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{
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{
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{
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"structure_string": "Al2 Ru1\n1.0\n3.159781 0.000000 0.000000\n0.000000 3.159781 0.000000\n-1.579891 -1.579891 4.236208\nAl Ru\n2 1\ndirect\n0.659127 0.659127 0.318253 Al\n0.340873 0.340873 0.681747 Al\n0.000000 0.000000 0.000000 Ru\n",
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{
"id": "jvasp-40239",
"created_at": "2022-09-04T14:37:50.213258Z",
"updated_at": "2022-09-04T14:37:50.213277Z",
"structure_string": "Al2 Ru1 Pt1\n1.0\n-0.000000 3.030741 3.030741\n3.030741 -0.000000 3.030741\n3.030741 3.030741 0.000000\nAl Ru Pt\n2 1 1\ndirect\n0.500001 0.500001 0.500001 Al\n0.000000 0.000000 0.000000 Al\n0.749999 0.749999 0.749999 Ru\n0.250000 0.250000 0.250000 Pt\n",
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"density": 10.44205373069693,
"density_atomic": 0.07184284515839234,
"volume": 55.67708226450632,
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"formula_full": "Al2 Ru1 Pt1",
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{
"id": "jvasp-40420",
"created_at": "2022-09-04T14:37:50.517202Z",
"updated_at": "2022-09-04T14:37:50.517224Z",
"structure_string": "Al2 Ru1 Rh1\n1.0\n0.000000 3.001168 3.001168\n3.001168 -0.000000 3.001168\n3.001168 3.001168 -0.000000\nAl Ru Rh\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.750000 0.750000 0.750000 Ru\n0.250000 0.250000 0.250000 Rh\n",
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{
"id": "jvasp-113687",
"created_at": "2022-09-04T14:38:46.811070Z",
"updated_at": "2022-09-04T14:38:46.811094Z",
"structure_string": "Al2 S1 O2\n1.0\n3.094106 0.000000 0.000000\n-1.547053 2.679575 0.000000\n-0.000000 -0.000000 6.946680\nAl S O\n2 1 2\ndirect\n0.666669 0.333333 0.251778 Al\n0.333335 0.666666 0.748222 Al\n0.000000 0.000000 0.000000 S\n0.333335 0.666666 0.337958 O\n0.666669 0.333333 0.662042 O\n",
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{
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"updated_at": "2022-09-04T14:38:29.080796Z",
"structure_string": "Al2 S2 Cl14\n1.0\n0.000000 6.577717 -0.111652\n6.256506 0.000000 0.000000\n0.000000 -2.806451 -11.883786\nAl S Cl\n2 2 14\ndirect\n0.540727 0.495698 0.145811 Al\n0.540727 0.504303 0.645811 Al\n0.882893 0.084938 0.305726 S\n0.882893 0.915062 0.805726 S\n0.815606 0.879244 0.421703 Cl\n0.517631 0.623673 0.809006 Cl\n0.852693 0.575638 0.623373 Cl\n0.502462 0.838273 0.136314 Cl\n0.852693 0.424362 0.123373 Cl\n0.502462 0.161728 0.636314 Cl\n0.106791 0.926392 0.245483 Cl\n0.517631 0.376328 0.309006 Cl\n0.057856 0.305321 0.405952 Cl\n0.315045 0.336795 0.018734 Cl\n0.815606 0.120757 0.921703 Cl\n0.057856 0.694679 0.905952 Cl\n0.315045 0.663206 0.518734 Cl\n0.106792 0.073609 0.745484 Cl\n",
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"formula_full": "Al2 S2 Cl14",
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"spacegroup": 7
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{
"id": "jvasp-25872",
"created_at": "2022-09-04T14:38:15.664449Z",
"updated_at": "2022-09-04T14:38:15.664471Z",
"structure_string": "Al2 S2 Cl6 O4\n1.0\n6.127764 0.082250 0.044033\n-2.417242 6.812268 -0.116792\n-2.086350 -1.370545 7.341605\nAl S Cl O\n2 2 6 4\ndirect\n0.720386 0.199516 0.844922 Al\n0.279614 0.800484 0.155079 Al\n0.376835 0.748238 0.760836 S\n0.623165 0.251761 0.239164 S\n0.900189 0.722811 0.088615 Cl\n0.063433 0.801359 0.618696 Cl\n0.099810 0.277188 0.911385 Cl\n0.444017 0.657290 0.346931 Cl\n0.936567 0.198640 0.381305 Cl\n0.555983 0.342709 0.653069 Cl\n0.581431 0.932478 0.758601 O\n0.633363 0.231057 0.046223 O\n0.366637 0.768943 0.953778 O\n0.418569 0.067522 0.241400 O\n",
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"formula_full": "Al2 S2 Cl6 O4",
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{
"id": "jvasp-113685",
"created_at": "2022-09-04T14:38:48.297888Z",
"updated_at": "2022-09-04T14:38:48.297919Z",
"structure_string": "Al2 S2 O2\n1.0\n3.710890 0.000000 0.000000\n0.000000 3.710890 -0.000000\n-0.000000 -0.000000 5.589364\nAl S O\n2 2 2\ndirect\n0.500000 0.000000 0.883942 Al\n0.000000 0.500000 0.116058 Al\n0.000000 0.500000 0.511230 S\n0.500000 0.000000 0.488770 S\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n",
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},
{
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"updated_at": "2022-09-04T14:37:28.914186Z",
"structure_string": "Al2 Sb2\n1.0\n2.193487 -3.799230 -0.000000\n2.193487 3.799230 0.000000\n0.000000 -0.000000 7.238138\nAl Sb\n2 2\ndirect\n0.666668 0.333334 0.499248 Al\n0.333334 0.666668 -0.000752 Al\n0.666668 0.333334 0.125652 Sb\n0.333334 0.666668 0.625653 Sb\n",
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{
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"created_at": "2022-09-04T14:38:07.405105Z",
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"structure_string": "Al2 Sb2\n1.0\n2.809034 3.312357 0.003599\n-2.809034 3.312357 0.003599\n0.000000 -0.006600 5.342379\nAl Sb\n2 2\ndirect\n0.371404 0.371404 0.750023 Al\n0.628597 0.628597 0.249977 Al\n0.793464 0.793464 0.749999 Sb\n0.206537 0.206537 0.250002 Sb\n",
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{
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"created_at": "2022-09-04T14:38:10.624996Z",
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"structure_string": "Al2 Sb2 I12\n1.0\n6.896856 0.057715 2.377134\n2.925097 9.655246 1.807437\n0.096631 -0.023674 10.248752\nAl Sb I\n2 2 12\ndirect\n0.374415 0.795783 0.795782 Al\n0.625585 0.204218 0.204217 Al\n-0.000000 0.200494 0.799506 Sb\n0.000000 0.799507 0.200494 Sb\n0.066792 0.783285 0.454439 I\n0.933209 0.545561 0.216715 I\n0.933209 0.216715 0.545561 I\n0.066791 0.454439 0.783285 I\n0.533809 0.971638 0.290618 I\n0.466192 0.709382 0.028362 I\n0.466192 0.028362 0.709382 I\n0.533808 0.290618 0.971638 I\n0.018591 0.145055 0.145055 I\n0.981410 0.854945 0.854944 I\n0.442079 0.380140 0.380140 I\n0.557922 0.619860 0.619859 I\n",
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}