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{
"id": "jvasp-15207",
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"updated_at": "2022-09-04T14:36:36.199388Z",
"structure_string": "Th1 Cr2 Ge2\n1.0\n3.897591 -0.000000 -1.382906\n-0.490669 3.866582 -1.382906\n-0.025973 -0.029477 6.110750\nTh Cr Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.250000 0.749999 0.499999 Cr\n0.750000 0.249999 0.499999 Cr\n0.624497 0.624496 0.248994 Ge\n0.375503 0.375502 0.751005 Ge\n",
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"structure_string": "Li2 Fe1 O2\n1.0\n3.088222 -0.000000 -0.000000\n-1.544111 2.672472 0.000344\n-0.000000 -0.001372 5.236962\nLi Fe O\n2 1 2\ndirect\n0.333264 0.666610 0.636585 Li\n0.666655 0.333390 0.363413 Li\n0.999959 0.000000 0.000000 Fe\n0.333195 0.666471 0.245662 O\n0.666724 0.333529 0.754337 O\n",
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"structure_string": "Zn1 Ga1 Ir2\n1.0\n0.000000 3.042553 3.042553\n3.042553 0.000000 3.042553\n3.042553 3.042553 -0.000000\nZn Ga Ir\n1 1 2\ndirect\n0.749998 0.749998 0.749998 Zn\n0.250001 0.250001 0.250001 Ga\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Ir\n",
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{
"id": "jvasp-99458",
"created_at": "2022-09-04T14:36:36.879203Z",
"updated_at": "2022-09-04T14:36:36.879226Z",
"structure_string": "Na3 In1 Br6\n1.0\n6.694346 -0.000000 3.864983\n2.231449 6.311490 3.864983\n-0.000000 -0.000000 7.729965\nNa In Br\n3 1 6\ndirect\n0.750001 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 In\n0.755743 0.244257 0.244257 Br\n0.244257 0.244257 0.755743 Br\n0.244257 0.755743 0.755743 Br\n0.244257 0.755743 0.244257 Br\n0.755743 0.244257 0.755743 Br\n0.755744 0.755743 0.244256 Br\n",
"nsites": 10,
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"volume": 326.60105347329994,
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{
"id": "jvasp-79077",
"created_at": "2022-09-04T14:36:37.002077Z",
"updated_at": "2022-09-04T14:36:37.002096Z",
"structure_string": "Ta2 Tc1 Mo1\n1.0\n0.000000 3.205994 3.205994\n3.205994 -0.000000 3.205994\n3.205994 3.205994 0.000000\nTa Tc Mo\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.499999 0.499999 0.499999 Ta\n0.749998 0.749998 0.749998 Tc\n0.249999 0.249999 0.249999 Mo\n",
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{
"id": "jvasp-15662",
"created_at": "2022-09-04T14:36:37.085354Z",
"updated_at": "2022-09-04T14:36:37.085383Z",
"structure_string": "Ce1 B2 Ru3\n1.0\n2.770578 -4.798782 0.000000\n2.770578 4.798782 0.000000\n0.000000 0.000000 3.017937\nCe B Ru\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.333333 0.666667 0.000000 B\n0.666667 0.333333 0.000000 B\n0.000000 0.500000 0.500000 Ru\n0.500000 0.500000 0.500000 Ru\n0.500000 0.000000 0.500000 Ru\n",
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{
"id": "jvasp-96913",
"created_at": "2022-09-04T14:36:36.204166Z",
"updated_at": "2022-09-04T14:36:36.204193Z",
"structure_string": "Ba4 P12 Pt8\n1.0\n5.843420 0.000000 0.000000\n0.000000 8.088078 -2.433852\n0.000000 0.001191 11.719063\nBa P Pt\n4 12 8\ndirect\n0.412544 0.240504 0.852605 Ba\n0.587456 0.759496 0.147395 Ba\n0.912544 0.759496 0.647395 Ba\n0.087456 0.240504 0.352605 Ba\n0.384450 0.725251 0.417228 P\n0.346399 0.454886 0.674830 P\n0.153601 0.454886 0.174830 P\n0.653601 0.545114 0.325170 P\n0.620127 0.932197 0.928175 P\n0.120127 0.067803 0.571825 P\n0.379873 0.067803 0.071825 P\n0.879873 0.932197 0.428175 P\n0.115550 0.725251 0.917228 P\n0.615550 0.274749 0.582772 P\n0.884450 0.274749 0.082772 P\n0.846399 0.545114 0.825170 P\n0.516532 0.337660 0.161300 Pt\n0.500000 -0.000000 0.500000 Pt\n0.000000 0.500000 0.000000 Pt\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.483468 0.662340 0.838700 Pt\n0.983468 0.337660 0.661300 Pt\n0.016532 0.662340 0.338700 Pt\n",
