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{
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"results": [
{
"id": "mp-1235374",
"created_at": "2022-09-04T14:48:17.166865Z",
"structure_string": "Sr1 Li1 Al2 B2 O7\n1.0\n4.533382 -0.119329 7.364390\n1.976711 4.059464 7.348549\n-0.130884 -0.112133 8.923192\nSr Li Al B O\n1 1 2 2 7\ndirect\n0.009727 0.001249 0.000133 Sr\n0.774541 0.836054 0.979921 Li\n0.444083 0.463099 0.388292 Al\n0.556706 0.538631 0.596922 Al\n0.261346 0.228646 0.292236 B\n0.741994 0.756913 0.712423 B\n0.042739 0.690644 0.464894 O\n0.492861 0.062358 0.653243 O\n0.668313 0.506111 0.013896 O\n0.548780 0.579543 0.374835 O\n0.313784 0.935292 0.551899 O\n0.521646 0.250213 0.990151 O\n0.967230 0.494995 0.332717 O\n",
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"spacegroup": 1
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{
"id": "mp-1020627",
"created_at": "2022-09-04T14:39:25.073338Z",
"structure_string": "Sr4 Li4 Al12 N16\n1.0\n5.884908 0.000000 0.000000\n1.366083 7.405831 0.000000\n2.279717 0.716289 9.708716\nSr Li Al N\n4 4 12 16\ndirect\n0.997514 0.865303 0.873700 Sr\n0.002486 0.134697 0.126300 Sr\n0.976245 0.616468 0.628323 Sr\n0.023755 0.383532 0.371677 Sr\n0.532651 0.674468 0.887486 Li\n0.467349 0.325532 0.112514 Li\n0.790571 0.820069 0.355861 Li\n0.209429 0.179931 0.644139 Li\n0.447963 0.045708 0.876565 Al\n0.552037 0.954292 0.123435 Al\n0.824423 0.059007 0.602278 Al\n0.175577 0.940993 0.397722 Al\n0.831878 0.291543 0.852120 Al\n0.168122 0.708457 0.147880 Al\n0.178869 0.442772 0.899954 Al\n0.821131 0.557228 0.100046 Al\n0.530879 0.438228 0.624615 Al\n0.469121 0.561772 0.375385 Al\n0.435773 0.796277 0.632973 Al\n0.564227 0.203723 0.367027 Al\n0.651170 0.131898 0.971052 N\n0.348830 0.868102 0.028948 N\n0.626256 0.644862 0.496090 N\n0.373744 0.355138 0.503910 N\n0.613712 0.916313 0.720210 N\n0.386288 0.083687 0.279790 N\n0.849207 0.069147 0.407743 N\n0.150793 0.930853 0.592257 N\n0.169190 0.204675 0.856034 N\n0.830810 0.795325 0.143966 N\n0.838033 0.522586 0.911566 N\n0.161967 0.477414 0.088434 N\n0.801980 0.290561 0.667338 N\n0.198020 0.709439 0.332662 N\n0.340855 0.590284 0.761057 N\n0.659145 0.409716 0.238943 N\n",
"nsites": 36,
"nelements": 4,
"elements": [
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"N"
],
"chemical_system": "Al-Li-N-Sr",
"density": 3.6345079205023807,
"density_atomic": 0.08507995046949998,
"volume": 423.13141699471856,
"volume_molar": 7.078213758667921,
"formula_full": "Sr4 Li4 Al12 N16",
"formula_reduced": "SrLiAl3N4",
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"energy": -240.20884812,
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"updated_at": "2021-11-28T01:34:25.385000Z",
"spacegroup": 2
},
{
"id": "mp-1195827",
"created_at": "2022-09-04T14:42:51.723334Z",
"structure_string": "Sr4 Li4 Al4 F24\n1.0\n8.942108 0.000000 0.000000\n0.000000 5.172921 0.000000\n0.000000 0.036551 10.329711\nSr Li Al F\n4 4 4 24\ndirect\n0.261429 0.249471 0.001076 Sr\n0.761429 0.750529 0.498924 Sr\n0.738571 0.750529 0.998924 Sr\n0.238571 0.249471 0.501076 Sr\n0.915291 0.261130 0.753966 Li\n0.415291 0.738870 0.746034 Li\n0.084709 0.738870 0.246034 Li\n0.584709 0.261130 0.253966 Li\n0.917206 0.243682 0.250351 Al\n0.417206 0.756318 0.249649 Al\n0.082794 0.756318 0.749649 Al\n0.582794 0.243682 0.750351 Al\n0.763547 0.131496 0.355162 F\n0.263547 0.868504 0.144838 F\n0.236453 0.868504 0.644838 F\n0.736453 0.131496 0.855162 F\n0.940483 0.529068 0.354992 F\n0.440483 0.470932 0.145008 F\n0.059517 0.470932 0.645008 F\n0.559517 0.529068 0.854992 F\n0.771758 0.392891 0.152677 F\n0.271758 0.607109 0.347323 F\n0.228242 0.607109 0.847323 F\n0.728242 0.392891 0.652677 F\n0.916196 0.951838 0.150024 F\n0.416196 0.048162 0.349976 F\n0.083804 0.048162 0.849976 F\n0.583804 0.951838 0.650024 F\n0.052126 0.066984 0.352517 F\n0.552126 0.933016 0.147483 F\n0.947874 0.933016 0.647483 F\n0.447874 0.066984 0.852517 F\n0.062810 0.391360 0.149809 F\n0.562810 0.608640 0.350191 F\n0.937190 0.608640 0.850191 F\n0.437190 0.391360 0.649809 F\n",
