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{
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{
"id": "mp-6198",
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"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",
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"elements": [
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"Si",
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],
"chemical_system": "Ga-O-Si-Sr",
"density": 3.609988628851849,
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"volume": 756.6418664992298,
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"formula_full": "Sr4 Ga8 Si8 O32",
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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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"elements": [
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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-1080133",
"created_at": "2022-09-04T14:42:38.878459Z",
"structure_string": "Sr2 Ga6 Pd2\n1.0\n3.238464 -5.284300 0.000000\n3.238464 5.284300 0.000000\n0.000000 0.000000 6.048939\nSr Ga Pd\n2 6 2\ndirect\n0.234918 0.765082 0.750000 Sr\n0.765082 0.234918 0.250000 Sr\n0.662567 0.337433 0.750000 Ga\n0.337433 0.662567 0.250000 Ga\n0.719136 0.719136 0.000000 Ga\n0.719136 0.719136 0.500000 Ga\n0.280864 0.280864 0.000000 Ga\n0.280864 0.280864 0.500000 Ga\n0.902430 0.097570 0.750000 Pd\n0.097570 0.902430 0.250000 Pd\n",
"nsites": 10,
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"elements": [
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"Ga",
"Pd"
],
"chemical_system": "Ga-Pd-Sr",
"density": 6.4680530150941795,
"density_atomic": 0.04830190510814536,
"volume": 207.03117149542112,
"volume_molar": 12.467708564531257,
"formula_full": "Sr2 Ga6 Pd2",
"formula_reduced": "SrGa3Pd",
"formula_anonymous": "ABC3",
"energy": -38.05619848,
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"updated_at": "2021-11-28T01:35:49.829000Z",
"spacegroup": 63
},
{
"id": "mp-1827",
"created_at": "2022-09-04T14:44:51.016578Z",
"structure_string": "Sr1 Ga4\n1.0\n-2.243567 2.243567 5.423882\n2.243567 -2.243567 5.423882\n2.243567 2.243567 -5.423882\nSr Ga\n1 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.617286 0.617286 0.000000 Ga\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ga\n0.382714 0.382714 0.000000 Ga\n",
"nsites": 5,
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"elements": [
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],
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"density": 5.57299925593879,
"density_atomic": 0.04578483922250398,
"volume": 109.20645534433633,
"volume_molar": 13.153132919684953,
"formula_full": "Sr1 Ga4",
"formula_reduced": "SrGa4",
"formula_anonymous": "AB4",
"energy": -15.8988799,
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"energy_uncorrected": -15.8988799,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:36:43.471000Z",
"spacegroup": 139
},
{
"id": "mp-1208621",
"created_at": "2022-09-04T14:47:19.114533Z",
"structure_string": "Sr1 Ga4 Au3\n1.0\n4.436587 0.000000 0.000000\n0.000000 4.436587 0.000000\n0.000000 0.000000 8.758416\nSr Ga Au\n1 4 3\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.500000 0.173585 Ga\n0.000000 0.500000 0.826415 Ga\n0.500000 0.000000 0.173585 Ga\n0.500000 0.000000 0.826415 Ga\n0.500000 0.500000 0.340684 Au\n0.500000 0.500000 0.659316 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 8,
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"elements": [
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"Ga",
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],
"chemical_system": "Au-Ga-Sr",
"density": 9.22198172743443,
"density_atomic": 0.04640517483703606,
"volume": 172.3945665131981,
"volume_molar": 12.977304322520768,
"formula_full": "Sr1 Ga4 Au3",
"formula_reduced": "SrGa4Au3",
"formula_anonymous": "AB3C4",
"energy": -27.3357071,
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"updated_at": "2021-11-28T01:38:04.849000Z",
"spacegroup": 123
},
{
"id": "mp-18253",
"created_at": "2022-09-04T14:39:36.013958Z",
"structure_string": "Sr2 Ga8 O14\n1.0\n4.659598 6.825281 0.000000\n-4.659598 6.825281 0.000000\n0.000000 1.541169 5.567032\nSr Ga O\n2 8 14\ndirect\n0.310955 0.689045 0.750000 Sr\n0.689045 0.310955 0.250000 Sr\n0.755670 0.581072 0.699896 Ga\n0.418928 0.244330 0.800104 Ga\n0.244330 0.418928 0.300104 Ga\n0.581072 0.755670 0.199896 Ga\n0.057352 0.181392 0.741332 Ga\n0.818608 0.942648 0.758668 Ga\n0.181392 0.057352 0.241332 Ga\n0.942648 0.818608 0.258668 Ga\n0.033852 0.966148 0.750000 O\n0.966148 0.033852 0.250000 O\n0.875401 0.363997 0.853525 O\n0.636003 0.124600 0.646475 O\n0.124599 0.636003 0.146475 O\n0.363997 0.875401 0.353525 O\n0.335649 0.431211 0.558586 O\n0.568789 0.664351 0.941414 O\n0.749591 0.873040 0.093127 O\n0.126960 0.250409 0.406873 O\n0.250409 0.126960 0.906873 O\n0.873040 0.749591 0.593127 O\n0.431211 0.335649 0.058586 O\n0.664351 0.568789 0.441414 O\n",
