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{
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"structure_string": "Sm2 Ta2 O8\n1.0\n4.820898 0.009955 -1.773048\n-1.327609 4.890062 -2.051674\n-0.012544 0.004793 6.641142\nSm Ta O\n2 2 8\ndirect\n0.381473 0.631473 0.262945 Sm\n0.618528 0.368527 0.737055 Sm\n0.850231 0.100231 0.200459 Ta\n0.149771 0.899770 0.799542 Ta\n0.998770 0.792214 0.062679 O\n0.563909 0.270465 0.062678 O\n0.001231 0.207786 0.937322 O\n0.436093 0.729535 0.937322 O\n0.201548 0.361507 0.416645 O\n0.715097 0.055137 0.416645 O\n0.798453 0.638493 0.583356 O\n0.284904 0.944863 0.583356 O\n",
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{
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"created_at": "2022-09-04T14:37:19.692899Z",
"updated_at": "2022-09-04T14:37:19.692927Z",
"structure_string": "Sm2 Ta2 Cl2 O7\n1.0\n3.803255 -0.000015 -0.970803\n-0.693395 6.320550 -2.716182\n-0.003216 -0.012124 7.922167\nSm Ta Cl O\n2 2 2 7\ndirect\n0.306590 0.835112 0.613186 Sm\n0.693409 0.164889 0.386815 Sm\n0.965149 0.200237 0.930297 Ta\n0.034850 0.799765 0.069705 Ta\n0.678577 0.565109 0.357162 Cl\n0.321422 0.434893 0.642839 Cl\n0.453417 0.158534 0.906833 O\n0.546582 0.841468 0.093168 O\n0.917007 0.844747 0.834024 O\n0.000001 0.500000 0.000000 O\n0.823071 0.066405 0.646144 O\n0.082992 0.155255 0.165978 O\n0.176928 0.933596 0.353857 O\n",
"nsites": 13,
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"elements": [
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"density_atomic": 0.06831854472687737,
"volume": 190.2850836763453,
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"formula_full": "Sm2 Ta2 Cl2 O7",
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{
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"created_at": "2022-09-04T14:36:00.001291Z",
"updated_at": "2022-09-04T14:36:00.001319Z",
"structure_string": "Sm2 Sn2 Au2\n1.0\n2.369813 -4.104555 0.000000\n2.369813 4.104555 0.000000\n0.000000 0.000000 7.568112\nSm Sn Au\n2 2 2\ndirect\n0.999993 0.000006 0.973976 Sm\n0.000006 0.999993 0.473976 Sm\n0.666666 0.333333 0.199192 Sn\n0.333333 0.666666 0.699192 Sn\n0.666666 0.333332 0.796832 Au\n0.333332 0.666666 0.296833 Au\n",
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"elements": [
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},
{
"id": "jvasp-93834",
"created_at": "2022-09-04T14:35:53.511352Z",
"updated_at": "2022-09-04T14:35:53.511378Z",
"structure_string": "Sm2 Sn2 Au2\n1.0\n-2.359087 -4.086110 -0.000000\n-2.359087 4.086110 0.000000\n0.000000 0.000000 -7.678184\nSm Sn Au\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Sm\n0.000000 0.000000 0.000000 Sm\n0.666649 0.333352 0.250000 Sn\n0.333352 0.666649 0.750000 Sn\n0.666674 0.333327 0.750000 Au\n0.333327 0.666674 0.250000 Au\n",
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{
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"structure_string": "Sm2 Sn2 Au2\n1.0\n2.369812 -4.104634 0.000000\n2.369812 4.104634 0.000000\n0.000000 -0.000000 7.568766\nSm Sn Au\n2 2 2\ndirect\n0.000000 0.000000 0.473973 Sm\n0.000000 0.000000 0.973974 Sm\n0.333333 0.666666 0.699219 Sn\n0.666666 0.333333 0.199219 Sn\n0.666666 0.333333 0.796808 Au\n0.333333 0.666666 0.296808 Au\n",
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{
