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{
"id": "jvasp-85615",
"created_at": "2022-09-04T14:35:42.852896Z",
"updated_at": "2022-09-04T14:35:42.852931Z",
"structure_string": "Pu4 Ni4 Sn2\n1.0\n3.357505 0.000000 -0.000000\n0.000000 7.314511 -0.000000\n-0.000000 0.000000 7.314511\nPu Ni Sn\n4 4 2\ndirect\n0.500001 0.390622 0.109378 Pu\n0.500001 0.109378 0.609378 Pu\n0.500001 0.609378 0.890622 Pu\n0.500001 0.890622 0.390622 Pu\n0.000000 0.694686 0.194686 Ni\n0.000000 0.805314 0.694686 Ni\n0.000000 0.194686 0.305314 Ni\n0.000000 0.305314 0.805314 Ni\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500000 0.500000 Sn\n",
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{
"id": "jvasp-7953",
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"structure_string": "Pu1 Si2 Ni2\n1.0\n3.646427 -0.000000 -1.387687\n-0.528100 3.607983 -1.387687\n0.026491 0.030651 5.554316\nPu Si Ni\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pu\n0.621838 0.621837 0.243676 Si\n0.378162 0.378161 0.756324 Si\n0.750000 0.250000 0.500000 Ni\n0.250000 0.749999 0.500000 Ni\n",
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{
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"updated_at": "2022-09-04T14:37:34.445215Z",
"structure_string": "U2 Ni8 P4\n1.0\n7.042908 -0.000000 0.000000\n-0.000000 7.042908 0.000000\n0.000000 0.000000 3.683905\nU Ni P\n2 8 4\ndirect\n0.500000 0.500000 0.000000 U\n0.000000 0.000000 0.499999 U\n0.589598 0.160714 0.499999 Ni\n0.410402 0.839287 0.499999 Ni\n0.160714 0.589598 0.499999 Ni\n0.839287 0.410402 0.499999 Ni\n0.089598 0.339286 0.000000 Ni\n0.910402 0.660714 0.000000 Ni\n0.660714 0.910402 0.000000 Ni\n0.339286 0.089598 0.000000 Ni\n0.218329 0.781672 0.000000 P\n0.281671 0.281671 0.499999 P\n0.718329 0.718329 0.499999 P\n0.781672 0.218329 0.000000 P\n",
"nsites": 14,
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"elements": [
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"chemical_system": "Ni-P-U",
"density": 9.718907778325471,
"density_atomic": 0.0766153134762265,
"volume": 182.7310933648292,
"volume_molar": 7.860231181940739,
"formula_full": "U2 Ni8 P4",
"formula_reduced": "U(Ni2P)2",
"formula_anonymous": "AB2C4",
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"spacegroup": 136
},
{
"id": "jvasp-18259",
"created_at": "2022-09-04T14:38:09.079327Z",
"updated_at": "2022-09-04T14:38:09.079352Z",
"structure_string": "U1 Ni2 P2\n1.0\n3.468204 0.000000 -1.324237\n-0.505623 3.431150 -1.324237\n0.210673 0.243993 5.755524\nU Ni P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.749999 0.250000 0.499999 Ni\n0.250000 0.750000 0.499999 Ni\n0.620023 0.620024 0.240046 P\n0.379976 0.379976 0.759952 P\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Ni-P-U",
"density": 9.798291621854451,
"density_atomic": 0.07068985306780479,
"volume": 70.73150930451172,
"volume_molar": 8.519102103980385,
"formula_full": "U1 Ni2 P2",
"formula_reduced": "U(NiP)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-8486",
"created_at": "2022-09-04T14:37:08.269437Z",
"updated_at": "2022-09-04T14:37:08.269454Z",
"structure_string": "Pu1 Ni5\n1.0\n2.439254 -4.224912 -0.000000\n2.439254 4.224912 0.000000\n-0.000000 -0.000000 3.961754\nPu Ni\n1 5\ndirect\n0.000000 0.000000 0.000000 Pu\n0.333332 0.666666 0.000000 Ni\n0.666666 0.333332 0.000000 Ni\n-0.000000 0.499999 0.499999 Ni\n0.499999 0.499999 0.499999 Ni\n0.499999 -0.000000 0.499999 Ni\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Ni-Pu",
"density": 10.929711725596144,
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"volume": 81.65676944783489,
"volume_molar": 8.19580932702882,
"formula_full": "Pu1 Ni5",
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"spacegroup": 191
},
{
"id": "jvasp-16825",
"created_at": "2022-09-04T14:38:31.921830Z",
"updated_at": "2022-09-04T14:38:31.921856Z",
"structure_string": "Pu2 Ni2\n1.0\n2.794790 0.000000 -0.982694\n0.000000 3.451842 0.000000\n0.595863 -0.000000 6.160196\nPu Ni\n2 2\ndirect\n0.199497 0.749999 0.398995 Pu\n0.800502 0.250000 0.601006 Pu\n0.436096 0.749999 0.872196 Ni\n0.563903 0.250000 0.127805 Ni\n",
"nsites": 4,
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"elements": [
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"density": 16.3592056955786,
"density_atomic": 0.06509388011407818,
"volume": 61.44970914300897,
"volume_molar": 9.251469953006474,
"formula_full": "Pu2 Ni2",
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"formula_anonymous": "AB",
"energy_above_hull": 3.1264212,
"spacegroup": 63
},
{
"id": "jvasp-85567",
"created_at": "2022-09-04T14:36:10.162474Z",
