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{
"id": "jvasp-69037",
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"structure_string": "Ba2 Hg1 Pb1\n1.0\n-0.000000 4.231264 4.231264\n4.231264 -0.000000 4.231264\n4.231264 4.231264 -0.000000\nBa Hg Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Pb\n",
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{
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{
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{
"id": "jvasp-51455",
"created_at": "2022-09-04T14:36:14.199234Z",
"updated_at": "2022-09-04T14:36:14.199245Z",
"structure_string": "Ti1 Ga1 Fe2\n1.0\n3.560657 0.000082 2.055872\n1.186930 3.357018 2.055928\n0.000067 0.000117 4.111626\nTi Ga Fe\n1 1 2\ndirect\n0.500001 0.500000 0.500000 Ti\n1.000000 -0.000001 -0.000001 Ga\n0.250004 0.250004 0.250005 Fe\n0.749997 0.749996 0.749993 Fe\n",
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"density": 7.746945936306743,
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"volume": 49.14561174433022,
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},
{
"id": "jvasp-18467",
"created_at": "2022-09-04T14:36:14.242526Z",
"updated_at": "2022-09-04T14:36:14.242540Z",
"structure_string": "K2 Mo1 Cl6\n1.0\n5.975362 0.000000 3.449876\n1.991787 5.633625 3.449876\n0.000000 0.000000 6.899754\nK Mo Cl\n2 1 6\ndirect\n0.750000 0.749999 0.750001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Mo\n0.244770 0.755230 0.755231 Cl\n0.244770 0.755230 0.244770 Cl\n0.755230 0.244769 0.755231 Cl\n0.755230 0.244769 0.244770 Cl\n0.755231 0.755230 0.244770 Cl\n0.244770 0.244769 0.755230 Cl\n",
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{
"id": "jvasp-99528",
"created_at": "2022-09-04T14:36:13.721901Z",
"updated_at": "2022-09-04T14:36:13.721926Z",
"structure_string": "Na2 Ga1 Hg1 F6\n1.0\n5.344012 -0.000000 3.085367\n1.781337 5.038383 3.085367\n-0.000000 -0.000000 6.170733\nNa Ga Hg F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Hg\n0.780614 0.219386 0.219386 F\n0.219386 0.219386 0.780614 F\n0.219386 0.780614 0.780614 F\n0.219386 0.780614 0.219386 F\n0.780614 0.219386 0.780614 F\n0.780614 0.780614 0.219387 F\n",
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"formula_full": "Na2 Ga1 Hg1 F6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-105919",
"created_at": "2022-09-04T14:36:13.725709Z",
"updated_at": "2022-09-04T14:36:13.725735Z",
"structure_string": "Nb1 Ga1 Pb2 O6\n1.0\n4.914812 -0.000000 2.837568\n1.638271 4.633728 2.837568\n-0.000000 -0.000000 5.675135\nNb Ga Pb O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500001 Ga\n0.250000 0.250000 0.250000 Pb\n0.750000 0.750000 0.750001 Pb\n0.748954 0.251046 0.251046 O\n0.251045 0.748955 0.748955 O\n0.251045 0.748955 0.251046 O\n0.748954 0.251046 0.748955 O\n0.251046 0.251046 0.748955 O\n0.748954 0.748955 0.251047 O\n",
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"O"
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"density": 8.647033737647769,
"density_atomic": 0.07737245123445245,
"volume": 129.24496820836399,
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"formula_full": "Nb1 Ga1 Pb2 O6",
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{
"id": "jvasp-74598",
"created_at": "2022-09-04T14:36:13.838084Z",
"updated_at": "2022-09-04T14:36:13.838109Z",
"structure_string": "Ca2 Be1 Tl1\n1.0\n-2.613221 2.613221 3.697794\n2.613221 -2.613221 3.697794\n2.613221 2.613221 -3.697794\nCa Be Tl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.499999 0.499999 0.000000 Ca\n0.749999 0.250000 0.500000 Be\n0.250000 0.749999 0.500000 Tl\n",
"nsites": 4,
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{
"id": "jvasp-66754",
"created_at": "2022-09-04T14:36:14.026261Z",
"updated_at": "2022-09-04T14:36:14.026279Z",
"structure_string": "Ca1 Ti1 Be2\n1.0\n-2.266956 2.266956 3.205390\n2.266956 -2.266956 3.205390\n2.266956 2.266956 -3.205390\nCa Ti Be\n1 1 2\ndirect\n0.250000 0.750001 0.500001 Ca\n0.750001 0.250000 0.500001 Ti\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n",
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},
{
"id": "jvasp-98012",
"created_at": "2022-09-04T14:36:13.937643Z",
"updated_at": "2022-09-04T14:36:13.937663Z",
"structure_string": "Rb3 Ir1 N6 O12\n1.0\n6.467427 -0.000000 3.733970\n2.155809 6.097548 3.733970\n0.000000 -0.000000 7.467941\nRb Ir N O\n3 1 6 12\ndirect\n0.750000 0.750000 0.749999 Rb\n0.500000 0.500000 0.500000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ir\n0.808077 0.808076 0.191923 N\n0.191924 0.808076 0.191924 N\n0.191924 0.191924 0.808076 N\n0.808076 0.191924 0.808076 N\n0.191924 0.808076 0.808076 N\n0.808076 0.191924 0.191924 N\n0.410792 0.000000 0.589208 O\n0.000000 0.410792 0.589208 O\n0.000000 0.000000 0.589208 O\n0.000000 0.589208 -0.000000 O\n0.000000 0.589208 0.410792 O\n0.410792 0.000000 -0.000000 O\n0.000000 0.410792 -0.000000 O\n0.589209 0.000000 0.410791 O\n0.589209 0.410792 -0.000000 O\n0.410792 0.589208 -0.000000 O\n0.589209 0.000000 -0.000000 O\n0.000000 0.000000 0.410792 O\n",
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"formula_full": "Rb3 Ir1 N6 O12",
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{
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"created_at": "2022-09-04T14:36:13.939960Z",
"updated_at": "2022-09-04T14:36:13.939981Z",
"structure_string": "K2 Cu1 Sb1 Cl6\n1.0\n6.274799 -0.000000 3.622757\n2.091600 5.915937 3.622757\n-0.000000 -0.000000 7.245513\nK Cu Sb Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Sb\n0.740962 0.259038 0.259038 Cl\n0.259038 0.259038 0.740962 Cl\n0.259038 0.740962 0.740962 Cl\n0.259038 0.740962 0.259038 Cl\n0.740962 0.259038 0.740962 Cl\n0.740962 0.740962 0.259039 Cl\n",
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{
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"structure_string": "Tm1 Sb1\n1.0\n3.743284 0.000000 2.161186\n1.247761 3.529202 2.161186\n0.000000 0.000000 4.322372\nTm Sb\n1 1\ndirect\n0.499999 0.500000 0.500001 Tm\n0.000000 0.000000 0.000000 Sb\n",
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}