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{
"id": "jvasp-93532",
"created_at": "2022-09-04T14:36:14.241811Z",
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"structure_string": "Ca3 Mg3\n1.0\n3.688936 0.000000 0.000000\n-1.844468 3.194711 -0.000000\n-0.000000 -0.000000 16.456631\nCa Mg\n3 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666668 0.333333 0.333333 Ca\n0.333333 0.666667 0.666667 Ca\n0.333333 0.666667 0.166667 Mg\n0.000000 0.000000 0.500000 Mg\n0.666668 0.333333 0.833333 Mg\n",
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{
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"structure_string": "La1 Fe2 Si2\n1.0\n3.810589 -0.000000 -1.412753\n-0.523770 3.774421 -1.412753\n-0.033238 -0.038168 5.755837\nLa Fe Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 La\n0.750000 0.250000 0.500001 Fe\n0.250000 0.750000 0.500001 Fe\n0.645344 0.645344 0.290689 Si\n0.354655 0.354655 0.709313 Si\n",
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"formula_full": "La1 Fe2 Si2",
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{
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"updated_at": "2022-09-04T14:36:14.238885Z",
"structure_string": "Be1 Re4 Si1\n1.0\n0.000000 3.635862 3.635862\n3.635862 0.000000 3.635862\n3.635862 3.635862 0.000000\nBe Re Si\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.124116 0.625294 0.625294 Re\n0.625294 0.625294 0.625294 Re\n0.625294 0.124116 0.625294 Re\n0.625294 0.625294 0.124116 Re\n0.250000 0.250000 0.250000 Si\n",
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"volume": 96.12850075677065,
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"formula_full": "Be1 Re4 Si1",
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{
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"created_at": "2022-09-04T14:36:14.235268Z",
"updated_at": "2022-09-04T14:36:14.235290Z",
"structure_string": "Ca1 Be1 Tl2\n1.0\n3.598642 0.000000 -0.000000\n-0.000000 3.598642 -0.000000\n0.000000 0.000000 7.502413\nCa Be Tl\n1 1 2\ndirect\n0.500000 0.500000 0.720857 Ca\n0.000000 0.000000 0.465166 Be\n0.000000 0.000000 0.012268 Tl\n0.500000 0.500000 0.301710 Tl\n",
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"formula_full": "Ca1 Be1 Tl2",
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{
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"created_at": "2022-09-04T14:36:14.232972Z",
"updated_at": "2022-09-04T14:36:14.232996Z",
"structure_string": "Fe2 Sb4\n1.0\n-0.000000 0.000000 -5.644291\n-3.296598 3.296598 -2.822146\n3.296598 3.296598 -2.822146\nFe Sb\n2 4\ndirect\n0.750000 -0.000000 -0.000000 Fe\n0.250000 -0.000000 -0.000000 Fe\n0.337251 0.500000 0.825499 Sb\n0.662750 0.500000 0.174501 Sb\n0.837250 0.825499 0.500000 Sb\n0.162750 0.174501 0.500000 Sb\n",
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{
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"created_at": "2022-09-04T14:36:14.230905Z",
"updated_at": "2022-09-04T14:36:14.230925Z",
"structure_string": "Pt2 N2\n1.0\n1.550081 -2.684818 0.000000\n1.550081 2.684818 -0.000000\n-0.000000 -0.000000 5.512244\nPt N\n2 2\ndirect\n0.000000 0.000000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.666667 0.333333 0.749999 N\n0.333333 0.666667 0.250000 N\n",
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{
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"created_at": "2022-09-04T14:36:14.225568Z",
"updated_at": "2022-09-04T14:36:14.225578Z",
"structure_string": "Ba4 Bi1 Br1\n1.0\n-0.000000 5.033477 5.033477\n5.033477 -0.000000 5.033477\n5.033477 5.033477 0.000000\nBa Bi Br\n4 1 1\ndirect\n0.128055 0.623982 0.623982 Ba\n0.623982 0.623982 0.623982 Ba\n0.623982 0.128055 0.623982 Ba\n0.623982 0.623982 0.128055 Ba\n0.250000 0.250000 0.250000 Bi\n0.000000 0.000000 0.000000 Br\n",
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"formula_full": "Ba4 Bi1 Br1",
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{
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"created_at": "2022-09-04T14:36:14.221021Z",
"updated_at": "2022-09-04T14:36:14.221036Z",
"structure_string": "Mn1 Zn1 Se2\n1.0\n3.931627 0.004968 5.921543\n1.790508 3.500256 5.921543\n0.008110 0.004968 7.107904\nMn Zn Se\n1 1 2\ndirect\n0.000696 0.000696 0.000696 Mn\n0.499974 0.499975 0.499972 Zn\n0.126230 0.126230 0.126229 Se\n0.623102 0.623103 0.623099 Se\n",
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{
"id": "jvasp-42891",
"created_at": "2022-09-04T14:36:14.217775Z",
"updated_at": "2022-09-04T14:36:14.217788Z",
"structure_string": "Li1 Mn1 Pd2\n1.0\n-0.000000 3.048087 3.048087\n3.048087 -0.000000 3.048087\n3.048087 3.048087 0.000000\nLi Mn Pd\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Li\n0.750001 0.750001 0.750001 Mn\n0.000000 0.000000 0.000000 Pd\n0.500001 0.500001 0.500001 Pd\n",
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{
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"created_at": "2022-09-04T14:36:14.217255Z",
"updated_at": "2022-09-04T14:36:14.217275Z",
"structure_string": "Rb1 Tl1 F3\n1.0\n-0.012580 -4.698367 -0.062333\n-4.698945 0.011822 -0.032655\n0.034087 0.062923 -4.698901\nRb Tl F\n1 1 3\ndirect\n0.989919 0.997616 0.991079 Rb\n0.488281 0.499652 0.496920 Tl\n0.486470 0.999818 0.502175 F\n0.988149 0.501133 0.502427 F\n0.487187 0.501777 0.997398 F\n",
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{
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"created_at": "2022-09-04T14:36:14.211190Z",
"updated_at": "2022-09-04T14:36:14.211230Z",
"structure_string": "La1 Ni2 Ge2\n1.0\n4.214515 0.000000 0.000000\n0.000000 4.214515 0.000000\n-2.107257 -2.107257 4.972432\nLa Ni Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 La\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n0.635168 0.635168 0.270333 Ge\n0.364833 0.364833 0.729667 Ge\n",
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