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{
"id": "jvasp-120190",
"created_at": "2022-09-04T14:38:52.359435Z",
"updated_at": "2022-09-04T14:38:52.359449Z",
"structure_string": "Sr1 Zn1 F1\n1.0\n4.166366 -0.112073 0.000000\n0.161750 5.910687 0.000000\n0.000000 0.000000 3.834845\nSr Zn F\n1 1 1\ndirect\n0.420094 -0.011687 0.000000 Sr\n-0.080277 0.422867 0.000000 Zn\n-0.079769 -0.188047 0.000000 F\n",
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{
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"structure_string": "Sr2 Zn2 F8\n1.0\n5.057605 0.000001 -2.140619\n-0.906013 4.975792 -2.140618\n-0.002590 -0.003105 7.038950\nSr Zn F\n2 2 8\ndirect\n0.375000 0.124999 0.750000 Sr\n0.625000 0.874999 0.249999 Sr\n0.874999 0.624999 0.749999 Zn\n0.125000 0.375000 0.250000 Zn\n0.296006 0.453521 0.079865 F\n0.626343 0.796005 0.579864 F\n0.953521 0.283858 0.579864 F\n0.783858 0.126343 0.079864 F\n0.216142 0.873656 0.920135 F\n0.046478 0.716141 0.420135 F\n0.373657 0.203993 0.420135 F\n0.703993 0.546477 0.920134 F\n",
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{
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"updated_at": "2022-09-04T14:36:53.410593Z",
"structure_string": "Sr4 Zn3 F14\n1.0\n6.834331 -0.000000 0.000934\n3.417166 5.918062 0.000467\n-0.001520 -0.000000 7.147279\nSr Zn F\n4 3 14\ndirect\n0.005581 0.000000 0.469486 Sr\n0.338895 0.333333 0.231749 Sr\n0.672229 0.666666 0.231749 Sr\n0.005561 0.000000 0.994016 Sr\n0.464210 0.541350 0.731754 Zn\n0.005560 0.458650 0.731754 Zn\n0.546930 0.000000 0.731748 Zn\n0.765262 0.240249 0.731749 F\n0.005514 0.390268 0.001398 F\n0.395782 0.609732 0.001398 F\n0.245849 0.000000 0.731760 F\n0.738801 0.266744 0.231763 F\n0.005545 0.733256 0.231764 F\n0.005511 0.759751 0.731750 F\n0.615292 0.000000 0.462103 F\n0.672224 0.666645 0.731758 F\n0.338869 0.333355 0.731758 F\n0.005569 0.390222 0.462110 F\n0.395792 0.609778 0.462110 F\n0.272316 0.000000 0.231722 F\n0.615313 0.000000 0.001396 F\n",
"nsites": 21,
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"elements": [
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"density": 4.6682583646792395,
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"volume": 289.0788161441166,
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"formula_full": "Sr4 Zn3 F14",
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"formula_anonymous": "A3B4C14",
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"spacegroup": 189
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{
"id": "jvasp-118350",
"created_at": "2022-09-04T14:38:49.969251Z",
"updated_at": "2022-09-04T14:38:49.969273Z",
"structure_string": "Sr1 Zn1 F1\n1.0\n5.011884 -0.000000 0.000000\n-2.505942 4.340419 -0.000000\n0.000000 -0.000000 3.683503\nSr Zn F\n1 1 1\ndirect\n0.333334 0.666667 0.000000 Sr\n0.666667 0.333334 0.000000 Zn\n0.000000 0.000000 0.000000 F\n",
"nsites": 3,
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"elements": [
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"density": 3.564946663108236,
"density_atomic": 0.0374392862099819,
"volume": 80.12973279389479,
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"formula_full": "Sr1 Zn1 F1",
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"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"id": "jvasp-120192",
"created_at": "2022-09-04T14:38:45.159648Z",
"updated_at": "2022-09-04T14:38:45.159674Z",
