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{
"id": "jvasp-37587",
"created_at": "2022-09-04T14:38:09.286432Z",
"updated_at": "2022-09-04T14:38:09.286445Z",
"structure_string": "Sm2 Ni2 Ge4\n1.0\n0.000000 0.000000 4.235638\n4.193856 0.000000 0.000000\n2.096928 8.342281 0.000000\nSm Ni Ge\n2 2 4\ndirect\n0.250000 0.891979 0.216043 Sm\n0.749999 0.108021 0.783957 Sm\n0.749999 0.319235 0.361530 Ni\n0.250000 0.680766 0.638470 Ni\n0.749999 0.457993 0.084015 Ge\n0.250000 0.250965 0.498070 Ge\n0.749999 0.749036 0.501931 Ge\n0.250000 0.542008 0.915985 Ge\n",
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{
"id": "jvasp-37086",
"created_at": "2022-09-04T14:38:03.793443Z",
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"structure_string": "Sm2 Ni2\n1.0\n-3.751714 -0.000000 -0.000000\n0.000000 0.000000 -4.296621\n-1.875856 -5.166410 -0.000000\nSm Ni\n2 2\ndirect\n0.138152 0.750000 0.723698 Sm\n0.861848 0.250000 0.276302 Sm\n0.424362 0.750000 0.151276 Ni\n0.575638 0.250000 0.848724 Ni\n",
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{
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"structure_string": "Sm2 Ni1 Ru1\n1.0\n4.224089 -0.000000 2.438779\n1.408030 3.982509 2.438779\n-0.000000 -0.000000 4.877558\nSm Ni Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sm\n0.750000 0.750000 0.750000 Sm\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ru\n",
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"formula_full": "Sm2 Ni1 Ru1",
"formula_reduced": "Sm2NiRu",
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"spacegroup": 225
},
{
"id": "jvasp-40567",
"created_at": "2022-09-04T14:37:46.596879Z",
"updated_at": "2022-09-04T14:37:46.596902Z",
"structure_string": "Sm2 Ni1 Ir1\n1.0\n0.000000 3.467691 3.467691\n3.467691 -0.000000 3.467691\n3.467691 3.467691 0.000000\nSm Ni Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.499999 0.499999 0.499999 Sm\n0.750001 0.750001 0.750001 Ni\n0.250001 0.250001 0.250001 Ir\n",
"nsites": 4,
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"elements": [
"Sm",
"Ni",
"Ir"
],
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"density": 10.98363569460849,
"density_atomic": 0.047963274128728944,
"volume": 83.39714234821363,
"volume_molar": 12.555733255067487,
"formula_full": "Sm2 Ni1 Ir1",
"formula_reduced": "Sm2NiIr",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-11168",
"created_at": "2022-09-04T14:36:38.943363Z",
"updated_at": "2022-09-04T14:36:38.943387Z",
"structure_string": "Sm2 Nb2 O8\n1.0\n4.852592 0.017321 -1.837186\n-1.233442 4.882375 -2.057569\n-0.022270 0.000912 6.691320\nSm Nb O\n2 2 8\ndirect\n0.378818 0.628817 0.757635 Sm\n0.621182 0.371181 0.242364 Sm\n0.855897 0.105897 0.711796 Nb\n0.144102 0.894101 0.288203 Nb\n0.986986 0.787197 0.563932 O\n0.576948 0.276735 0.563933 O\n0.013014 0.212801 0.436066 O\n0.423052 0.723264 0.436066 O\n0.205748 0.365692 0.919139 O\n0.713392 0.053447 0.919138 O\n0.794252 0.634306 0.080860 O\n0.286608 0.946552 0.080860 O\n",
"nsites": 12,
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"elements": [
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"O"
],
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"density": 6.438680533130174,
"density_atomic": 0.07571595048514591,
"volume": 158.48708129674975,
"volume_molar": 7.953595935088252,
"formula_full": "Sm2 Nb2 O8",
