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{
"id": "jvasp-120892",
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"structure_string": "Mn1 Bi1 O4\n1.0\n4.605873 0.000000 -0.238171\n0.000000 3.195883 0.000000\n-2.221764 0.000000 5.201811\nMn Bi O\n1 1 4\ndirect\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Bi\n0.739198 0.000000 0.213637 O\n0.727768 0.500000 0.801163 O\n0.260801 0.000000 0.786362 O\n0.272232 0.500000 0.198836 O\n",
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{
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"structure_string": "Ir2 O4\n1.0\n3.680631 0.000000 -1.361142\n-0.503366 3.646048 -1.361142\n-0.021607 -0.024794 5.598500\nIr O\n2 4\ndirect\n0.874999 0.625001 0.250000 Ir\n0.124999 0.375001 0.750000 Ir\n0.335676 0.585677 0.171352 O\n0.085675 0.835678 0.671352 O\n0.914323 0.164324 0.328649 O\n0.664322 0.414325 0.828649 O\n",
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{
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"structure_string": "Ba1 C1 O3\n1.0\n4.112989 -0.277849 1.199445\n0.822218 4.039535 1.199445\n-0.364530 -0.277849 4.268779\nBa C O\n1 1 3\ndirect\n0.030132 0.030132 0.030132 Ba\n0.466863 0.466862 0.466862 C\n0.187359 0.601823 0.601824 O\n0.601824 0.187358 0.601824 O\n0.601825 0.601823 0.187357 O\n",
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"volume": 74.8835139117534,
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{
"id": "jvasp-37675",
"created_at": "2022-09-04T14:37:56.340497Z",
"updated_at": "2022-09-04T14:37:56.340520Z",
"structure_string": "Na1 Pd2 Pb1\n1.0\n0.000000 3.345596 3.345596\n3.345596 -0.000000 3.345596\n3.345596 3.345596 0.000000\nNa Pd Pb\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Pd\n0.500001 0.500001 0.500001 Pd\n0.750001 0.750001 0.750001 Pb\n",
"nsites": 4,
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"density": 9.822714529165452,
"density_atomic": 0.053408392538956344,
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"spacegroup": 225
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{
"id": "jvasp-120338",
"created_at": "2022-09-04T14:38:48.060027Z",
"updated_at": "2022-09-04T14:38:48.060055Z",
"structure_string": "Mg1 Se2\n1.0\n6.905109 0.974998 0.542946\n-2.047179 -3.538861 0.157015\n-2.269070 -1.521114 -3.398516\nMg Se\n1 2\ndirect\n0.095380 0.082549 0.113397 Mg\n0.350963 0.956625 0.931666 Se\n0.839893 0.208587 0.295163 Se\n",
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"volume": 74.89621062516261,
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"formula_full": "Mg1 Se2",
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{
"id": "jvasp-71172",
"created_at": "2022-09-04T14:35:47.953927Z",
"updated_at": "2022-09-04T14:35:47.953959Z",
"structure_string": "Ca1 Be1 Ga2\n1.0\n3.344660 0.000000 0.000000\n0.000000 3.344660 -0.000000\n0.000000 0.000000 6.696107\nCa Be Ga\n1 1 2\ndirect\n0.500000 0.500000 0.739447 Ca\n0.000000 0.000000 0.422007 Be\n0.000000 0.000000 0.051807 Ga\n0.500000 0.500000 0.286739 Ga\n",
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{
"id": "jvasp-8708",
"created_at": "2022-09-04T14:36:48.127043Z",
"updated_at": "2022-09-04T14:36:48.127066Z",
"structure_string": "Ho1 Sn1 Au1\n1.0\n4.097743 0.000000 2.365834\n1.365914 3.863390 2.365834\n-0.000000 -0.000000 4.731666\nHo Sn Au\n1 1 1\ndirect\n0.499999 0.500000 0.500000 Ho\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Au\n",
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{
"id": "jvasp-20067",
"created_at": "2022-09-04T14:36:04.756554Z",
"updated_at": "2022-09-04T14:36:04.756580Z",
"structure_string": "K1 B6\n1.0\n4.215454 0.000000 0.000000\n0.000000 4.215454 -0.000000\n0.000000 0.000000 4.215454\nK B\n1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.698708 0.000000 0.000000 B\n0.301291 0.000000 0.000000 B\n0.000000 0.000000 0.698708 B\n0.000000 0.000000 0.301291 B\n0.000000 0.301291 0.000000 B\n0.000000 0.698708 0.000000 B\n",
"nsites": 7,
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},
{
"id": "jvasp-37102",
"created_at": "2022-09-04T14:35:55.106406Z",
"updated_at": "2022-09-04T14:35:55.106436Z",
"structure_string": "Sc2 Mn1 Sn1\n1.0\n3.345845 3.345845 0.000000\n3.345845 0.000000 -3.345845\n0.000000 3.345845 -3.345845\nSc Mn Sn\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.749999 0.749999 0.749999 Sc\n0.499999 0.499999 0.499999 Mn\n0.250000 0.250000 0.250000 Sn\n",
"nsites": 4,
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"formula_full": "Sc2 Mn1 Sn1",
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},
{
"id": "jvasp-94309",
"created_at": "2022-09-04T14:36:13.118394Z",
"updated_at": "2022-09-04T14:36:13.118427Z",
"structure_string": "Te2 O4\n1.0\n-3.325733 -0.000000 -0.000000\n0.000000 0.000000 -3.419401\n1.662867 -6.587391 0.000000\nTe O\n2 4\ndirect\n0.142505 0.250000 0.285013 Te\n0.857493 0.750000 0.714987 Te\n0.249986 0.750000 0.499973 O\n0.750012 0.250000 0.500027 O\n0.407424 0.250000 0.814851 O\n0.592574 0.750000 0.185149 O\n",
"nsites": 6,
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},
{
"id": "jvasp-103552",
"created_at": "2022-09-04T14:36:50.726860Z",
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"structure_string": "Li1 Ag1 F4\n1.0\n4.609476 -0.027403 0.502753\n0.206989 4.604908 0.502753\n-0.012927 -0.012286 3.525593\nLi Ag F\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.499999 Ag\n0.710202 0.710202 0.056506 F\n0.195073 0.804927 0.499999 F\n0.804927 0.195073 0.499999 F\n0.289798 0.289798 0.943491 F\n",
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{
"id": "jvasp-40481",
"created_at": "2022-09-04T14:37:54.870321Z",
"updated_at": "2022-09-04T14:37:54.870341Z",
"structure_string": "Li1 Ag1 F4\n1.0\n3.526899 -0.012674 -0.012841\n0.505201 4.607109 -0.028836\n0.500279 0.205638 4.605473\nLi Ag F\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500001 0.499999 Ag\n0.943573 0.288752 0.290918 F\n0.500318 0.803968 0.194163 F\n0.499683 0.196033 0.805836 F\n0.056428 0.711250 0.709081 F\n",
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