936 0.226159 0.329198 H\n0.524936 0.726159 0.170802 H\n0.024936 0.273841 0.829198 H\n0.750000 0.516363 0.901971 H\n0.250000 0.483637 0.098029 H\n0.250000 0.983637 0.401971 H\n0.750000 0.016363 0.598029 H\n0.750000 0.481519 0.587260 H\n0.250000 0.518481 0.412740 H\n0.250000 0.018481 0.087260 H\n0.750000 0.981519 0.912740 H\n0.975064 0.726159 0.170802 H\n0.475064 0.273841 0.829198 H\n0.475064 0.773841 0.670802 H\n0.975064 0.226159 0.329198 H\n0.750000 0.282724 0.088915 H\n0.250000 0.717276 0.911085 H\n0.250000 0.217276 0.588915 H\n0.750000 0.782724 0.411085 H\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"Ga",
"H"
],
"chemical_system": "Ga-H-Sr",
"density": 2.957491670934834,
"density_atomic": 0.07677727862350145,
"volume": 364.6912276912772,
"volume_molar": 7.843649668193148,
"formula_full": "Sr4 Ga4 H20",
"formula_reduced": "SrGaH5",
"formula_anonymous": "ABC5",
"energy": -96.26320697,
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"updated_at": "2021-11-28T01:36:18.714000Z",
"spacegroup": 62
},
{
"id": "mp-554923",
"created_at": "2022-09-04T14:41:05.256777Z",
"structure_string": "Sr8 Ga16 O32\n1.0\n10.876826 0.000000 0.000000\n0.000000 8.215093 0.000000\n0.000000 7.943374 9.178896\nSr Ga O\n8 16 32\ndirect\n0.890455 0.279761 0.225170 Sr\n0.109545 0.720239 0.774830 Sr\n0.609545 0.279761 0.725170 Sr\n0.152260 0.296552 0.700083 Sr\n0.390455 0.720239 0.274830 Sr\n0.652260 0.703448 0.799917 Sr\n0.347740 0.296552 0.200083 Sr\n0.847740 0.703448 0.299917 Sr\n0.634891 0.099253 0.092543 Ga\n0.637765 0.848758 0.432412 Ga\n0.862235 0.848758 0.932412 Ga\n0.865109 0.099253 0.592543 Ga\n0.886427 0.241214 0.930622 Ga\n0.886632 0.667875 0.594976 Ga\n0.386632 0.332125 0.905024 Ga\n0.137765 0.151242 0.067588 Ga\n0.386427 0.758786 0.569378 Ga\n0.113368 0.332125 0.405024 Ga\n0.613368 0.667875 0.094976 Ga\n0.134891 0.900747 0.407457 Ga\n0.613573 0.241214 0.430622 Ga\n0.113573 0.758786 0.069378 Ga\n0.362235 0.151242 0.567588 Ga\n0.365109 0.900747 0.907457 Ga\n0.741400 0.605079 0.546631 O\n0.280999 0.965969 0.747903 O\n0.519108 0.253305 0.554497 O\n0.780999 0.034031 0.752097 O\n0.524812 0.807775 0.922118 O\n0.024812 0.192225 0.577882 O\n0.886609 0.818159 0.661640 O\n0.480892 0.746695 0.445503 O\n0.635175 0.952824 0.528074 O\n0.241400 0.394921 0.953369 O\n0.475188 0.192225 0.077882 O\n0.965504 0.418243 0.751327 O\n0.219001 0.965969 0.247903 O\n0.019108 0.746695 0.945503 O\n0.534496 0.418243 0.251327 O\n0.135175 0.047176 0.971926 O\n0.258600 0.394921 0.453369 O\n0.217184 0.683534 0.583504 O\n0.717184 0.316466 0.916496 O\n0.980892 0.253305 0.054497 O\n0.282816 0.683534 0.083504 O\n0.386609 0.181841 0.838360 O\n0.719001 0.034031 0.252097 O\n0.465504 0.581757 0.748673 O\n0.975188 0.807775 0.422118 O\n0.864825 0.952824 0.028074 O\n0.364825 0.047176 0.471926 O\n0.758600 0.605079 0.046631 O\n0.034496 0.581757 0.248673 O\n0.782816 0.316466 0.416496 O\n0.613391 0.818159 0.161640 O\n0.113391 0.181841 0.338360 O\n",
