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{
"id": "jvasp-106589",
"created_at": "2022-09-04T14:37:01.407135Z",
"updated_at": "2022-09-04T14:37:01.407166Z",
"structure_string": "Pu6 Mg2\n1.0\n6.660482 0.000000 0.000000\n-3.330241 5.768147 0.000000\n-0.000000 -0.000000 5.378737\nPu Mg\n6 2\ndirect\n0.167855 0.335712 0.250000 Pu\n0.664289 0.832145 0.250000 Pu\n0.167856 0.832145 0.250000 Pu\n0.832144 0.167855 0.750000 Pu\n0.335712 0.167855 0.750000 Pu\n0.832145 0.664289 0.750000 Pu\n0.666667 0.333334 0.250000 Mg\n0.333334 0.666667 0.750000 Mg\n",
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{
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"structure_string": "Al1 Cr2\n1.0\n2.802135 -0.000000 -0.919656\n-0.301830 2.785831 -0.919656\n0.027108 0.030204 4.811386\nAl Cr\n1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.315076 0.315075 0.630154 Cr\n0.684922 0.684923 0.369845 Cr\n",
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{
"id": "jvasp-107558",
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"structure_string": "H3 Pd4\n1.0\n2.870793 -0.000401 9.149651\n1.401375 2.505515 9.149651\n-0.000683 -0.000401 9.589451\nH Pd\n3 4\ndirect\n0.262566 0.262566 0.262567 H\n0.499999 0.499999 0.500001 H\n0.737433 0.737432 0.737435 H\n0.125167 0.125167 0.125167 Pd\n0.874832 0.874832 0.874834 Pd\n0.374264 0.374263 0.374265 Pd\n0.625735 0.625735 0.625737 Pd\n",
"nsites": 7,
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"formula_full": "H3 Pd4",
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{
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"created_at": "2022-09-04T14:37:01.541245Z",
"updated_at": "2022-09-04T14:37:01.541272Z",
"structure_string": "Rb2 S1\n1.0\n4.734536 0.000000 2.733485\n1.578179 4.463763 2.733485\n0.000000 0.000000 5.466971\nRb S\n2 1\ndirect\n0.750001 0.749999 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 S\n",
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"volume": 115.53812658434612,
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"formula_full": "Rb2 S1",
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{
"id": "jvasp-102572",
"created_at": "2022-09-04T14:36:51.787492Z",
"updated_at": "2022-09-04T14:36:51.787509Z",
"structure_string": "Ti6 Si2\n1.0\n5.624652 -0.000000 0.000000\n-2.812326 4.871092 0.000000\n-0.000000 -0.000000 4.524186\nTi Si\n6 2\ndirect\n0.171028 0.342057 0.250000 Ti\n0.657942 0.828971 0.250000 Ti\n0.171028 0.828971 0.250000 Ti\n0.828970 0.657943 0.750001 Ti\n0.342057 0.171028 0.750001 Ti\n0.828971 0.171028 0.750001 Ti\n0.666666 0.333333 0.250000 Si\n0.333332 0.666666 0.750001 Si\n",
"nsites": 8,
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"elements": [
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"volume": 123.95454092127657,
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"formula_full": "Ti6 Si2",
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{
"id": "jvasp-8264",
"created_at": "2022-09-04T14:36:51.811226Z",
"updated_at": "2022-09-04T14:36:51.811257Z",
"structure_string": "Mn1 O2\n1.0\n5.096671 -0.462368 -0.273852\n4.540790 2.360311 -0.273852\n4.540790 0.894236 2.201455\nMn O\n1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.600999 0.600999 0.600999 O\n0.399001 0.399001 0.399001 O\n",
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{
"id": "jvasp-103694",
"created_at": "2022-09-04T14:36:50.894099Z",
"updated_at": "2022-09-04T14:36:50.894125Z",
"structure_string": "Mo1 Ir4\n1.0\n2.732204 0.000197 11.102736\n1.346191 2.377543 11.102736\n0.000339 0.000197 11.433971\nMo Ir\n1 4\ndirect\n0.000000 0.000000 0.000000 Mo\n0.600661 0.600662 0.600662 Ir\n0.199365 0.199365 0.199365 Ir\n0.800633 0.800636 0.800636 Ir\n0.399338 0.399339 0.399339 Ir\n",
"nsites": 5,
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{
"id": "jvasp-103257",
"created_at": "2022-09-04T14:37:05.068195Z",
"updated_at": "2022-09-04T14:37:05.068220Z",
"structure_string": "Hf2 H6\n1.0\n4.731555 0.000000 0.000000\n-2.365778 4.097647 -0.000000\n-0.000000 0.000000 3.232076\nHf H\n2 6\ndirect\n0.333333 0.666667 0.750001 Hf\n0.666668 0.333333 0.250000 Hf\n0.180544 0.361087 0.250000 H\n0.638914 0.819457 0.250000 H\n0.180544 0.819457 0.250000 H\n0.819457 0.638914 0.750001 H\n0.361087 0.180544 0.750001 H\n0.819457 0.180544 0.750001 H\n",
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{
"id": "jvasp-79624",
"created_at": "2022-09-04T14:36:50.412622Z",
"updated_at": "2022-09-04T14:36:50.412648Z",
"structure_string": "Ga2 P2\n1.0\n-1.937107 -3.355154 0.000000\n-1.937107 3.355154 0.000000\n0.000000 0.000000 -6.396111\nGa P\n2 2\ndirect\n0.333333 0.666669 0.499608 Ga\n0.666669 0.333333 0.999608 Ga\n0.333333 0.666669 0.125992 P\n0.666669 0.333333 0.625992 P\n",
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{
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"created_at": "2022-09-04T14:37:01.255563Z",
"updated_at": "2022-09-04T14:37:01.255588Z",
"structure_string": "Sr2 Al4\n1.0\n4.415863 0.000000 1.899773\n2.187895 5.617152 0.996460\n-0.012028 0.001272 6.109998\nSr Al\n2 4\ndirect\n0.450423 0.299576 0.799577 Sr\n0.549575 0.700423 0.200424 Sr\n0.161016 0.272586 0.405382 Al\n0.838982 0.727414 0.594619 Al\n0.838983 0.094618 0.227414 Al\n0.161015 0.905381 0.772587 Al\n",
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{
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"created_at": "2022-09-04T14:37:05.057660Z",
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"structure_string": "Ca2 C4\n1.0\n3.764497 0.000000 0.000000\n0.000000 4.869180 0.000000\n0.000000 0.000000 5.329022\nCa C\n2 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.000000 0.871313 0.500002 C\n0.500000 0.628687 0.000002 C\n0.500000 0.371313 -0.000002 C\n0.000000 0.128687 0.499998 C\n",
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{
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"created_at": "2022-09-04T14:36:51.730746Z",
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"structure_string": "Nd3 Ga1\n1.0\n4.834386 0.000000 0.000000\n-0.000000 4.834386 0.000000\n0.000000 -0.000000 4.834386\nNd Ga\n3 1\ndirect\n0.000000 0.500000 0.500000 Nd\n0.500000 0.500000 0.000000 Nd\n0.500000 0.000000 0.500000 Nd\n0.000000 0.000000 0.000000 Ga\n",
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