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{
"id": "jvasp-14520",
"created_at": "2022-09-04T14:38:06.074464Z",
"updated_at": "2022-09-04T14:38:06.074496Z",
"structure_string": "Sn4 Pd4\n1.0\n3.954597 0.000000 0.000000\n-0.000000 6.237740 0.000000\n0.000000 0.000000 6.491712\nSn Pd\n4 4\ndirect\n0.750001 0.806798 0.591968 Sn\n0.250000 0.193202 0.408031 Sn\n0.750001 0.306798 0.908031 Sn\n0.250000 0.693202 0.091969 Sn\n0.750001 0.990385 0.190484 Pd\n0.250000 0.009615 0.809516 Pd\n0.750001 0.490385 0.309516 Pd\n0.250000 0.509615 0.690484 Pd\n",
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{
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"structure_string": "Ce6 Sc2\n1.0\n6.711483 -0.000000 0.000000\n-3.355740 5.812315 0.000000\n-0.000000 -0.000000 5.577130\nCe Sc\n6 2\ndirect\n0.175249 0.350498 0.250000 Ce\n0.649503 0.824751 0.250000 Ce\n0.175250 0.824751 0.250000 Ce\n0.824751 0.649503 0.750000 Ce\n0.350497 0.175249 0.750000 Ce\n0.824750 0.175249 0.750000 Ce\n0.333334 0.666667 0.750000 Sc\n0.666667 0.333334 0.250000 Sc\n",
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{
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"updated_at": "2022-09-04T14:38:06.066301Z",
"structure_string": "Yb1 Mg16 Al12\n1.0\n7.477749 -4.317280 3.052779\n-0.000000 8.634562 3.052779\n-7.477749 -4.317280 3.052779\nYb Mg Al\n1 16 12\ndirect\n0.000000 0.000000 0.000000 Yb\n0.396168 0.396168 0.714749 Mg\n0.285253 0.681419 0.681421 Mg\n0.645776 0.645776 0.645776 Mg\n0.000000 0.318580 0.603831 Mg\n0.318580 0.999999 0.603832 Mg\n0.396168 0.714749 0.396168 Mg\n0.714749 0.396168 0.396168 Mg\n0.681420 0.285253 0.681420 Mg\n0.603832 0.999999 0.318580 Mg\n0.999999 0.603831 0.318580 Mg\n0.681421 0.681419 0.285253 Mg\n0.000000 0.354223 0.000000 Mg\n0.354223 0.000000 0.000000 Mg\n0.603831 0.318580 0.000000 Mg\n0.318580 0.603831 0.999999 Mg\n0.000000 0.000000 0.354223 Mg\n0.630542 0.999999 0.812509 Al\n0.999999 0.812508 0.630542 Al\n0.812509 0.999999 0.630542 Al\n0.369459 0.181967 0.369459 Al\n0.181967 0.369459 0.369459 Al\n0.630542 0.812508 0.999999 Al\n0.187491 0.818031 0.187491 Al\n0.369459 0.369459 0.181967 Al\n0.812509 0.630541 0.999999 Al\n0.999999 0.630541 0.812509 Al\n0.818032 0.187490 0.187491 Al\n0.187491 0.187490 0.818032 Al\n",
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{
"id": "jvasp-37207",
"created_at": "2022-09-04T14:38:06.058829Z",
"updated_at": "2022-09-04T14:38:06.058842Z",
"structure_string": "Si1 Pb1 O3\n1.0\n3.739414 0.000000 0.000000\n0.000000 3.739414 0.000000\n-0.000000 -0.000000 3.739414\nSi Pb O\n1 1 3\ndirect\n0.499999 0.499999 0.499999 Si\n0.000000 0.000000 0.000000 Pb\n0.499999 0.499999 0.000000 O\n0.499999 0.000000 0.499999 O\n0.000000 0.499999 0.499999 O\n",
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{
"id": "jvasp-38573",
"created_at": "2022-09-04T14:38:06.048571Z",
"updated_at": "2022-09-04T14:38:06.048591Z",
"structure_string": "Na1 F3\n1.0\n-1.635338 1.635338 4.202579\n1.635338 -1.635338 4.202579\n1.635338 1.635338 -4.202579\nNa F\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.750003 0.250001 0.500002 F\n0.250001 0.750003 0.500002 F\n0.499999 0.499999 0.000000 F\n",
"nsites": 4,
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{
"id": "jvasp-47617",
"created_at": "2022-09-04T14:38:06.044667Z",
"updated_at": "2022-09-04T14:38:06.044678Z",
"structure_string": "Li3 Mn3 Si1 O8\n1.0\n0.000000 5.215427 0.055437\n5.592011 0.000000 0.000000\n0.000000 -2.029956 -4.913195\nLi Mn Si O\n3 3 1 8\ndirect\n0.000000 0.500000 0.000000 Li\n-0.000001 0.244075 0.499999 Li\n-0.000001 0.755925 0.499999 Li\n0.500000 0.249548 -0.000000 Mn\n0.500000 0.750452 -0.000000 Mn\n0.500000 0.500000 0.499999 Mn\n0.500000 0.000000 0.499999 Si\n0.311199 0.000000 0.733413 O\n0.721934 0.236945 0.702104 O\n0.261427 0.500000 0.786719 O\n0.278065 0.236945 0.297894 O\n0.721934 0.763055 0.702104 O\n0.688801 0.000000 0.266586 O\n0.738572 0.500000 0.213279 O\n0.278065 0.763055 0.297894 O\n",