"updated_at": "2022-09-04T14:36:10.162510Z",
"structure_string": "Pu3 Ni9\n1.0\n4.693311 0.069755 7.231661\n2.193007 4.150031 7.231661\n0.113835 0.069755 8.620392\nPu Ni\n3 9\ndirect\n0.147591 0.147591 0.147591 Pu\n0.000000 0.000000 0.000000 Pu\n0.852410 0.852411 0.852407 Pu\n0.418119 0.418120 0.916474 Ni\n0.916476 0.418120 0.418117 Ni\n0.667307 0.667308 0.667305 Ni\n0.581882 0.581882 0.083524 Ni\n0.418119 0.916476 0.418117 Ni\n0.500000 0.500001 0.499999 Ni\n0.083525 0.581882 0.581880 Ni\n0.332693 0.332694 0.332692 Ni\n0.581881 0.083526 0.581880 Ni\n",
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"elements": [
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"density": 12.920657183746199,
"density_atomic": 0.0740906296455908,
"volume": 161.96380105556483,
"volume_molar": 8.128073399843732,
"formula_full": "Pu3 Ni9",
"formula_reduced": "PuNi3",
"formula_anonymous": "AB3",
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"spacegroup": 166
},
{
"id": "jvasp-18756",
"created_at": "2022-09-04T14:36:49.399076Z",
"updated_at": "2022-09-04T14:36:49.399109Z",
"structure_string": "Pu2 Ni4\n1.0\n4.234936 -0.000000 2.445042\n1.411645 3.992736 2.445042\n-0.000000 0.000000 4.890083\nPu Ni\n2 4\ndirect\n0.875001 0.875001 0.874998 Pu\n0.125000 0.125000 0.125000 Pu\n0.500001 0.500001 0.499999 Ni\n0.500001 0.500001 -0.000001 Ni\n0.000000 0.500001 0.499999 Ni\n0.500000 0.000000 0.499999 Ni\n",
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"elements": [
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"formula_full": "Pu2 Ni4",
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"spacegroup": 227
},
{
"id": "jvasp-110878",
"created_at": "2022-09-04T14:38:37.018143Z",
"updated_at": "2022-09-04T14:38:37.018166Z",
"structure_string": "Tm2 Ni1 Pt1\n1.0\n4.141300 -0.000000 2.390980\n1.380433 3.904455 2.390980\n0.000000 -0.000000 4.781961\nTm Ni Pt\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Tm\n0.750000 0.749999 0.750000 Tm\n0.500000 0.499999 0.500000 Ni\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
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"elements": [
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],
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"density": 12.705967904972738,
"density_atomic": 0.051731711544741966,
"volume": 77.32201159709284,
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"formula_full": "Tm2 Ni1 Pt1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-41876",
"created_at": "2022-09-04T14:37:32.953057Z",
"updated_at": "2022-09-04T14:37:32.953071Z",
"structure_string": "Sc2 Ni1 Pt1\n1.0\n0.000000 3.230883 3.230883\n3.230883 0.000000 3.230883\n3.230883 3.230883 -0.000000\nSc Ni Pt\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.250000 0.250000 0.250000 Ni\n0.750000 0.750000 0.750000 Pt\n",
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},
{
"id": "jvasp-26076",
"created_at": "2022-09-04T14:38:35.490817Z",
"updated_at": "2022-09-04T14:38:35.490831Z",
"structure_string": "Tm2 Ni12 P7\n1.0\n4.531742 -7.849207 0.000000\n4.531742 7.849207 0.000000\n-0.000000 -0.000000 3.680191\nTm Ni P\n2 12 7\ndirect\n0.666667 0.333333 0.500000 Tm\n0.333333 0.666667 0.000000 Tm\n0.906404 0.783145 0.500000 Ni\n0.876740 0.093595 0.500000 Ni\n0.216855 0.123259 0.500000 Ni\n0.050197 0.432617 0.500000 Ni\n0.382419 0.949802 0.500000 Ni\n0.567383 0.617580 0.500000 Ni\n0.121872 0.275390 0.000000 Ni\n0.153518 0.878128 0.000000 Ni\n0.937404 0.564910 0.000000 Ni\n0.627507 0.062596 0.000000 Ni\n0.435089 0.372493 0.000000 Ni\n0.724610 0.846482 0.000000 Ni\n0.293955 0.406729 0.500000 P\n0.000000 0.000000 0.000000 P\n0.409204 0.114326 0.000000 P\n0.885674 0.294877 0.000000 P\n0.705122 0.590795 0.000000 P\n0.112774 0.706045 0.500000 P\n0.593271 0.887226 0.500000 P\n",
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],
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"volume": 261.8130643324048,
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"formula_full": "Tm2 Ni12 P7",
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{
"id": "jvasp-93276",
"created_at": "2022-09-04T14:36:14.700731Z",
"updated_at": "2022-09-04T14:36:14.700757Z",
"structure_string": "Tm1 Ni2 P2\n1.0\n3.610840 0.000000 -1.371596\n-0.521007 3.573054 -1.371596\n-0.011227 -0.012982 5.409161\nTm Ni P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.749999 0.250000 0.499999 Ni\n0.249999 0.749999 0.499999 Ni\n0.377981 0.377982 0.755963 P\n0.622018 0.622018 0.244035 P\n",
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}
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}