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{
"id": "jvasp-17443",
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{
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{
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"structure_string": "Sm1 Ni2 B2 C1\n1.0\n3.463899 -0.000000 -1.153503\n-0.384125 3.442534 -1.153503\n-0.034045 -0.038056 5.675448\nSm Ni B C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.249998 0.749998 0.500000 Ni\n0.749999 0.249999 0.500000 Ni\n0.352837 0.352837 0.705677 B\n0.647160 0.647160 0.294324 B\n0.499999 0.499999 0.000000 C\n",
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{
"id": "jvasp-19698",
"created_at": "2022-09-04T14:38:29.985992Z",
"updated_at": "2022-09-04T14:38:29.986026Z",
"structure_string": "Sm2 Ni4\n1.0\n4.433836 -0.000000 2.559875\n1.477946 4.180260 2.559875\n0.000000 0.000000 5.119752\nSm Ni\n2 4\ndirect\n0.875002 0.875000 0.875000 Sm\n0.125000 0.125000 0.125000 Sm\n0.500001 0.500000 0.500000 Ni\n0.500001 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 -0.000000 0.500000 Ni\n",
"nsites": 6,
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"elements": [
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"volume": 94.89249028243842,
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},
{
"id": "jvasp-37086",
"created_at": "2022-09-04T14:38:03.793443Z",
"updated_at": "2022-09-04T14:38:03.793463Z",
"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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{
"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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{
"id": "jvasp-19817",
"created_at": "2022-09-04T14:36:07.963533Z",
"updated_at": "2022-09-04T14:36:07.963551Z",
"structure_string": "Sm1 N1\n1.0\n3.098858 -0.000000 1.789127\n1.032953 2.921631 1.789127\n0.000000 0.000000 3.578254\nSm N\n1 1\ndirect\n0.500000 0.500000 0.500001 Sm\n0.000000 0.000000 0.000000 N\n",
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"elements": [
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"volume": 32.39650836426778,
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{
"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,
"volume_molar": 10.98231434065542,
"formula_full": "Sm2 Mo2 Cl2 O8",
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"formula_anonymous": "ABCD4",
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{
"id": "jvasp-112483",
"created_at": "2022-09-04T14:38:41.132720Z",
"updated_at": "2022-09-04T14:38:41.132747Z",
"structure_string": "Sm1 Mo6 Se8\n1.0\n6.794246 0.013002 0.126374\n0.124287 6.793121 0.126373\n0.013217 0.013002 6.795408\nSm Mo Se\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Sm\n0.763753 0.576242 0.439883 Mo\n0.439884 0.763751 0.576242 Mo\n0.576243 0.439883 0.763751 Mo\n0.236249 0.423757 0.560117 Mo\n0.560117 0.236248 0.423757 Mo\n0.423758 0.560117 0.236248 Mo\n0.760796 0.760794 0.760794 Se\n0.239206 0.239205 0.239205 Se\n0.242798 0.626797 0.879814 Se\n0.879815 0.242796 0.626797 Se\n0.626798 0.879814 0.242796 Se\n0.757204 0.373202 0.120185 Se\n0.120186 0.757203 0.373202 Se\n0.373203 0.120185 0.757203 Se\n",
"nsites": 15,
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"formula_full": "Sm1 Mo6 Se8",
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{
"id": "jvasp-37273",
"created_at": "2022-09-04T14:37:57.310147Z",
"updated_at": "2022-09-04T14:37:57.310167Z",
"structure_string": "Sm1 Mo6 S8\n1.0\n4.564402 -2.635258 -3.829224\n-0.000000 5.270518 -3.829224\n4.564402 2.635259 3.829224\nSm Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Sm\n0.438201 0.579675 0.225620 Mo\n0.774380 0.438201 0.420324 Mo\n0.420323 0.225619 0.438202 Mo\n0.579675 0.774380 0.561798 Mo\n0.225619 0.561798 0.579675 Mo\n0.561799 0.420325 0.774381 Mo\n0.628513 0.246860 0.125965 S\n0.759127 0.759127 0.240872 S\n0.125964 0.371486 0.246860 S\n0.246860 0.874036 0.371486 S\n0.753140 0.125964 0.628514 S\n0.874034 0.628514 0.753140 S\n0.240873 0.240872 0.759127 S\n0.371486 0.753140 0.874036 S\n",
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"volume": 276.35618410156223,
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"formula_full": "Sm1 Mo6 S8",
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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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],
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"formula_full": "Sm2 Mn2 Si4",
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{
"id": "jvasp-17240",
"created_at": "2022-09-04T14:38:01.876131Z",
"updated_at": "2022-09-04T14:38:01.876157Z",
"structure_string": "Sm1 Mn2 Si2\n1.0\n3.718918 0.000000 -1.314493\n-0.464622 3.689780 -1.314493\n-0.002139 -0.002426 5.911911\nSm Mn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.750000 0.249999 0.500000 Mn\n0.250000 0.749999 0.500000 Mn\n0.623378 0.623378 0.246757 Si\n0.376622 0.376621 0.753244 Si\n",
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}