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{
"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",
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{
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"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",
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{
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"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",
"nsites": 8,
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"elements": [
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"chemical_system": "Bi-Sr-Zn",
"density": 7.9248691083645655,
"density_atomic": 0.03343294559142018,
"volume": 239.28492863796663,
"volume_molar": 18.012594025054877,
"formula_full": "Sr2 Zn2 Bi4",
"formula_reduced": "SrZnBi2",
"formula_anonymous": "ABC2",
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"spacegroup": 139
},
{
"id": "jvasp-90847",
"created_at": "2022-09-04T14:35:46.418582Z",
"updated_at": "2022-09-04T14:35:46.418603Z",
"structure_string": "Sr2 Zn2 As2 F2\n1.0\n4.128799 0.000000 0.000000\n-0.000000 4.128799 0.000000\n-0.000000 -0.000000 9.111187\nSr Zn As F\n2 2 2 2\ndirect\n0.750000 0.750000 0.846135 Sr\n0.250000 0.250000 0.153865 Sr\n0.250000 0.750000 0.500000 Zn\n0.750000 0.250000 0.500000 Zn\n0.750000 0.750000 0.327560 As\n0.250000 0.250000 0.672441 As\n0.250000 0.750000 0.000000 F\n0.750000 0.250000 0.000000 F\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "As-F-Sr-Zn",
"density": 5.280364815613863,
"density_atomic": 0.05150715294689996,
"volume": 155.3182333383366,
"volume_molar": 11.691853296974847,
"formula_full": "Sr2 Zn2 As2 F2",
"formula_reduced": "SrZnAsF",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-8141",
"created_at": "2022-09-04T14:36:35.211260Z",
"updated_at": "2022-09-04T14:36:35.211285Z",
"structure_string": "Sr1 Zn2 As2\n1.0\n2.128362 -3.686430 0.000000\n2.128362 3.686430 -0.000000\n0.000000 -0.000000 7.274554\nSr Zn As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.368897 Zn\n0.333333 0.666667 0.631102 Zn\n0.666667 0.333333 0.731204 As\n0.333333 0.666667 0.268796 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Zn",
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],
"chemical_system": "As-Sr-Zn",
"density": 5.357236156317469,
"density_atomic": 0.04380081067001822,
"volume": 114.15313834413833,
"volume_molar": 13.748925346083087,
"formula_full": "Sr1 Zn2 As2",
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"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0535681219999997,
"spacegroup": 164
},
{
"id": "jvasp-86312",
"created_at": "2022-09-04T14:36:16.165331Z",
"updated_at": "2022-09-04T14:36:16.165348Z",
"structure_string": "Sr1 Zn5\n1.0\n5.557717 0.000000 0.000000\n-2.778858 4.813124 0.000000\n0.000000 -0.000000 4.260156\nSr Zn\n1 5\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.500000 Zn\n-0.000000 0.500000 0.500000 Zn\n0.333333 0.666666 0.000000 Zn\n",
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"elements": [
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"density": 6.042233380568225,
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"volume": 113.95909238893626,
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"formula_full": "Sr1 Zn5",
"formula_reduced": "SrZn5",
"formula_anonymous": "AB5",
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"spacegroup": 191
},
{
"id": "jvasp-86932",
"created_at": "2022-09-04T14:35:48.112659Z",
"updated_at": "2022-09-04T14:35:48.112685Z",
"structure_string": "Sr1 Zn5\n1.0\n5.557717 0.000000 0.000000\n-2.778858 4.813124 -0.000000\n0.000000 0.000000 4.260156\nSr Zn\n1 5\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.500000 Zn\n-0.000000 0.500000 0.500000 Zn\n0.333333 0.666666 0.000000 Zn\n",
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"elements": [
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"volume": 113.95909238893626,
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"formula_full": "Sr1 Zn5",
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"spacegroup": 191
},
{
"id": "jvasp-88948",
"created_at": "2022-09-04T14:35:47.758960Z",
"updated_at": "2022-09-04T14:35:47.758989Z",
