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{
"id": "jvasp-56361",
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"structure_string": "Al6 Pt4\n1.0\n2.054021 -3.557669 0.000000\n2.054021 3.557669 -0.000000\n0.000000 0.000000 11.345275\nAl Pt\n6 4\ndirect\n0.333333 0.666667 0.333587 Al\n0.666667 0.333333 0.666413 Al\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.776872 Al\n0.000000 0.000000 0.223128 Al\n0.333333 0.666667 0.589490 Pt\n0.333333 0.666667 0.106830 Pt\n0.666667 0.333333 0.410510 Pt\n0.666667 0.333333 0.893170 Pt\n",
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{
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"structure_string": "Al2 Pt6\n1.0\n0.000000 -0.000000 3.924818\n5.551413 -0.000000 0.000000\n0.000000 5.551413 -0.000000\nAl Pt\n2 6\ndirect\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.251100 0.751100 Pt\n0.000000 0.748900 0.248900 Pt\n0.000000 0.248900 0.251100 Pt\n0.000000 0.751100 0.748900 Pt\n0.500000 0.500000 0.500000 Pt\n0.500000 0.000000 0.000000 Pt\n",
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{
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"structure_string": "Al4 Pt4\n1.0\n4.923696 0.000000 -0.000000\n-0.000000 4.923696 0.000000\n-0.000000 -0.000000 4.923696\nAl Pt\n4 4\ndirect\n0.843317 0.843317 0.843317 Al\n0.656684 0.156684 0.343316 Al\n0.343316 0.656684 0.156684 Al\n0.156684 0.343316 0.656684 Al\n0.158096 0.158096 0.158096 Pt\n0.341905 0.841905 0.658096 Pt\n0.658096 0.341905 0.841905 Pt\n0.841905 0.658096 0.341905 Pt\n",
"nsites": 8,
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"elements": [
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"formula_full": "Al4 Pt4",
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{
"id": "jvasp-98460",
"created_at": "2022-09-04T14:36:11.917019Z",
"updated_at": "2022-09-04T14:36:11.917048Z",
"structure_string": "Al4 Pt8\n1.0\n4.113315 0.000000 0.000000\n0.000000 5.480551 0.000000\n0.000000 0.000000 7.990255\nAl Pt\n4 8\ndirect\n0.749999 0.307171 0.396387 Al\n0.250000 0.692828 0.603612 Al\n0.749999 0.807171 0.103613 Al\n0.250000 0.192828 0.896387 Al\n0.749999 0.957992 0.792856 Pt\n0.250000 0.042008 0.207143 Pt\n0.749999 0.457992 0.707143 Pt\n0.250000 0.542008 0.292856 Pt\n0.749999 0.840484 0.430724 Pt\n0.250000 0.159516 0.569275 Pt\n0.749999 0.340484 0.069275 Pt\n0.250000 0.659516 0.930724 Pt\n",
"nsites": 12,
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"elements": [
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"chemical_system": "Al-Pt",
"density": 15.382397292369284,
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"volume": 180.1261772904767,
"volume_molar": 9.039543285033051,
"formula_full": "Al4 Pt8",
"formula_reduced": "AlPt2",
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"spacegroup": 62
},
{
"id": "jvasp-20179",
"created_at": "2022-09-04T14:37:56.891185Z",
"updated_at": "2022-09-04T14:37:56.891210Z",
"structure_string": "Al12 Re1\n1.0\n6.184212 -0.000000 -2.186450\n-3.092107 5.355685 -2.186450\n-0.000000 -0.000000 6.559348\nAl Re\n12 1\ndirect\n0.496713 0.307465 0.189247 Al\n0.307464 0.810752 0.118218 Al\n0.189246 0.881781 0.692534 Al\n0.692534 0.810752 0.503286 Al\n0.810753 0.118218 0.307465 Al\n0.692534 0.189247 0.881782 Al\n0.810752 0.503286 0.692535 Al\n0.189246 0.496713 0.307465 Al\n0.307465 0.189247 0.496713 Al\n0.118218 0.307465 0.810753 Al\n0.881781 0.692534 0.189246 Al\n0.503286 0.692534 0.810753 Al\n0.000000 0.000000 0.000000 Re\n",
"nsites": 13,
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"elements": [
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"chemical_system": "Al-Re",
"density": 3.8980448086418797,
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"volume": 217.25014118982088,
"volume_molar": 10.063930233653656,
"formula_full": "Al12 Re1",
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{
"id": "jvasp-22742",
"created_at": "2022-09-04T14:37:30.636093Z",
"updated_at": "2022-09-04T14:37:30.636103Z",