"nsites": 56,
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"elements": [
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"O"
],
"chemical_system": "Ga-O-Sr",
"density": 4.714350483174791,
"density_atomic": 0.068278333491459,
"volume": 820.1723319302323,
"volume_molar": 8.819987911323752,
"formula_full": "Sr8 Ga16 O32",
"formula_reduced": "Sr(GaO2)2",
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"energy": -368.07114357,
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"updated_at": "2021-11-28T01:35:10.976000Z",
"spacegroup": 14
},
{
"id": "mp-4851",
"created_at": "2022-09-04T14:42:06.373004Z",
"structure_string": "Sr8 Ga16 O32\n1.0\n9.111356 0.000000 0.000000\n0.000000 8.487282 0.000000\n0.000000 0.762990 10.801264\nSr Ga O\n8 16 32\ndirect\n0.713190 0.502014 0.130602 Sr\n0.213190 0.497986 0.369398 Sr\n0.286810 0.497986 0.869398 Sr\n0.786810 0.502014 0.630602 Sr\n0.739597 0.034581 0.148849 Sr\n0.239597 0.965419 0.351151 Sr\n0.260403 0.965419 0.851151 Sr\n0.760403 0.034581 0.648849 Sr\n0.557962 0.678118 0.360807 Ga\n0.057962 0.321882 0.139193 Ga\n0.442038 0.321882 0.639193 Ga\n0.942038 0.678118 0.860807 Ga\n0.905155 0.195523 0.389071 Ga\n0.405155 0.804477 0.110929 Ga\n0.094845 0.804477 0.610929 Ga\n0.594845 0.195523 0.889071 Ga\n0.893172 0.794900 0.380459 Ga\n0.393172 0.205100 0.119541 Ga\n0.106828 0.205100 0.619541 Ga\n0.606828 0.794900 0.880459 Ga\n0.063548 0.720197 0.130308 Ga\n0.563548 0.279803 0.369692 Ga\n0.936452 0.279803 0.869692 Ga\n0.436452 0.720197 0.630308 Ga\n0.745079 0.652816 0.426051 O\n0.245079 0.347184 0.073949 O\n0.254921 0.347184 0.573949 O\n0.754921 0.652816 0.926051 O\n0.579174 0.782906 0.202234 O\n0.079174 0.217094 0.297766 O\n0.420826 0.217094 0.797766 O\n0.920826 0.782906 0.702234 O\n0.065933 0.717628 0.458739 O\n0.565933 0.282372 0.041261 O\n0.934067 0.282372 0.541261 O\n0.434067 0.717628 0.958739 O\n0.748110 0.271696 0.292060 O\n0.248110 0.728304 0.207940 O\n0.251890 0.728304 0.707940 O\n0.751890 0.271696 0.792060 O\n0.939110 0.849725 0.214324 O\n0.439110 0.150275 0.285676 O\n0.060890 0.150275 0.785676 O\n0.560890 0.849725 0.714324 O\n0.488894 0.479743 0.321387 O\n0.988894 0.520257 0.178613 O\n0.511106 0.520257 0.678613 O\n0.011106 0.479743 0.821387 O\n0.660885 0.990319 0.933871 O\n0.160885 0.009681 0.566129 O\n0.339115 0.009681 0.066129 O\n0.839115 0.990319 0.433871 O\n0.416250 0.761364 0.460673 O\n0.916250 0.238636 0.039327 O\n0.583750 0.238636 0.539327 O\n0.083750 0.761364 0.960673 O\n",
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"elements": [
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"formula_full": "Sr8 Ga16 O32",
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"updated_at": "2021-11-28T01:35:43.669000Z",
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},
{
"id": "mp-1078231",
"created_at": "2022-09-04T14:47:28.621769Z",
