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{
"id": "jvasp-63951",
"created_at": "2022-09-04T14:36:12.045194Z",
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"structure_string": "Ba4 Co1 Hg1\n1.0\n-0.000000 4.890561 4.890561\n4.890561 -0.000000 4.890561\n4.890561 4.890561 0.000000\nBa Co Hg\n4 1 1\ndirect\n0.126286 0.624571 0.624571 Ba\n0.624571 0.624571 0.624571 Ba\n0.624571 0.126286 0.624571 Ba\n0.624571 0.624571 0.126286 Ba\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Hg\n",
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"structure_string": "Ba4 Rh1 Se1\n1.0\n-0.000000 4.776169 4.776169\n4.776169 -0.000000 4.776169\n4.776169 4.776169 0.000000\nBa Rh Se\n4 1 1\ndirect\n0.125483 0.624839 0.624839 Ba\n0.624839 0.624839 0.624839 Ba\n0.624839 0.125483 0.624839 Ba\n0.624839 0.624839 0.125483 Ba\n0.250000 0.250000 0.250000 Rh\n0.000000 0.000000 0.000000 Se\n",
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{
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"structure_string": "Ba4 Mg1 Sb1\n1.0\n-0.000000 5.071224 5.071224\n5.071224 -0.000000 5.071224\n5.071224 5.071224 -0.000000\nBa Mg Sb\n4 1 1\ndirect\n0.120181 0.626605 0.626605 Ba\n0.626605 0.626605 0.626605 Ba\n0.626605 0.120181 0.626605 Ba\n0.626605 0.626605 0.120181 Ba\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Sb\n",
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{
"id": "jvasp-65204",
"created_at": "2022-09-04T14:36:12.052724Z",
"updated_at": "2022-09-04T14:36:12.052738Z",
"structure_string": "Ti1 Be1 Sn4\n1.0\n-0.000000 4.240012 4.240012\n4.240012 -0.000000 4.240012\n4.240012 4.240012 0.000000\nTi Be Sn\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ti\n0.000000 0.000000 0.000000 Be\n0.125278 0.624907 0.624907 Sn\n0.624907 0.624907 0.624907 Sn\n0.624907 0.125278 0.624907 Sn\n0.624907 0.624907 0.125278 Sn\n",
"nsites": 6,
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"density_atomic": 0.039356819729516455,
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{
"id": "jvasp-64966",
"created_at": "2022-09-04T14:36:12.058713Z",
"updated_at": "2022-09-04T14:36:12.058733Z",
"structure_string": "Li1 Be1 Fe4\n1.0\n0.000000 3.275535 3.275535\n3.275535 -0.000000 3.275535\n3.275535 3.275535 0.000000\nLi Be Fe\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Be\n0.124617 0.625126 0.625126 Fe\n0.625126 0.625126 0.625126 Fe\n0.625126 0.124617 0.625126 Fe\n0.625126 0.625126 0.124617 Fe\n",
"nsites": 6,
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"elements": [
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{
"id": "jvasp-64219",
"created_at": "2022-09-04T14:36:12.081557Z",
"updated_at": "2022-09-04T14:36:12.081585Z",
"structure_string": "Ba4 Sc1 Hg1\n1.0\n0.000000 5.104469 5.104469\n5.104469 -0.000000 5.104469\n5.104469 5.104469 -0.000000\nBa Sc Hg\n4 1 1\ndirect\n0.125654 0.624782 0.624782 Ba\n0.624782 0.624782 0.624782 Ba\n0.624782 0.125654 0.624782 Ba\n0.624782 0.624782 0.125654 Ba\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Hg\n",
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{
"id": "jvasp-19096",
"created_at": "2022-09-04T14:36:35.166318Z",
"updated_at": "2022-09-04T14:36:35.166346Z",