"nsites": 36,
"nelements": 4,
"elements": [
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"F"
],
"chemical_system": "Al-F-Li-Sr",
"density": 3.274136992753082,
"density_atomic": 0.07534224775156473,
"volume": 477.8195643791679,
"volume_molar": 7.993046318258977,
"formula_full": "Sr4 Li4 Al4 F24",
"formula_reduced": "SrLiAlF6",
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"spacegroup": 14
},
{
"id": "mp-555591",
"created_at": "2022-09-04T14:41:55.982903Z",
"structure_string": "Sr4 Li4 Al4 F24\n1.0\n10.267084 0.000000 0.000000\n0.000000 5.157171 0.000000\n0.000000 0.157789 8.505245\nSr Li Al F\n4 4 4 24\ndirect\n0.314351 0.330399 0.525360 Sr\n0.185649 0.330399 0.025360 Sr\n0.814351 0.669601 0.974640 Sr\n0.685649 0.669601 0.474640 Sr\n0.068643 0.744600 0.332177 Li\n0.431357 0.744600 0.832177 Li\n0.568643 0.255400 0.167823 Li\n0.931357 0.255400 0.667823 Li\n0.097049 0.774378 0.739204 Al\n0.902951 0.225622 0.260796 Al\n0.597049 0.225622 0.760796 Al\n0.402951 0.774378 0.239204 Al\n0.845981 0.917544 0.333099 F\n0.982527 0.524699 0.176110 F\n0.482527 0.475301 0.323890 F\n0.428992 0.105401 0.776179 F\n0.101781 0.640886 0.544927 F\n0.601781 0.359114 0.955073 F\n0.617103 0.119659 0.559459 F\n0.242489 0.605933 0.267656 F\n0.382897 0.880341 0.440541 F\n0.898219 0.359114 0.455073 F\n0.928992 0.894599 0.723821 F\n0.257511 0.605933 0.767656 F\n0.154019 0.082456 0.666901 F\n0.345981 0.082456 0.166901 F\n0.117103 0.880341 0.940541 F\n0.742489 0.394067 0.232344 F\n0.071008 0.105401 0.276179 F\n0.571008 0.894599 0.223821 F\n0.654019 0.917544 0.833099 F\n0.517473 0.524699 0.676110 F\n0.757511 0.394067 0.732344 F\n0.882897 0.119659 0.059459 F\n0.398219 0.640886 0.044927 F\n0.017473 0.475301 0.823890 F\n",
"nsites": 36,
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"elements": [
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],
"chemical_system": "Al-F-Li-Sr",
"density": 3.473883895799458,
"density_atomic": 0.07993868971176304,
"volume": 450.34513487531643,
"volume_molar": 7.533449424445391,
"formula_full": "Sr4 Li4 Al4 F24",
"formula_reduced": "SrLiAlF6",
"formula_anonymous": "ABCD6",
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"updated_at": "2021-11-28T01:35:33.124000Z",
"spacegroup": 14
},
{
"id": "mp-6591",
"created_at": "2022-09-04T14:39:35.895797Z",
"structure_string": "Sr2 Li2 Al2 F12\n1.0\n2.582663 -4.473303 0.000000\n2.582663 4.473303 0.000000\n0.000000 0.000000 10.353331\nSr Li Al F\n2 2 2 12\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.333333 0.666667 0.250000 Li\n0.666667 0.333333 0.750000 Li\n0.666667 0.333333 0.250000 Al\n0.333333 0.666667 0.750000 Al\n0.386488 0.032132 0.148590 F\n0.613512 0.645644 0.648590 F\n0.354356 0.967868 0.648590 F\n0.032132 0.386488 0.648590 F\n0.967868 0.613512 0.351410 F\n0.967868 0.354356 0.148590 F\n0.645644 0.613512 0.148590 F\n0.645644 0.032132 0.351410 F\n0.032132 0.645644 0.851410 F\n0.386488 0.354356 0.351410 F\n0.613512 0.967868 0.851410 F\n0.354356 0.386488 0.851410 F\n",
"nsites": 18,
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"elements": [
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],
