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"results": [
{
"id": "jvasp-63069",
"created_at": "2022-09-04T14:35:50.931721Z",
"updated_at": "2022-09-04T14:35:50.931748Z",
"structure_string": "Pu1 B2 Rh3\n1.0\n4.876057 2.815196 -0.019390\n-4.876057 2.815196 -0.019390\n0.000000 0.019662 2.852798\nPu B Rh\n1 2 3\ndirect\n0.500001 0.500001 0.500001 Pu\n0.166671 0.833330 0.500001 B\n0.833330 0.166671 0.500001 B\n0.000000 0.000000 0.000000 Rh\n0.000000 0.500001 0.000000 Rh\n0.500001 0.000000 0.000000 Rh\n",
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{
"id": "jvasp-93848",
"created_at": "2022-09-04T14:36:20.241010Z",
"updated_at": "2022-09-04T14:36:20.241027Z",
"structure_string": "Pu1 B2 Os3\n1.0\n-0.000164 -0.000095 2.933162\n5.591050 -0.000031 0.000456\n-2.795552 4.842038 0.000000\nPu B Os\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Pu\n-0.000003 0.333339 0.666670 B\n0.000005 0.666662 0.333331 B\n0.500000 0.500000 0.500000 Os\n0.500000 0.000000 0.500000 Os\n0.500000 0.500000 -0.000000 Os\n",
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{
"id": "jvasp-63365",
"created_at": "2022-09-04T14:36:06.554069Z",
"updated_at": "2022-09-04T14:36:06.554097Z",
"structure_string": "Pu4 B16 Os4\n1.0\n3.574163 0.000000 0.000000\n0.000000 5.999800 0.000000\n0.000000 0.000000 11.616958\nPu B Os\n4 16 4\ndirect\n0.000000 0.127342 0.850179 Pu\n0.000000 0.872658 0.149821 Pu\n0.000000 0.372658 0.350179 Pu\n0.000000 0.627342 0.649822 Pu\n0.500000 0.971436 0.691451 B\n0.500000 0.028564 0.308549 B\n0.500000 0.528564 0.191451 B\n0.500000 0.471436 0.808549 B\n0.500000 0.886323 0.546605 B\n0.500000 0.113677 0.453395 B\n0.500000 0.613677 0.046605 B\n0.500000 0.386323 0.953395 B\n0.500000 0.864731 0.969227 B\n0.500000 0.135269 0.030773 B\n0.500000 0.635269 0.469227 B\n0.500000 0.364731 0.530774 B\n0.500000 0.787495 0.813088 B\n0.500000 0.212505 0.186912 B\n0.500000 0.712505 0.313088 B\n0.500000 0.287495 0.686912 B\n0.000000 0.139243 0.593275 Os\n0.000000 0.860757 0.406725 Os\n0.000000 0.360757 0.093275 Os\n0.000000 0.639243 0.906725 Os\n",
"nsites": 24,
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"elements": [
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"chemical_system": "B-Os-Pu",
"density": 12.730787501675117,
"density_atomic": 0.09634023341237087,
"volume": 249.11710455663277,
"volume_molar": 6.250909455682,
"formula_full": "Pu4 B16 Os4",
"formula_reduced": "PuB4Os",
"formula_anonymous": "ABC4",
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"spacegroup": 55
},
{
"id": "jvasp-112523",
"created_at": "2022-09-04T14:38:42.039671Z",
"updated_at": "2022-09-04T14:38:42.039689Z",
"structure_string": "Pu4 B8 Os4\n1.0\n5.355933 0.000000 0.000000\n0.000000 5.791352 0.000000\n-0.000000 0.000000 6.468314\nPu B Os\n4 8 4\ndirect\n0.750000 0.498743 0.163245 Pu\n0.750000 0.998743 0.336754 Pu\n0.250000 0.501257 0.836754 Pu\n0.250000 0.001257 0.663245 Pu\n0.914692 0.132557 0.964256 B\n0.585307 0.632556 0.535743 B\n0.414693 0.867443 0.035743 B\n0.085307 0.367443 0.464256 B\n0.085307 0.867443 0.035743 B\n0.414693 0.367443 0.464256 B\n0.585307 0.132557 0.964256 B\n0.914692 0.632556 0.535743 B\n0.750000 0.311084 0.686748 Os\n0.750000 0.811083 0.813251 Os\n0.250000 0.688916 0.313251 Os\n0.250000 0.188916 0.186749 Os\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"chemical_system": "B-Os-Pu",