"structure_string": "Sr1 Zn1 F1\n1.0\n4.033651 0.000000 0.000000\n0.000000 4.033651 0.000000\n-0.000000 0.000000 7.523489\nSr Zn F\n1 1 1\ndirect\n0.000000 0.000000 0.270032 Sr\n0.000000 0.000000 0.702056 Zn\n0.000000 0.000000 -0.025989 F\n",
"nsites": 3,
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"density_atomic": 0.02450785631808308,
"volume": 122.40972694892352,
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"formula_full": "Sr1 Zn1 F1",
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"formula_anonymous": "ABC",
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"spacegroup": 99
},
{
"id": "jvasp-13427",
"created_at": "2022-09-04T14:37:05.881609Z",
"updated_at": "2022-09-04T14:37:05.881631Z",
"structure_string": "Sr4 Zn3 F14\n1.0\n6.834331 -0.000000 0.000933\n3.417166 5.918015 0.000467\n-0.001520 -0.000000 7.147279\nSr Zn F\n4 3 14\ndirect\n0.005581 0.000000 0.469486 Sr\n0.338895 0.333333 0.231749 Sr\n0.672229 0.666666 0.231749 Sr\n0.005561 0.000000 0.994016 Sr\n0.464210 0.541350 0.731754 Zn\n0.005560 0.458649 0.731754 Zn\n0.546930 0.000000 0.731748 Zn\n0.765262 0.240249 0.731749 F\n0.005514 0.390268 0.001398 F\n0.395782 0.609732 0.001398 F\n0.245849 0.000000 0.731760 F\n0.738801 0.266744 0.231763 F\n0.005545 0.733255 0.231764 F\n0.005511 0.759750 0.731750 F\n0.615292 0.000000 0.462103 F\n0.672225 0.666644 0.731758 F\n0.338869 0.333355 0.731758 F\n0.005569 0.390222 0.462110 F\n0.395792 0.609777 0.462110 F\n0.272316 0.000000 0.231722 F\n0.615313 0.000000 0.001396 F\n",
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"elements": [
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"density": 4.668295439442117,
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"volume": 289.07652033214407,
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"formula_full": "Sr4 Zn3 F14",
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"formula_anonymous": "A3B4C14",
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"spacegroup": 189
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{
"id": "jvasp-12478",
"created_at": "2022-09-04T14:38:06.590511Z",
"updated_at": "2022-09-04T14:38:06.590521Z",
"structure_string": "Sr2 Zn2 Cl8\n1.0\n6.020087 -0.000001 -2.482326\n-1.023564 5.932433 -2.482327\n-0.003062 -0.003635 8.533630\nSr Zn Cl\n2 2 8\ndirect\n0.875001 0.625000 0.750000 Sr\n0.125000 0.375000 0.250000 Sr\n0.625001 0.875000 0.250000 Zn\n0.375001 0.125001 0.750000 Zn\n0.716837 0.364858 0.914685 Cl\n0.864858 0.697849 0.414685 Cl\n0.283165 0.635143 0.085315 Cl\n0.450174 0.783165 0.585315 Cl\n0.549828 0.216836 0.414685 Cl\n0.802153 0.950173 0.085315 Cl\n0.135143 0.302152 0.585315 Cl\n0.197849 0.049828 0.914685 Cl\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Zn",
"Cl"
],
"chemical_system": "Cl-Sr-Zn",
"density": 3.2140484129593583,
"density_atomic": 0.039388250532967996,
"volume": 304.6593803387127,
"volume_molar": 15.289180602117538,
"formula_full": "Sr2 Zn2 Cl8",
"formula_reduced": "SrZnCl4",
"formula_anonymous": "ABC4",
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"spacegroup": 88
},
{
"id": "jvasp-81355",
"created_at": "2022-09-04T14:37:18.030570Z",
"updated_at": "2022-09-04T14:37:18.030590Z",
"structure_string": "Sr2 Zn1 Cd1\n1.0\n-12.533758 4.260025 -0.279781\n-9.678390 2.416376 3.001934\n-8.337829 6.208048 0.680018\nSr Zn Cd\n2 1 1\ndirect\n0.730847 0.015229 0.015228 Sr\n0.269154 -0.015228 -0.015229 Sr\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 -0.000001 Cd\n",