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"density": 3.2698258861399845,
"density_atomic": 0.07524304345337979,
"volume": 239.2247731333822,
"volume_molar": 8.003584761601632,
"formula_full": "Sr2 Li2 Al2 F12",
"formula_reduced": "SrLiAlF6",
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"energy": -107.4326507,
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"updated_at": "2021-11-28T01:34:28.332000Z",
"spacegroup": 163
},
{
"id": "mp-1235552",
"created_at": "2022-09-04T14:41:26.714015Z",
"structure_string": "Sr1 Li1 Al1 O3\n1.0\n3.651377 0.593542 -0.055868\n0.544048 5.145309 0.544048\n-0.055868 0.593542 3.651377\nSr Li Al O\n1 1 1 3\ndirect\n0.916969 0.918827 0.916969 Sr\n0.179080 0.329443 0.179080 Li\n0.553169 0.571829 0.553169 Al\n0.595539 0.493536 0.083134 O\n0.405444 0.942831 0.405444 O\n0.083134 0.493536 0.595539 O\n",
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"formula_full": "Sr1 Li1 Al1 O3",
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{
"id": "mp-1235313",
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"structure_string": "Sr1 Li1 Al1 O3\n1.0\n3.691207 0.000000 0.000000\n0.000000 5.011640 0.000000\n0.000000 0.000000 3.691207\nSr Li Al O\n1 1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.000000 Li\n0.500001 0.500001 0.500001 Al\n0.500001 0.500001 0.000000 O\n0.500001 0.000000 0.500001 O\n0.000000 0.500001 0.500001 O\n",
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"formula_full": "Sr1 Li1 Al1 O3",
"formula_reduced": "SrLiAlO3",
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},
{
"id": "mp-1218153",
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"structure_string": "Sr1 Li1 Al1 Sb2\n1.0\n2.300103 -3.983895 0.000000\n2.300103 3.983895 0.000000\n0.000000 0.000000 7.831278\nSr Li Al Sb\n1 1 1 2\ndirect\n0.333333 0.666667 0.026229 Sr\n0.666667 0.333333 0.366661 Li\n0.000000 0.000000 0.603317 Al\n0.000000 0.000000 0.266913 Sb\n0.666667 0.333333 0.736880 Sb\n",
"nsites": 5,
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"formula_full": "Sr1 Li1 Al1 Sb2",
"formula_reduced": "SrLiAlSb2",
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"spacegroup": 156
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{
"id": "mp-1101989",
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"structure_string": "Sr4 Li4 As4\n1.0\n4.541964 0.000000 0.000000\n0.000000 7.662818 0.000000\n0.000000 0.000000 8.082998\nSr Li As\n4 4 4\ndirect\n0.250000 0.007503 0.294652 Sr\n0.250000 0.507503 0.205348 Sr\n0.750000 0.992497 0.705348 Sr\n0.750000 0.492497 0.794652 Sr\n0.250000 0.157480 0.927131 Li\n0.250000 0.657480 0.572869 Li\n0.750000 0.842520 0.072869 Li\n0.750000 0.342520 0.427131 Li\n0.250000 0.275829 0.594005 As\n0.250000 0.775829 0.905995 As\n0.750000 0.724171 0.405995 As\n0.750000 0.224171 0.094005 As\n",
"nsites": 12,
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"elements": [
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"As"
],
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"density": 4.00156187720478,
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"volume": 281.3226305579768,
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"formula_full": "Sr4 Li4 As4",
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"formula_anonymous": "ABC",
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"spacegroup": 62
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{
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{
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},
{
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]
}