"density": 15.091303776828251,
"density_atomic": 0.07974689647287823,
"volume": 200.6347670901722,
"volume_molar": 7.551567554792704,
"formula_full": "Pu4 B8 Os4",
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"formula_anonymous": "ABC2",
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"spacegroup": 62
},
{
"id": "jvasp-63419",
"created_at": "2022-09-04T14:35:41.539432Z",
"updated_at": "2022-09-04T14:35:41.539463Z",
"structure_string": "Pu4 B16 Mo4\n1.0\n3.658247 0.000000 0.000000\n0.000000 6.012767 0.000000\n0.000000 0.000000 11.636305\nPu B Mo\n4 16 4\ndirect\n0.000000 0.125800 0.849388 Pu\n0.000000 0.874201 0.150612 Pu\n0.000000 0.374201 0.349388 Pu\n0.000000 0.625800 0.650612 Pu\n0.500000 0.974426 0.692944 B\n0.500000 0.025575 0.307057 B\n0.500000 0.525575 0.192943 B\n0.500000 0.474426 0.807057 B\n0.500000 0.884949 0.547314 B\n0.500000 0.115052 0.452687 B\n0.500000 0.615052 0.047314 B\n0.500000 0.384948 0.952687 B\n0.500000 0.866353 0.967991 B\n0.500000 0.133648 0.032010 B\n0.500000 0.633648 0.467990 B\n0.500000 0.366352 0.532010 B\n0.500000 0.787450 0.813347 B\n0.500000 0.212550 0.186653 B\n0.500000 0.712551 0.313347 B\n0.500000 0.287450 0.686653 B\n0.000000 0.131467 0.585769 Mo\n0.000000 0.868534 0.414232 Mo\n0.000000 0.368534 0.085769 Mo\n0.000000 0.631467 0.914232 Mo\n",
"nsites": 24,
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"elements": [
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"density": 9.943836145596661,
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"formula_full": "Pu4 B16 Mo4",
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"formula_anonymous": "ABC4",
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"spacegroup": 55
},
{
"id": "jvasp-93343",
"created_at": "2022-09-04T14:35:51.186372Z",
"updated_at": "2022-09-04T14:35:51.186392Z",
"structure_string": "Pu1 B2 Ir3\n1.0\n-0.027020 0.000000 -3.099941\n-2.744741 -4.754182 0.023843\n-2.744741 4.754182 0.023843\nPu B Ir\n1 2 3\ndirect\n0.500001 0.500000 0.500000 Pu\n0.500001 0.833326 0.166674 B\n0.500001 0.166674 0.833326 B\n0.000000 0.000000 0.000000 Ir\n0.000000 -0.000000 0.500000 Ir\n0.000000 0.500000 -0.000000 Ir\n",
"nsites": 6,
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"elements": [
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"density": 17.286556802376648,
"density_atomic": 0.07415795948982559,
"volume": 80.90837505882554,
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"formula_full": "Pu1 B2 Ir3",
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"formula_anonymous": "AB2C3",
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"spacegroup": 191
},
{
"id": "jvasp-90015",
"created_at": "2022-09-04T14:35:50.166614Z",
"updated_at": "2022-09-04T14:35:50.166650Z",
"structure_string": "Pu3 Al3 Ni3\n1.0\n0.000000 0.000000 -4.593435\n-3.339806 -5.784714 0.000000\n-2.490196 5.294191 0.000000\nPu Al Ni\n3 3 3\ndirect\n0.499999 0.604059 0.000001 Pu\n0.499999 0.428355 0.515058 Pu\n0.499999 0.913298 0.484944 Pu\n0.000000 0.231203 1.000001 Al\n0.000000 0.752347 0.731363 Al\n0.000000 0.020984 0.268639 Al\n0.000000 0.371654 0.716104 Ni\n0.000000 0.655551 0.283898 Ni\n0.499999 0.022457 1.000001 Ni\n",
"nsites": 9,
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"density": 11.142802552476882,