"structure_string": "Sr2 Ga4 Rh4\n1.0\n0.000000 5.307939 6.794109\n2.913565 0.000000 6.794109\n2.913565 5.307939 0.000000\nSr Ga Rh\n2 4 4\ndirect\n0.500000 0.500000 0.500000 Sr\n0.750000 0.750000 0.750000 Sr\n0.818776 0.181224 0.818776 Ga\n0.181224 0.818776 0.181224 Ga\n0.431224 0.068776 0.431224 Ga\n0.068776 0.431224 0.068776 Ga\n0.116097 0.116097 0.883903 Rh\n0.883903 0.883903 0.116097 Rh\n0.133903 0.133903 0.366097 Rh\n0.366097 0.366097 0.133903 Rh\n",
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],
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"density": 6.841171280190325,
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"volume": 210.1421350504794,
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"formula_full": "Sr2 Ga4 Rh4",
"formula_reduced": "Sr(GaRh)2",
"formula_anonymous": "AB2C2",
"energy": -51.95713096,
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"updated_at": "2021-11-28T01:38:07.302000Z",
"spacegroup": 70
},
{
"id": "mp-14425",
"created_at": "2022-09-04T14:42:06.763031Z",
"structure_string": "Sr8 Ga16 S32\n1.0\n0.000000 10.377737 10.618482\n6.171972 0.000000 10.618482\n6.171972 10.377737 0.000000\nSr Ga S\n8 16 32\ndirect\n0.498337 0.498337 0.001663 Sr\n0.001663 0.001663 0.498337 Sr\n0.751663 0.751663 0.248337 Sr\n0.248337 0.248337 0.751663 Sr\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Sr\n0.234732 0.514343 0.488951 Ga\n0.761974 0.488951 0.514343 Ga\n0.488951 0.761974 0.234732 Ga\n0.514343 0.234732 0.761974 Ga\n0.015268 0.735657 0.761049 Ga\n0.488026 0.761049 0.735657 Ga\n0.761049 0.488026 0.015268 Ga\n0.735657 0.015268 0.488026 Ga\n0.592089 0.157441 0.264927 Ga\n0.985543 0.264927 0.157441 Ga\n0.264927 0.985543 0.592089 Ga\n0.157441 0.592089 0.985543 Ga\n0.657911 0.092559 0.985073 Ga\n0.264457 0.985073 0.092559 Ga\n0.985073 0.264457 0.657911 Ga\n0.092559 0.657911 0.264457 Ga\n0.312381 0.435567 0.782876 S\n0.469175 0.782876 0.435567 S\n0.782876 0.469175 0.312381 S\n0.435567 0.312381 0.469175 S\n0.937619 0.814433 0.467124 S\n0.780825 0.467124 0.814433 S\n0.467124 0.780825 0.937619 S\n0.814433 0.937619 0.780825 S\n0.976845 0.774917 0.964056 S\n0.284182 0.964056 0.774917 S\n0.964056 0.284182 0.976845 S\n0.774917 0.976845 0.284182 S\n0.273155 0.475083 0.285944 S\n0.965818 0.285944 0.475083 S\n0.285944 0.965818 0.273155 S\n0.475083 0.273155 0.965818 S\n0.207972 0.205705 0.042117 S\n0.544206 0.042117 0.205705 S\n0.042117 0.544206 0.207972 S\n0.205705 0.207972 0.544206 S\n0.042028 0.044295 0.207883 S\n0.705794 0.207883 0.044295 S\n0.207883 0.705794 0.042028 S\n0.044295 0.042028 0.705794 S\n0.544813 0.542094 0.705693 S\n0.207400 0.705693 0.542094 S\n0.705693 0.207400 0.544813 S\n0.542094 0.544813 0.207400 S\n0.705187 0.707906 0.544307 S\n0.042600 0.544307 0.707906 S\n0.544307 0.042600 0.705187 S\n0.707906 0.705187 0.042600 S\n",
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"formula_full": "Sr8 Ga16 S32",
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}
]
}