"nsites": 24,
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"density": 4.487923184039294,
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"volume": 354.09736886702575,
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"formula_full": "Sr2 Ga8 O14",
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"updated_at": "2021-11-28T01:34:24.067000Z",
"spacegroup": 15
},
{
"id": "mp-972120",
"created_at": "2022-09-04T14:47:21.658984Z",
"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",
"nsites": 20,
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"elements": [
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],
"chemical_system": "As-Ga-Sr",
"density": 5.010324914767039,
"density_atomic": 0.04002672513763157,
"volume": 499.6661588283868,
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"formula_full": "Sr4 Ga8 As8",
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"formula_anonymous": "AB2C2",
"energy": -81.21649757,
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"updated_at": "2021-11-28T01:38:04.466000Z",
"spacegroup": 10
},
{
"id": "mp-12780",
"created_at": "2022-09-04T14:46:11.070779Z",
"structure_string": "Sr2 Ga4 Au4\n1.0\n4.553548 0.000000 0.000000\n0.000000 4.553548 0.000000\n0.000000 0.000000 10.718016\nSr Ga Au\n2 4 4\ndirect\n0.000000 0.500000 0.750671 Sr\n0.500000 0.000000 0.249329 Sr\n0.000000 0.500000 0.125970 Ga\n0.000000 0.000000 0.500000 Ga\n0.500000 0.000000 0.874030 Ga\n0.500000 0.500000 0.500000 Ga\n0.500000 0.000000 0.630896 Au\n0.500000 0.500000 0.000000 Au\n0.000000 0.000000 0.000000 Au\n0.000000 0.500000 0.369104 Au\n",
"nsites": 10,
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"elements": [
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"Ga",
"Au"
],
"chemical_system": "Au-Ga-Sr",
"density": 9.28016828195637,
"density_atomic": 0.044997228071628814,
"volume": 222.2359116006325,
"volume_molar": 13.383359415859257,
"formula_full": "Sr2 Ga4 Au4",
"formula_reduced": "Sr(GaAu)2",
"formula_anonymous": "AB2C2",
"energy": -34.60722611,
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"updated_at": "2021-11-28T01:37:17.400000Z",
"spacegroup": 129
},
{
"id": "mp-1197916",
"created_at": "2022-09-04T14:40:17.907049Z",
"structure_string": "Sr8 Ga8 B8 O32\n1.0\n5.982723 0.000000 0.000000\n0.000000 9.119680 0.000000\n0.000000 0.000000 15.554765\nSr Ga B O\n8 8 8 32\ndirect\n0.502612 0.573906 0.620673 Sr\n0.502612 0.426094 0.379327 Sr\n0.497388 0.926094 0.120673 Sr\n0.497388 0.073906 0.879327 Sr\n0.997001 0.213211 0.021366 Sr\n0.997001 0.786789 0.978634 Sr\n0.002999 0.286789 0.521366 Sr\n0.002999 0.713211 0.478634 Sr\n0.746756 0.461822 0.845554 Ga\n0.746756 0.538178 0.154446 Ga\n0.253244 0.038178 0.345554 Ga\n0.253244 0.961822 0.654446 Ga\n0.247483 0.463552 0.846474 Ga\n0.247483 0.536448 0.153526 Ga\n0.752517 0.036448 0.346474 Ga\n0.752517 0.963552 0.653526 Ga\n0.000233 0.519741 0.686850 B\n0.000233 0.480259 0.313150 B\n0.999767 0.980259 0.186850 B\n0.999767 0.019741 0.813150 B\n0.502340 0.207240 0.575792 B\n0.502340 0.792760 0.424208 B\n0.497660 0.292760 0.075792 B\n0.497660 0.707240 0.924208 B\n0.002933 0.530704 0.599010 O\n0.002933 0.469296 0.400990 O\n0.997067 0.969296 0.099010 O\n0.997067 0.030704 0.900990 O\n0.293794 0.640953 0.905437 O\n0.293794 0.359047 0.094563 O\n0.706206 0.859047 0.405437 O\n0.706206 0.140953 0.594563 O\n0.496487 0.346046 0.853961 O\n0.496487 0.653954 0.146039 O\n0.503513 0.153954 0.353961 O\n0.503513 0.846046 0.646039 O\n0.700425 0.357839 0.098089 O\n0.700425 0.642161 0.901911 O\n0.299575 0.142161 0.598089 O\n0.299575 0.857839 0.401911 O\n0.203142 0.517831 0.731197 O\n0.203142 0.482169 0.268803 O\n0.796858 0.982169 0.231197 O\n0.796858 0.017831 0.768803 O\n0.795391 0.507391 0.729203 O\n0.795391 0.492609 0.270797 O\n0.204609 0.992609 0.229203 O\n0.204609 0.007391 0.770797 O\n0.997040 0.376624 0.891769 O\n0.997040 0.623376 0.108231 O\n0.002960 0.123376 0.391769 O\n0.002960 0.876624 0.608231 O\n0.501000 0.340303 0.534334 O\n0.501000 0.659697 0.465666 O\n0.499000 0.159697 0.034334 O\n0.499000 0.840303 0.965666 O\n",
"nsites": 56,
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"elements": [
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"B",
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],
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"volume": 848.6760558127623,
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"formula_full": "Sr8 Ga8 B8 O32",
"formula_reduced": "SrGaBO4",
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