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"created_at": "2022-09-04T14:37:43.343898Z",
"updated_at": "2022-09-04T14:37:43.343932Z",
"structure_string": "Sm2 Si6 Ni2\n1.0\n3.925503 0.000000 -0.736124\n0.000000 4.037913 0.000000\n-0.004553 0.000000 10.810471\nSm Si Ni\n2 6 2\ndirect\n0.331355 0.500000 0.662710 Sm\n0.668645 0.500000 0.337290 Sm\n0.444189 0.000000 0.888378 Si\n0.555811 0.000000 0.111623 Si\n0.217396 0.000000 0.434792 Si\n0.782604 0.000000 0.565208 Si\n0.944163 0.500000 0.888325 Si\n0.055837 0.500000 0.111676 Si\n0.108829 0.000000 0.217659 Ni\n0.891171 0.000000 0.782341 Ni\n",
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"volume": 171.34150841152402,
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"formula_full": "Sm2 Si6 Ni2",
"formula_reduced": "SmSi3Ni",
"formula_anonymous": "ABC3",
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"spacegroup": 65
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{
"id": "jvasp-21587",
"created_at": "2022-09-04T14:37:51.863460Z",
"updated_at": "2022-09-04T14:37:51.863473Z",
"structure_string": "Sm2 Si4 Pt4\n1.0\n4.267398 0.000000 0.000000\n0.000000 4.267398 0.000000\n0.000000 0.000000 9.818840\nSm Si Pt\n2 4 4\ndirect\n0.500000 0.000000 0.745586 Sm\n0.000000 0.500000 0.254414 Sm\n0.500000 0.000000 0.131891 Si\n0.000000 0.000000 0.500000 Si\n0.000000 0.500000 0.868109 Si\n0.500000 0.500000 0.500000 Si\n0.000000 0.500000 0.621879 Pt\n0.500000 0.500000 0.000000 Pt\n0.000000 0.000000 0.000000 Pt\n0.500000 0.000000 0.378121 Pt\n",
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"volume": 178.8078090843664,
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"formula_full": "Sm2 Si4 Pt4",
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{
"id": "jvasp-94293",
"created_at": "2022-09-04T14:36:15.842655Z",
"updated_at": "2022-09-04T14:36:15.842670Z",
"structure_string": "Sm2 Si4\n1.0\n4.111961 0.000000 0.000000\n0.000000 4.111961 0.000000\n-2.055981 -2.055981 7.219058\nSm Si\n2 4\ndirect\n0.250000 0.750000 0.500000 Sm\n0.000000 0.000000 0.000000 Sm\n0.666902 0.166902 0.333805 Si\n0.583098 0.583098 0.166195 Si\n0.833098 0.333098 0.666196 Si\n0.416902 0.416902 0.833805 Si\n",
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},
{
"id": "jvasp-17277",
"created_at": "2022-09-04T14:38:29.588771Z",
"updated_at": "2022-09-04T14:38:29.588791Z",
"structure_string": "Sm2 Si4\n1.0\n3.947831 -0.000000 -1.145034\n-0.332107 3.933837 -1.145034\n0.118093 0.128484 7.785318\nSm Si\n2 4\ndirect\n0.874999 0.625000 0.250001 Sm\n0.124999 0.375000 0.750000 Sm\n0.708064 0.958066 0.916133 Si\n0.458065 0.208065 0.416133 Si\n0.541933 0.791934 0.583868 Si\n0.291934 0.041934 0.083868 Si\n",
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{
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"created_at": "2022-09-04T14:36:21.087042Z",
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"structure_string": "Sm2 Si3 Pt1\n1.0\n4.043135 -0.003249 -6.610192\n-0.306928 3.908168 -6.683832\n0.007668 0.003249 7.748647\nSm Si Pt\n2 3 1\ndirect\n0.128386 0.128385 0.000000 Sm\n0.371725 0.871725 0.500001 Sm\n0.705227 0.705227 0.000001 Si\n0.540351 0.540351 0.000001 Si\n0.794649 0.294648 0.500002 Si\n0.959665 0.459664 0.500002 Pt\n",
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{
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