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"formula_anonymous": "AB3C3D8",
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{
"id": "jvasp-77355",
"created_at": "2022-09-04T14:38:06.044257Z",
"updated_at": "2022-09-04T14:38:06.044283Z",
"structure_string": "Hf2 Zn1 Tc1\n1.0\n-5.689371 -0.005972 -3.283002\n-4.106581 2.103436 0.540107\n-4.317657 6.729882 0.896143\nHf Zn Tc\n2 1 1\ndirect\n0.749993 0.749972 0.250018 Hf\n0.250005 0.750029 0.249983 Hf\n1.000000 0.250001 0.750000 Zn\n0.500000 0.250001 0.749999 Tc\n",
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"volume": 70.86339052382957,
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"formula_full": "Hf2 Zn1 Tc1",
"formula_reduced": "Hf2ZnTc",
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{
"id": "jvasp-37271",
"created_at": "2022-09-04T14:38:06.043247Z",
"updated_at": "2022-09-04T14:38:06.043273Z",
"structure_string": "Sm2 Mg1 Ir1\n1.0\n-0.000000 3.605695 3.605695\n3.605695 0.000000 3.605695\n3.605695 3.605695 -0.000000\nSm Mg Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Sm\n0.750001 0.750001 0.750001 Mg\n0.250000 0.250000 0.250000 Ir\n",
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"formula_full": "Sm2 Mg1 Ir1",
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},
{
"id": "jvasp-34408",
"created_at": "2022-09-04T14:38:06.040376Z",
"updated_at": "2022-09-04T14:38:06.040409Z",
"structure_string": "Na3 Mn3 Cr3 F18\n1.0\n4.529391 -7.845135 -0.000000\n4.529391 7.845135 0.000000\n0.000000 -0.000000 4.955161\nNa Mn Cr F\n3 3 3 18\ndirect\n0.368027 -0.000000 0.000000 Na\n0.631973 0.631973 0.000000 Na\n-0.000000 0.368027 0.000000 Na\n0.699984 -0.000000 0.500000 Mn\n-0.000000 0.699984 0.500000 Mn\n0.300016 0.300016 0.500000 Mn\n0.333333 0.666667 0.497475 Cr\n0.000000 0.000000 0.000000 Cr\n0.666667 0.333333 0.502525 Cr\n0.798120 0.897334 0.224675 F\n0.130146 0.591313 0.283761 F\n0.201879 0.099213 0.775325 F\n0.897334 0.798120 0.775325 F\n0.900787 0.102666 0.775325 F\n0.102666 0.900787 0.224675 F\n0.099213 0.201879 0.224675 F\n0.538833 0.408687 0.716239 F\n0.766993 0.541013 0.290192 F\n0.869854 0.461166 0.716239 F\n0.458987 0.225979 0.290192 F\n0.461166 0.869854 0.283761 F\n0.774021 0.233007 0.290192 F\n0.233007 0.774021 0.709808 F\n0.225979 0.458987 0.709808 F\n0.541013 0.766993 0.709808 F\n0.591313 0.130146 0.716239 F\n0.408687 0.538833 0.283761 F\n",
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{
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"created_at": "2022-09-04T14:38:06.037082Z",
"updated_at": "2022-09-04T14:38:06.037105Z",
"structure_string": "Ca1 Sn1 S3\n1.0\n4.652724 0.000000 0.000000\n0.000000 4.652724 0.000000\n0.000000 0.000000 6.157635\nCa Sn S\n1 1 3\ndirect\n0.500000 0.500000 0.368374 Ca\n0.000000 0.000000 0.808045 Sn\n0.000000 0.000000 0.194693 S\n-0.000000 0.500000 0.634443 S\n0.500000 0.000000 0.634443 S\n",
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{
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"structure_string": "In2 Pt1\n1.0\n3.962655 -0.000000 2.287840\n1.320885 3.736026 2.287840\n-0.000000 -0.000000 4.575679\nIn Pt\n2 1\ndirect\n0.750000 0.750001 0.750000 In\n0.250000 0.250000 0.250000 In\n0.000000 0.000000 0.000000 Pt\n",
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{
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"structure_string": "Ca2 W2 N6\n1.0\n-2.028944 -2.889723 -0.884715\n-4.795880 2.890341 1.557891\n2.017219 2.889058 -6.574421\nCa W N\n2 2 6\ndirect\n0.590232 0.290821 0.180466 Ca\n0.409766 0.709178 0.819534 Ca\n0.157155 0.871867 0.314311 W\n0.842843 0.128133 0.685689 W\n0.131420 0.551499 0.262841 N\n0.868577 0.448500 0.737158 N\n0.967352 0.061569 0.934708 N\n0.308631 0.979134 0.617264 N\n0.032646 0.938430 0.065291 N\n0.691366 0.020866 0.382736 N\n",
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