"nsites": 4,
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"elements": [
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"density": 4.027415126266989,
"density_atomic": 0.027478231232894727,
"volume": 145.56977725740666,
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"formula_full": "Sr2 Zn1 Cd1",
"formula_reduced": "Sr2ZnCd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0832285877272728,
"spacegroup": 166
},
{
"id": "jvasp-99613",
"created_at": "2022-09-04T14:36:21.069891Z",
"updated_at": "2022-09-04T14:36:21.069901Z",
"structure_string": "Sr2 Zn3 Cd1\n1.0\n4.677153 0.043537 3.883742\n2.149693 4.154091 3.883742\n0.006207 0.003816 7.834907\nSr Zn Cd\n2 3 1\ndirect\n0.452803 0.452805 0.795465 Sr\n0.546390 0.546391 0.203109 Sr\n0.175845 0.175845 0.389169 Zn\n0.153380 0.153380 0.788869 Zn\n0.835394 0.835396 0.217643 Zn\n0.836185 0.836187 0.605745 Cd\n",
"nsites": 6,
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],
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"volume": 151.35708217816244,
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"formula_full": "Sr2 Zn3 Cd1",
"formula_reduced": "Sr2Zn3Cd",
"formula_anonymous": "AB2C3",
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"spacegroup": 8
},
{
"id": "jvasp-101115",
"created_at": "2022-09-04T14:36:58.816296Z",
"updated_at": "2022-09-04T14:36:58.816327Z",
"structure_string": "Sr5 Zn1 Cd4\n1.0\n3.986586 -0.000000 0.000000\n0.000000 3.986586 0.000000\n-0.000000 -0.000000 20.005657\nSr Zn Cd\n5 1 4\ndirect\n0.500001 0.500001 0.094736 Sr\n0.500001 0.500001 0.297560 Sr\n0.500001 0.500001 0.500000 Sr\n0.500001 0.500001 0.702440 Sr\n0.500001 0.500001 0.905264 Sr\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.196536 Cd\n0.000000 0.000000 0.398700 Cd\n0.000000 0.000000 0.601301 Cd\n0.000000 0.000000 0.803464 Cd\n",
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"volume": 317.9472646618305,
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"formula_full": "Sr5 Zn1 Cd4",
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"formula_anonymous": "AB4C5",
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},
{
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"created_at": "2022-09-04T14:35:46.951437Z",
"updated_at": "2022-09-04T14:35:46.951455Z",
"structure_string": "Sr2 Zn1 Bi2\n1.0\n4.802988 0.000000 -0.000000\n-2.401494 4.159508 0.000000\n0.000000 -0.000000 8.709616\nSr Zn Bi\n2 1 2\ndirect\n0.666668 0.333333 0.721023 Sr\n0.666668 0.333333 0.278978 Sr\n0.333334 0.666667 0.000000 Zn\n0.333334 0.666667 0.500000 Bi\n0.000000 0.000000 0.000000 Bi\n",
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},
{
"id": "jvasp-91850",
"created_at": "2022-09-04T14:37:40.691744Z",
"updated_at": "2022-09-04T14:37:40.691766Z",
"structure_string": "Sr2 Zn2 Bi4\n1.0\n4.556130 -0.000000 -0.941884\n-0.194715 4.551967 -0.941884\n0.008959 0.009351 11.533854\nSr Zn Bi\n2 2 4\ndirect\n0.877312 0.877313 0.754626 Sr\n0.122687 0.122687 0.245374 Sr\n0.249999 0.750000 0.500000 Zn\n0.750000 0.250000 0.500000 Zn\n0.330023 0.330023 0.660048 Bi\n0.669976 0.669977 0.339953 Bi\n0.500000 -0.000000 0.000000 Bi\n-0.000001 0.500000 0.000000 Bi\n",
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"formula_full": "Sr2 Zn2 Bi4",
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}
]
}