"structure_string": "Sr4 Zn8\n1.0\n5.884231 -0.000000 0.000000\n-2.942115 5.095893 -0.000000\n0.000000 -0.000000 9.062316\nSr Zn\n4 8\ndirect\n0.333332 0.666667 0.446108 Sr\n0.666667 0.333333 0.946108 Sr\n0.666667 0.333333 0.553893 Sr\n0.333332 0.666667 0.053892 Sr\n0.159319 0.318638 0.750000 Zn\n0.840681 0.159319 0.250000 Zn\n0.318638 0.159319 0.250000 Zn\n0.681361 0.840680 0.750000 Zn\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.840680 0.681362 0.250000 Zn\n0.159318 0.840680 0.750000 Zn\n",
"nsites": 12,
"nelements": 2,
"elements": [
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"chemical_system": "Sr-Zn",
"density": 5.33934599382888,
"density_atomic": 0.04416030153035384,
"volume": 271.73727497652453,
"volume_molar": 13.637000997062136,
"formula_full": "Sr4 Zn8",
"formula_reduced": "SrZn2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1904861904761905,
"spacegroup": 194
},
{
"id": "jvasp-56213",
"created_at": "2022-09-04T14:37:29.751803Z",
"updated_at": "2022-09-04T14:37:29.751827Z",
"structure_string": "Sr2 Zn4\n1.0\n4.350909 0.000000 1.883170\n2.164397 5.505061 0.967131\n-0.011249 0.010210 5.993783\nSr Zn\n2 4\ndirect\n0.953411 0.796590 0.296589 Sr\n0.046590 0.203410 0.703410 Sr\n0.334971 0.224866 0.105193 Zn\n0.665030 0.775134 0.894806 Zn\n0.334971 0.605193 0.724866 Zn\n0.665030 0.394807 0.275134 Zn\n",
"nsites": 6,
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"volume": 143.67847756644738,
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"formula_full": "Sr2 Zn4",
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"spacegroup": 74
},
{
"id": "jvasp-90471",
"created_at": "2022-09-04T14:35:54.600377Z",
"updated_at": "2022-09-04T14:35:54.600397Z",
"structure_string": "Sr4 Zn4\n1.0\n4.681224 0.000000 0.000000\n-0.000000 6.266820 0.000000\n0.000000 0.000000 8.448737\nSr Zn\n4 4\ndirect\n0.250000 0.379403 0.679549 Sr\n0.749999 0.620597 0.320452 Sr\n0.749999 0.879403 0.820452 Sr\n0.250000 0.120597 0.179548 Sr\n0.250000 0.892113 0.529343 Zn\n0.749999 0.107887 0.470658 Zn\n0.749999 0.392113 0.970658 Zn\n0.250000 0.607887 0.029343 Zn\n",
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},
{
"id": "jvasp-13307",
"created_at": "2022-09-04T14:37:06.643400Z",
"updated_at": "2022-09-04T14:37:06.643421Z",
"structure_string": "Sr2 Y4 S8\n1.0\n7.361283 -0.015446 0.000000\n-2.468324 6.935135 -0.000000\n-2.446479 -3.459843 6.019381\nSr Y S\n2 4 8\ndirect\n0.625000 0.375000 0.250000 Sr\n0.875000 0.125000 0.750000 Sr\n0.128591 0.750001 0.878591 Y\n0.250000 0.628591 0.378591 Y\n0.371409 0.250000 0.621409 Y\n0.750000 0.871409 0.121409 Y\n0.487494 0.983920 0.849718 S\n0.137775 0.134201 0.150282 S\n0.362225 0.512507 0.996426 S\n0.634201 0.637775 0.650281 S\n0.483920 0.987494 0.349718 S\n0.012508 0.862226 0.496426 S\n0.865799 0.516080 0.003574 S\n0.016081 0.365800 0.503574 S\n",
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"density": 4.257940040774145,
"density_atomic": 0.04559237595669489,
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"formula_anonymous": "AB2C4",
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},
{
"id": "jvasp-95373",
"created_at": "2022-09-04T14:36:09.018010Z",
"updated_at": "2022-09-04T14:36:09.018038Z",
"structure_string": "Sr4 Y8 S16\n1.0\n3.987291 0.000000 0.000000\n-0.000000 11.978445 0.000000\n0.000000 0.000000 14.332949\nSr Y S\n4 8 16\ndirect\n0.750000 0.742659 0.838059 Sr\n0.250000 0.257341 0.161941 Sr\n0.750000 0.242659 0.661941 Sr\n0.250000 0.757341 0.338059 Sr\n0.750000 0.580628 0.100815 Y\n0.750000 0.080628 0.399185 Y\n0.250000 0.919372 0.600815 Y\n0.750000 0.068898 0.890245 Y\n0.250000 0.931103 0.109756 Y\n0.750000 0.568898 0.609756 Y\n0.250000 0.431102 0.390244 Y\n0.250000 0.419372 0.899185 Y\n0.250000 0.521836 0.216074 S\n0.750000 0.478164 0.783926 S\n0.250000 0.631259 0.973307 S\n0.250000 0.914075 0.920988 S\n0.750000 0.085925 0.079012 S\n0.250000 0.414075 0.579012 S\n0.750000 0.585925 0.420988 S\n0.250000 0.207914 0.824743 S\n0.750000 0.792086 0.175257 S\n0.250000 0.707915 0.675257 S\n0.750000 0.292086 0.324743 S\n0.750000 0.868741 0.473307 S\n0.250000 0.131259 0.526693 S\n0.750000 0.368741 0.026693 S\n0.750000 0.978164 0.716074 S\n0.250000 0.021836 0.283926 S\n",
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"formula_anonymous": "AB2C4",
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"spacegroup": 62
}
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}