"structure_string": "Sr4 Se4 O16\n1.0\n0.000000 6.919535 0.030696\n7.384628 0.000000 0.000000\n0.000000 -5.236719 -6.964168\nSr Se O\n4 4 16\ndirect\n0.823669 0.656201 0.721971 Sr\n0.176331 0.156200 0.778029 Sr\n0.176331 0.343800 0.278029 Sr\n0.823669 0.843800 0.221970 Sr\n0.310831 0.664677 0.694692 Se\n0.689169 0.164677 0.805308 Se\n0.689169 0.335323 0.305308 Se\n0.310831 0.835323 0.194691 Se\n0.883750 0.160579 0.385748 O\n0.116250 0.660579 0.114252 O\n0.191020 0.503429 0.748104 O\n0.808981 0.003429 0.751896 O\n0.808981 0.496571 0.251896 O\n0.191020 0.996571 0.248104 O\n0.331065 0.889725 0.018507 O\n0.595407 0.785672 0.378954 O\n0.668935 0.110275 0.981493 O\n0.331065 0.610275 0.518507 O\n0.883750 0.339421 0.885748 O\n0.404594 0.285672 0.121046 O\n0.404594 0.214328 0.621046 O\n0.595407 0.714329 0.878954 O\n0.668935 0.389725 0.481493 O\n0.116250 0.839421 0.614252 O\n",
"nsites": 24,
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"formula_full": "Sr4 Se4 O16",
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{
"id": "jvasp-103379",
"created_at": "2022-09-04T14:36:34.107193Z",
"updated_at": "2022-09-04T14:36:34.107217Z",
"structure_string": "Tm1 In1 Co4\n1.0\n4.283531 -0.000000 2.473098\n1.427844 4.038552 2.473098\n-0.000000 -0.000000 4.946195\nTm In Co\n1 1 4\ndirect\n0.749999 0.750000 0.750002 Tm\n0.000000 0.000000 0.000000 In\n0.374587 0.374588 0.374589 Co\n0.876235 0.374588 0.374589 Co\n0.374587 0.876235 0.374589 Co\n0.374587 0.374588 0.876237 Co\n",
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"spacegroup": 216
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{
"id": "jvasp-42670",
"created_at": "2022-09-04T14:36:12.183714Z",
"updated_at": "2022-09-04T14:36:12.183740Z",
"structure_string": "Hf2 Nb2 O8\n1.0\n-2.723071 5.222758 2.531823\n2.374114 -5.222758 2.573170\n2.723071 5.222758 -2.531823\nHf Nb O\n2 2 8\ndirect\n0.381326 0.749999 0.131326 Hf\n0.618674 0.250000 0.868673 Hf\n0.857086 0.749999 0.607085 Nb\n0.142915 0.250000 0.392914 Nb\n0.012850 0.722005 0.266026 O\n0.455978 0.222005 0.209157 O\n0.758677 0.793040 0.100133 O\n0.692908 0.293041 0.534363 O\n0.307093 0.706958 0.465635 O\n0.241323 0.206959 0.899866 O\n0.544022 0.777994 0.790842 O\n0.987150 0.277994 0.733973 O\n",
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"volume": 135.97723117414094,
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{
"id": "jvasp-63993",
"created_at": "2022-09-04T14:36:12.205233Z",
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"structure_string": "Ba4 Hf1 Sc1\n1.0\n-0.000000 4.980870 4.980870\n4.980870 0.000000 4.980870\n4.980870 4.980870 -0.000000\nBa Hf Sc\n4 1 1\ndirect\n0.126399 0.624534 0.624534 Ba\n0.624534 0.624534 0.624534 Ba\n0.624534 0.126399 0.624534 Ba\n0.624534 0.624534 0.126399 Ba\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Sc\n",
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{
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"created_at": "2022-09-04T14:36:12.207953Z",
"updated_at": "2022-09-04T14:36:12.207981Z",
"structure_string": "Ba4 Tl1 Re1\n1.0\n0.000000 4.793303 4.793303\n4.793303 -0.000000 4.793303\n4.793303 4.793303 -0.000000\nBa Tl Re\n4 1 1\ndirect\n0.127484 0.624172 0.624172 Ba\n0.624172 0.624172 0.624172 Ba\n0.624172 0.127484 0.624172 Ba\n0.624172 0.624172 0.127484 Ba\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Re\n",
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{
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"created_at": "2022-09-04T14:36:12.222326Z",
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"structure_string": "Ba4 Be1 Bi1\n1.0\n-0.000000 5.006229 5.006229\n5.006229 0.000000 5.006229\n5.006229 5.006229 -0.000000\nBa Be Bi\n4 1 1\ndirect\n0.122115 0.625962 0.625962 Ba\n0.625962 0.625962 0.625962 Ba\n0.625962 0.122115 0.625962 Ba\n0.625962 0.625962 0.122115 Ba\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 Bi\n",
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