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"volume": 553.883724568765,
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{
"id": "jvasp-7854",
"created_at": "2022-09-04T14:36:36.270542Z",
"updated_at": "2022-09-04T14:36:36.270565Z",
"structure_string": "Li2 Mn2 O4\n1.0\n2.815196 0.000000 0.000000\n0.000000 4.668048 0.000000\n0.000000 0.000000 5.713332\nLi Mn O\n2 2 4\ndirect\n0.500001 0.500000 0.878622 Li\n0.000000 0.000000 0.121378 Li\n0.500001 0.500000 0.362681 Mn\n0.000000 0.000000 0.637318 Mn\n0.500001 0.000000 0.862874 O\n0.000000 0.500000 0.600284 O\n0.500001 0.000000 0.399716 O\n0.000000 0.500000 0.137126 O\n",
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"formula_full": "Li2 Mn2 O4",
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"spacegroup": 59
},
{
"id": "jvasp-15501",
"created_at": "2022-09-04T14:36:36.279683Z",
"updated_at": "2022-09-04T14:36:36.279722Z",
"structure_string": "Tl1 Cu2 Se2\n1.0\n3.747028 0.000000 -0.992174\n-0.262717 3.737806 -0.992174\n0.021500 0.023065 7.652768\nTl Cu Se\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.250000 0.750001 0.500001 Cu\n0.750000 0.250001 0.500001 Cu\n0.641469 0.641470 0.282937 Se\n0.358531 0.358533 0.717064 Se\n",
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{
"id": "jvasp-15570",
"created_at": "2022-09-04T14:36:36.287805Z",
"updated_at": "2022-09-04T14:36:36.287815Z",
"structure_string": "Ti1 Al1 Co2\n1.0\n3.564817 -0.000000 2.058148\n1.188272 3.360942 2.058148\n-0.000000 0.000000 4.116296\nTi Al Co\n1 1 2\ndirect\n0.500000 0.500000 0.500001 Ti\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250001 Co\n0.750000 0.750000 0.750002 Co\n",
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{
"id": "jvasp-51020",
"created_at": "2022-09-04T14:36:36.307930Z",
"updated_at": "2022-09-04T14:36:36.307962Z",
"structure_string": "Sr2 H8 O6\n1.0\n0.000000 3.678891 -0.005700\n6.658348 0.000000 0.000000\n0.000000 -0.009845 -6.161913\nSr H O\n2 8 6\ndirect\n0.999957 0.750852 0.370886 Sr\n0.000044 0.250852 0.629113 Sr\n0.789079 0.828319 0.878752 H\n0.210698 0.828369 0.878838 H\n0.210922 0.328319 0.121247 H\n0.789303 0.328369 0.121161 H\n0.499681 0.596848 0.031435 H\n0.500320 0.096848 0.968565 H\n0.500009 0.601601 0.706157 H\n0.499992 0.101601 0.293843 H\n0.999907 0.876514 0.785785 O\n0.000094 0.376514 0.214214 O\n0.499895 0.741740 0.057655 O\n0.500106 0.241740 0.942345 O\n0.499994 0.535360 0.564538 O\n0.500007 0.035360 0.435461 O\n",
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{
"id": "jvasp-101705",
"created_at": "2022-09-04T14:36:36.312694Z",
"updated_at": "2022-09-04T14:36:36.312722Z",
"structure_string": "Na2 Mn3 Te4\n1.0\n7.992843 0.032908 3.826497\n6.741026 4.294788 3.826497\n0.024061 0.007067 7.781267\nNa Mn Te\n2 3 4\ndirect\n0.237382 0.237383 0.767272 Na\n0.744631 0.744633 0.246269 Na\n0.573335 0.573337 0.770069 Mn\n0.940193 0.940195 0.709031 Mn\n0.447644 0.447645 0.237279 Mn\n0.869536 0.869538 0.458004 Te\n0.384428 0.384429 0.952326 Te\n0.117536 0.117537 0.536861 Te\n0.620519 0.620520 0.051893 Te\n",
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