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"volume": 147.38790683387873,
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"formula_full": "Pu3 Al3 Ni3",
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"formula_anonymous": "ABC",
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"spacegroup": 38
},
{
"id": "jvasp-102689",
"created_at": "2022-09-04T14:36:40.303212Z",
"updated_at": "2022-09-04T14:36:40.303247Z",
"structure_string": "Pt1 Se1 S1\n1.0\n3.697735 0.000000 0.000000\n-1.848867 3.202333 0.000000\n0.000000 0.000000 5.064811\nPt Se S\n1 1 1\ndirect\n0.333333 0.666666 0.008531 Pt\n0.000000 0.000000 0.743947 Se\n0.666667 0.333333 0.247522 S\n",
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"spacegroup": 156
},
{
"id": "jvasp-90010",
"created_at": "2022-09-04T14:35:43.494562Z",
"updated_at": "2022-09-04T14:35:43.494586Z",
"structure_string": "Pt1 S6 N2\n1.0\n-5.506731 -6.403099 -0.608886\n-2.791880 4.835679 -0.000000\n-0.346801 -0.200226 -3.781714\nPt S N\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Pt\n0.610820 0.805410 0.421514 S\n0.227253 0.847163 -0.068673 S\n0.227253 0.380091 -0.068673 S\n0.389180 0.194590 0.578486 S\n0.772748 0.152837 0.068674 S\n0.772748 0.619909 0.068674 S\n0.164665 0.582331 0.716368 N\n0.835335 0.417668 0.283632 N\n",
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],
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"density": 4.1326852416912825,
"density_atomic": 0.053909820191313,
"volume": 166.94546500175966,
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"formula_full": "Pt1 S6 N2",
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"spacegroup": 12
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{
"id": "jvasp-114806",
"created_at": "2022-09-04T14:38:43.893442Z",
"updated_at": "2022-09-04T14:38:43.893479Z",
"structure_string": "Pt1 S1 Cl2\n1.0\n3.754992 0.000000 0.000000\n0.000000 3.754992 -0.000000\n0.000000 -0.000000 5.432881\nPt S Cl\n1 1 2\ndirect\n0.500000 0.500000 0.502429 Pt\n0.000000 0.000000 0.002492 S\n0.000000 0.000000 0.502506 Cl\n0.500000 0.500000 0.002573 Cl\n",
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"formula_full": "Pt1 S1 Cl2",
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"spacegroup": 123
},
{
"id": "jvasp-114803",
"created_at": "2022-09-04T14:38:43.285567Z",
"updated_at": "2022-09-04T14:38:43.285593Z",
"structure_string": "Pt1 S1 Cl1\n1.0\n4.634470 0.000000 -0.000000\n-2.317235 4.013569 0.000000\n0.000000 0.000000 2.925453\nPt S Cl\n1 1 1\ndirect\n0.333333 0.666667 0.000000 Pt\n0.666667 0.333334 0.000000 S\n0.000000 0.000000 0.000000 Cl\n",
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"formula_full": "Pt1 S1 Cl1",
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"spacegroup": 187
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{
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"created_at": "2022-09-04T14:38:43.854342Z",
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"structure_string": "Pt1 S1 Cl1\n1.0\n2.803564 0.000000 -0.000000\n0.000000 2.803564 0.000000\n0.000000 -0.000000 7.974378\nPt S Cl\n1 1 1\ndirect\n0.000000 0.000000 0.678209 Pt\n0.000000 0.000000 -0.044330 S\n0.000000 0.000000 0.384399 Cl\n",
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}
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}