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{
"id": "jvasp-92527",
"created_at": "2022-09-04T14:36:22.235717Z",
"updated_at": "2022-09-04T14:36:22.235748Z",
"structure_string": "Sm1 Mg2 Sb2\n1.0\n-2.335079 -4.044589 -0.000062\n-2.335177 4.044645 -0.000000\n-0.000086 -0.000050 -7.356414\nSm Mg Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.333338 0.666670 0.641332 Mg\n0.666663 0.333332 0.358667 Mg\n0.333327 0.666665 0.245216 Sb\n0.666674 0.333337 0.754783 Sb\n",
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{
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"structure_string": "Ba1 Sn3 Au1\n1.0\n5.109643 -0.000000 -0.000000\n-0.000000 5.109643 -0.000000\n-2.554821 -2.554821 5.623907\nBa Sn Au\n1 3 1\ndirect\n-0.000457 -0.000457 -0.000914 Ba\n0.600911 0.600911 0.201823 Sn\n0.249902 0.749901 0.499804 Sn\n0.749901 0.249902 0.499804 Sn\n0.357632 0.357632 0.715263 Au\n",
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{
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"structure_string": "Yb1 Mg2 Bi2\n1.0\n-2.377592 -4.118143 -0.000006\n-2.377621 4.118160 0.000000\n-0.000009 -0.000005 -7.663827\nYb Mg Bi\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.666665 0.333334 0.628945 Mg\n0.333334 0.666667 0.371056 Mg\n0.666665 0.333333 0.236413 Bi\n0.333334 0.666668 0.763588 Bi\n",
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"formula_full": "Yb1 Mg2 Bi2",
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{
"id": "jvasp-92524",
"created_at": "2022-09-04T14:36:12.067582Z",
"updated_at": "2022-09-04T14:36:12.067614Z",
"structure_string": "Cr1 Pb1 O3\n1.0\n3.870612 0.000000 -0.000000\n0.000000 3.870612 0.000000\n-0.000000 0.000000 3.870612\nCr Pb O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
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"density": 8.79677197142912,
"density_atomic": 0.08622458011733294,
"volume": 57.988104937085055,
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"formula_full": "Cr1 Pb1 O3",
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"spacegroup": 221
},
{
"id": "jvasp-92523",
"created_at": "2022-09-04T14:36:08.231803Z",
"updated_at": "2022-09-04T14:36:08.231834Z",
"structure_string": "Ca2 Mg1 Pd2\n1.0\n-4.319684 -0.000000 0.000000\n-2.159842 -2.968798 4.412140\n-2.159842 2.968798 4.412140\nCa Mg Pd\n2 1 2\ndirect\n0.800406 0.699593 0.699593 Ca\n0.199593 0.300407 0.300407 Ca\n0.000000 0.000000 0.000000 Mg\n0.499999 0.265214 0.734786 Pd\n0.499999 0.734786 0.265214 Pd\n",
"nsites": 5,
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"formula_full": "Ca2 Mg1 Pd2",
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{
"id": "jvasp-92522",
"created_at": "2022-09-04T14:36:04.573446Z",
"updated_at": "2022-09-04T14:36:04.573473Z",
"structure_string": "Ho2 In1 Ni2\n1.0\n0.000000 0.000000 -3.625700\n-3.887830 -0.000000 0.000000\n1.943916 7.095792 0.000000\nHo In Ni\n2 1 2\ndirect\n0.500000 0.638578 0.277159 Ho\n0.500000 0.361420 0.722841 Ho\n0.000000 0.000000 0.000000 In\n0.000000 0.801737 0.603477 Ni\n0.000000 0.198261 0.396522 Ni\n",
"nsites": 5,
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"elements": [
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"formula_full": "Ho2 In1 Ni2",
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{
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"created_at": "2022-09-04T14:36:02.720521Z",
"updated_at": "2022-09-04T14:36:02.720543Z",