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"formula_anonymous": "ABC4",
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"spacegroup": 15
},
{
"id": "jvasp-57366",
"created_at": "2022-09-04T14:37:44.404396Z",
"updated_at": "2022-09-04T14:37:44.404411Z",
"structure_string": "Sm2 Mo2 Cl2 O8\n1.0\n6.200994 -0.000212 1.501898\n1.793357 5.936007 1.501898\n0.011467 0.008514 6.940336\nSm Mo Cl O\n2 2 2 8\ndirect\n0.221821 0.221820 0.889408 Sm\n0.778180 0.778181 0.110593 Sm\n0.637392 0.637391 0.730826 Mo\n0.362609 0.362609 0.269175 Mo\n0.010180 0.010179 0.239570 Cl\n0.989821 0.989821 0.760431 Cl\n0.116473 0.489530 0.152106 O\n0.706126 0.706126 0.468764 O\n0.460930 0.460929 0.793673 O\n0.293875 0.293874 0.531237 O\n0.539071 0.539071 0.206328 O\n0.510470 0.883527 0.847895 O\n0.883527 0.510470 0.847895 O\n0.489530 0.116473 0.152106 O\n",
"nsites": 14,
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"elements": [
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"Cl",
"O"
],
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"density": 4.497498551578151,
"density_atomic": 0.05483489702809401,
"volume": 255.31186814898672,
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"formula_full": "Sm2 Mo2 Cl2 O8",
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"formula_anonymous": "ABCD4",
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},
{
"id": "jvasp-17206",
"created_at": "2022-09-04T14:38:15.133287Z",
"updated_at": "2022-09-04T14:38:15.133300Z",
"structure_string": "Sm2 Mo2 C3\n1.0\n3.310803 -0.000000 -1.003513\n-0.475750 5.579537 -1.569601\n-0.007468 0.013873 5.938640\nSm Mo C\n2 2 3\ndirect\n0.389305 0.175184 0.778613 Sm\n0.610693 0.824816 0.221387 Sm\n0.152385 0.381578 0.304771 Mo\n0.847613 0.618422 0.695230 Mo\n-0.000000 0.500000 0.000000 C\n0.275246 0.733766 0.550492 C\n0.724753 0.266234 0.449508 C\n",
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"elements": [
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"Mo",
"C"
],
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"density": 7.999043602582031,
"density_atomic": 0.0637871907054858,
"volume": 109.73990110835825,
"volume_molar": 9.440987592328764,
"formula_full": "Sm2 Mo2 C3",
"formula_reduced": "Sm2Mo2C3",
"formula_anonymous": "A2B2C3",
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"spacegroup": 12
},
{
"id": "jvasp-37461",
"created_at": "2022-09-04T14:38:31.708245Z",
"updated_at": "2022-09-04T14:38:31.708279Z",
"structure_string": "Sm2 Mn6\n1.0\n2.994208 -5.186122 0.000000\n2.994208 5.186122 0.000000\n0.000000 0.000000 4.581759\nSm Mn\n2 6\ndirect\n0.666667 0.333333 0.750000 Sm\n0.333333 0.666667 0.250000 Sm\n0.853697 0.707394 0.250000 Mn\n0.292607 0.146304 0.250000 Mn\n0.853696 0.146304 0.250000 Mn\n0.146304 0.292607 0.750000 Mn\n0.707394 0.853697 0.750000 Mn\n0.146304 0.853696 0.750000 Mn\n",
"nsites": 8,
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],
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"density": 7.356017097767697,
"density_atomic": 0.05622158101397822,
"volume": 142.29411296724263,
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"formula_full": "Sm2 Mn6",
"formula_reduced": "SmMn3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.6598701497844814,
"spacegroup": 194
},
{
"id": "jvasp-103643",
"created_at": "2022-09-04T14:36:51.645541Z",
"updated_at": "2022-09-04T14:36:51.645565Z",