"structure_string": "Al12 Re2\n1.0\n5.068797 0.002847 0.000000\n-0.704718 5.019570 -0.000000\n-0.000000 -0.000000 9.112579\nAl Re\n12 2\ndirect\n0.324484 0.675516 0.000000 Al\n0.675516 0.324485 0.500000 Al\n0.675516 0.324485 0.000000 Al\n0.324484 0.675516 0.500000 Al\n0.128725 0.128725 0.601480 Al\n0.871275 0.871276 0.101480 Al\n0.128725 0.128725 0.898520 Al\n0.871275 0.871276 0.398520 Al\n0.390830 0.031069 0.250000 Al\n0.609170 0.968932 0.750000 Al\n0.031069 0.390830 0.250000 Al\n0.968932 0.609171 0.750000 Al\n0.546436 0.546436 0.250000 Re\n0.453564 0.453564 0.750000 Re\n",
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"elements": [
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"formula_full": "Al12 Re2",
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{
"id": "jvasp-16382",
"created_at": "2022-09-04T14:38:31.505756Z",
"updated_at": "2022-09-04T14:38:31.505784Z",
"structure_string": "Al1 Re2\n1.0\n2.882848 -0.000000 -0.841931\n-0.245884 2.872343 -0.841931\n-0.018436 -0.020082 5.293407\nAl Re\n1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.331434 0.331434 0.662867 Re\n0.668567 0.668566 0.337134 Re\n",
"nsites": 3,
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"spacegroup": 139
},
{
"id": "jvasp-14676",
"created_at": "2022-09-04T14:37:04.012480Z",
"updated_at": "2022-09-04T14:37:04.012507Z",
"structure_string": "Al1 Rh1\n1.0\n3.003937 -0.000000 -0.000000\n-0.000000 3.003937 0.000000\n0.000000 0.000000 3.003937\nAl Rh\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500001 0.500001 0.500001 Rh\n",
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"elements": [
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"formula_full": "Al1 Rh1",
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},
{
"id": "jvasp-102272",
"created_at": "2022-09-04T14:36:47.055717Z",
"updated_at": "2022-09-04T14:36:47.055747Z",
"structure_string": "Al2 Rh6\n1.0\n5.444892 -0.000000 0.000000\n-2.722446 4.715415 0.000000\n-0.000000 -0.000000 4.357664\nAl Rh\n2 6\ndirect\n0.333332 0.666666 0.749999 Al\n0.666666 0.333333 0.250000 Al\n0.167475 0.334951 0.250000 Rh\n0.665047 0.832524 0.250000 Rh\n0.167474 0.832524 0.250000 Rh\n0.832523 0.665048 0.749999 Rh\n0.334951 0.167475 0.749999 Rh\n0.832524 0.167475 0.749999 Rh\n",
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{
"id": "jvasp-20197",
"created_at": "2022-09-04T14:37:45.866472Z",
"updated_at": "2022-09-04T14:37:45.866491Z",
"structure_string": "Al20 Rh8\n1.0\n3.985795 -6.903600 -0.000000\n3.985795 6.903600 0.000000\n-0.000000 -0.000000 7.901475\nAl Rh\n20 8\ndirect\n0.000000 0.000000 0.000000 Al\n0.192474 0.384948 0.441374 Al\n0.192475 0.807526 0.441374 Al\n0.615054 0.807527 0.441374 Al\n0.384948 0.192474 0.941374 Al\n0.807526 0.192475 0.558626 Al\n0.807527 0.615054 0.941374 Al\n0.192474 0.384948 0.058626 Al\n0.615054 0.807527 0.058626 Al\n0.384948 0.192474 0.558626 Al\n0.807526 0.192475 0.941374 Al\n0.192475 0.807526 0.058626 Al\n0.807527 0.615054 0.558626 Al\n0.471623 0.528378 0.750000 Al\n0.528378 0.056757 0.250000 Al\n0.943244 0.471623 0.250000 Al\n0.000000 0.000000 0.500000 Al\n0.471623 0.943244 0.750000 Al\n0.528378 0.471623 0.250000 Al\n0.056757 0.528378 0.750000 Al\n0.130678 0.261356 0.750000 Rh\n0.333334 0.666668 0.250000 Rh\n0.666668 0.333334 0.750000 Rh\n0.130678 0.869323 0.750000 Rh\n0.869324 0.738645 0.250000 Rh\n0.261356 0.130678 0.250000 Rh\n0.738645 0.869324 0.750000 Rh\n0.869323 0.130678 0.250000 Rh\n",
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{
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"created_at": "2022-09-04T14:35:47.317996Z",
"updated_at": "2022-09-04T14:35:47.318019Z",
"structure_string": "Al3 Ru2\n1.0\n-2.109304 -3.653428 0.000011\n-2.109309 3.653431 0.000000\n0.000009 0.000006 -5.092772\nAl Ru\n3 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.333332 0.666667 0.646016 Al\n0.666667 0.333333 0.353984 Al\n0.333337 0.666668 0.154955 Ru\n0.666661 0.333331 0.845045 Ru\n",
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{
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"created_at": "2022-09-04T14:36:31.575605Z",
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"structure_string": "Al4 Ru2\n1.0\n4.549190 -0.006421 -1.121635\n-2.625504 3.715090 -1.121635\n0.002053 0.003958 5.020418\nAl Ru\n4 2\ndirect\n0.796264 0.203736 0.750001 Al\n0.453736 0.546265 0.750001 Al\n0.203736 0.796265 0.250001 Al\n0.546265 0.453736 0.250001 Al\n0.125001 0.875001 0.750001 Ru\n0.875000 0.125000 0.250001 Ru\n",
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}