"structure_string": "Sm1 Mg2 Bi2\n1.0\n-2.410993 -4.176095 -0.000044\n-2.411108 4.176162 0.000000\n-0.000040 -0.000024 -7.435650\nSm Mg Bi\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.333345 0.666673 0.644095 Mg\n0.666654 0.333328 0.355904 Mg\n0.333326 0.666664 0.242118 Bi\n0.666673 0.333337 0.757881 Bi\n",
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"formula_full": "Sm1 Mg2 Bi2",
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{
"id": "jvasp-92520",
"created_at": "2022-09-04T14:35:58.952394Z",
"updated_at": "2022-09-04T14:35:58.952420Z",
"structure_string": "Sr1 Al1 H3\n1.0\n4.621686 -0.000000 -0.000000\n-0.000000 4.621686 -0.000000\n0.000000 0.000000 4.621686\nSr Al H\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 H\n0.500000 0.500000 0.000000 H\n0.500000 0.000000 0.500000 H\n",
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"formula_full": "Sr1 Al1 H3",
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"spacegroup": 221
},
{
"id": "jvasp-9252",
"created_at": "2022-09-04T14:38:11.641024Z",
"updated_at": "2022-09-04T14:38:11.641055Z",
"structure_string": "Mg4 Sn4 O8\n1.0\n3.323118 0.001056 -0.125259\n0.350445 8.353781 -0.233796\n0.320090 2.749427 8.909850\nMg Sn O\n4 4 8\ndirect\n0.247237 0.350941 0.006380 Mg\n0.728523 0.677267 0.973535 Mg\n0.673808 0.123064 0.778702 Mg\n0.301967 0.905133 0.201222 Mg\n0.069844 0.579325 0.291238 Sn\n0.768230 0.204920 0.314712 Sn\n0.207537 0.823286 0.665200 Sn\n0.905914 0.448877 0.688679 Sn\n0.200181 0.588104 0.843632 O\n0.805117 0.810497 0.305328 O\n0.170655 0.217704 0.674595 O\n0.775582 0.440104 0.136281 O\n0.232615 0.741375 0.080801 O\n0.277652 0.143982 0.186340 O\n0.743144 0.286830 0.899116 O\n0.698114 0.884221 0.793572 O\n",
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"density": 4.655653316855674,
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"volume": 249.6897705350582,
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"formula_full": "Mg4 Sn4 O8",
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},
{
"id": "jvasp-92519",
"created_at": "2022-09-04T14:35:55.203088Z",
"updated_at": "2022-09-04T14:35:55.203123Z",
"structure_string": "Ba1 Mn2 Bi2\n1.0\n4.599884 0.000000 -0.000000\n0.000000 4.599884 -0.000000\n-2.299943 -2.299943 6.842013\nBa Mn Bi\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.750000 0.500000 Mn\n0.750000 0.250000 0.500000 Mn\n0.631079 0.631079 0.262159 Bi\n0.368921 0.368921 0.737840 Bi\n",
"nsites": 5,
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"formula_full": "Ba1 Mn2 Bi2",
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},
{
"id": "jvasp-92518",
"created_at": "2022-09-04T14:35:50.101300Z",
"updated_at": "2022-09-04T14:35:50.101330Z",
"structure_string": "Ca2 Mg1 Pt2\n1.0\n-4.304620 -0.000000 0.000000\n-2.152309 -2.942742 4.357622\n-2.152309 2.942742 4.357622\nCa Mg Pt\n2 1 2\ndirect\n0.799867 0.700133 0.700133 Ca\n0.200134 0.299867 0.299867 Ca\n0.000000 0.000000 0.000000 Mg\n0.500000 0.267816 0.732184 Pt\n0.500000 0.732184 0.267816 Pt\n",
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{
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"created_at": "2022-09-04T14:35:44.098905Z",
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"structure_string": "Sr1 Si3 Au1\n1.0\n4.475168 0.000000 0.000000\n0.000000 4.475168 0.000000\n-2.237583 -2.237583 4.978424\nSr Si Au\n1 3 1\ndirect\n0.999711 0.999711 0.999420 Sr\n0.378583 0.378583 0.757165 Si\n0.755721 0.255721 0.511440 Si\n0.255721 0.755721 0.511440 Si\n0.632767 0.632767 0.265531 Au\n",
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"formula_full": "Sr1 Si3 Au1",
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}
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