"structure_string": "Sm2 Mn4 Si2 C2\n1.0\n5.633934 0.010103 0.000000\n-4.359719 3.568496 0.000000\n0.000000 0.000000 7.001528\nSm Mn Si C\n2 4 2 2\ndirect\n0.546126 0.453874 0.250000 Sm\n0.453874 0.546126 0.750000 Sm\n0.831780 0.168218 0.063267 Mn\n0.168219 0.831782 0.936734 Mn\n0.168219 0.831782 0.563267 Mn\n0.831780 0.168218 0.436734 Mn\n0.266835 0.733166 0.250000 Si\n0.733164 0.266834 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
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"elements": [
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],
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"density_atomic": 0.07088588552936777,
"volume": 141.07180753010465,
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"formula_full": "Sm2 Mn4 Si2 C2",
"formula_reduced": "SmMn2SiC",
"formula_anonymous": "ABCD2",
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"spacegroup": 63
},
{
"id": "jvasp-120445",
"created_at": "2022-09-04T14:38:52.171957Z",
"updated_at": "2022-09-04T14:38:52.171984Z",
"structure_string": "Sm2 Mn3 Cu9 P7\n1.0\n3.791625 -0.000000 0.000000\n-0.000000 8.345582 4.708644\n-0.000000 0.160901 9.451504\nSm Mn Cu P\n2 3 9 7\ndirect\n0.000000 0.670528 0.663729 Sm\n0.500001 0.329162 0.337344 Sm\n0.500001 0.790170 0.118869 Mn\n0.500001 0.136392 0.081831 Mn\n0.500001 0.065021 0.816706 Mn\n0.500001 0.421904 0.613775 Cu\n0.500001 0.958727 0.425490 Cu\n0.500001 0.612296 0.961277 Cu\n0.000000 0.888845 0.266030 Cu\n0.000000 0.286136 0.834774 Cu\n0.000000 0.048561 0.572366 Cu\n0.000000 0.381961 0.050058 Cu\n0.000000 0.570336 0.384385 Cu\n0.000000 0.832622 0.882288 Cu\n0.500001 0.416385 0.877688 P\n0.000000 0.585533 0.130141 P\n0.000000 0.124299 0.284922 P\n0.000000 0.278179 0.595391 P\n0.500001 0.883978 0.712243 P\n0.500001 0.711114 0.407991 P\n0.000000 0.007846 -0.017304 P\n",
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"density": 7.03148161592839,
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"volume": 296.2043086203549,
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"formula_full": "Sm2 Mn3 Cu9 P7",
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"formula_anonymous": "A2B3C7D9",
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{
"id": "jvasp-91798",
"created_at": "2022-09-04T14:36:00.485433Z",
"updated_at": "2022-09-04T14:36:00.485447Z",
"structure_string": "Sm2 Mn2 Si4\n1.0\n0.000000 -0.000000 -3.980032\n-4.030737 0.000000 0.000000\n2.015369 8.748316 -0.000000\nSm Mn Si\n2 2 4\ndirect\n0.750000 0.102079 0.204159 Sm\n0.250000 0.897921 0.795842 Sm\n0.750000 0.749739 0.499477 Mn\n0.250000 0.250261 0.500523 Mn\n0.750000 0.322150 0.644300 Si\n0.250000 0.677850 0.355701 Si\n0.750000 0.463332 0.926662 Si\n0.250000 0.536669 0.073338 Si\n",
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"formula_full": "Sm2 Mn2 Si4",
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"spacegroup": 63
},
{
"id": "jvasp-35064",
"created_at": "2022-09-04T14:37:41.620868Z",
"updated_at": "2022-09-04T14:37:41.620898Z",
"structure_string": "Sm2 Mn2 Si2\n1.0\n3.994332 0.000000 0.000000\n0.000000 3.994332 0.000000\n0.000000 0.000000 7.152039\nSm Mn Si\n2 2 2\ndirect\n0.500000 0.000000 0.329931 Sm\n0.000000 0.500000 0.670069 Sm\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.806680 Si\n0.000000 0.500000 0.193320 Si\n",
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"spacegroup": 129
}
]
}