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{
"id": "jvasp-120499",
"created_at": "2022-09-04T14:38:53.089472Z",
"updated_at": "2022-09-04T14:38:53.089504Z",
"structure_string": "Sr4 Pr1 Mn5 O15\n1.0\n8.287450 -0.001035 2.220759\n6.513356 5.124257 2.220759\n-0.003705 -0.001283 6.641929\nSr Pr Mn O\n4 1 5 15\ndirect\n0.100108 0.100108 0.098792 Sr\n0.700197 0.700199 0.700386 Sr\n0.299802 0.299803 0.299615 Sr\n0.899891 0.899894 0.901208 Sr\n0.499999 0.500001 0.500000 Pr\n0.500000 0.500001 -0.000000 Mn\n0.299338 0.299339 0.801804 Mn\n0.899064 0.899066 0.400596 Mn\n0.100935 0.100936 0.599404 Mn\n0.700661 0.700663 0.198196 Mn\n0.599835 0.109622 0.599103 O\n0.000000 0.500000 -0.000000 O\n0.205536 0.697240 0.205850 O\n0.598272 0.598274 0.104980 O\n-0.000000 0.000000 0.500000 O\n0.798712 0.798714 0.305928 O\n0.697239 0.205537 0.205850 O\n0.401726 0.401728 0.895020 O\n0.500000 0.000000 0.000000 O\n0.890378 0.400165 0.400898 O\n0.794462 0.302762 0.794150 O\n0.109620 0.599837 0.599103 O\n0.302759 0.794465 0.794150 O\n0.201287 0.201288 0.694072 O\n0.400163 0.890380 0.400898 O\n",
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{
"id": "jvasp-121971",
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"updated_at": "2022-09-04T14:38:53.176981Z",
"structure_string": "Cu2 Ag1 Se2 O10\n1.0\n5.039285 0.078822 2.332764\n1.378266 4.847781 2.332764\n0.052741 0.040488 7.888775\nCu Ag Se O\n2 1 2 10\ndirect\n0.000000 0.500000 -0.000000 Cu\n0.500000 -0.000000 -0.000000 Cu\n0.500000 0.500000 0.500000 Ag\n0.080740 0.080740 0.694551 Se\n0.919260 0.919259 0.305449 Se\n0.170776 0.170776 0.830911 O\n0.829224 0.829224 0.169089 O\n0.214976 0.214976 0.457757 O\n0.785024 0.785024 0.542243 O\n0.719945 0.189973 0.749223 O\n0.189973 0.719945 0.749223 O\n0.280055 0.810027 0.250777 O\n0.810027 0.280054 0.250777 O\n0.674251 0.674251 0.947211 O\n0.325748 0.325748 0.052789 O\n",
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"volume": 190.928112495664,
"volume_molar": 7.665306456600025,
"formula_full": "Cu2 Ag1 Se2 O10",
"formula_reduced": "Cu2Ag(SeO5)2",
"formula_anonymous": "AB2C2D10",
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{
"id": "jvasp-120743",
"created_at": "2022-09-04T14:38:53.370640Z",
"updated_at": "2022-09-04T14:38:53.370668Z",
"structure_string": "Mn4 Ni1 O8\n1.0\n5.109946 -0.013723 2.810532\n1.921294 4.735015 2.810532\n0.093911 0.063059 5.720200\nMn Ni O\n4 1 8\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n-0.000000 0.499999 0.000000 Mn\n0.500000 0.000000 -0.000000 Mn\n0.500000 0.500000 -0.000000 Ni\n0.736783 0.736783 0.797163 O\n0.722732 0.236897 0.776176 O\n0.236896 0.722732 0.776176 O\n0.250718 0.250719 0.772086 O\n0.749282 0.749281 0.227913 O\n0.763104 0.277268 0.223823 O\n0.277268 0.763103 0.223824 O\n0.263217 0.263217 0.202837 O\n",
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"formula_full": "Mn4 Ni1 O8",
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"spacegroup": 12
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{
"id": "jvasp-119739",
"created_at": "2022-09-04T14:38:53.333089Z",
"updated_at": "2022-09-04T14:38:53.333119Z",
"structure_string": "Li2 Fe3 Co1 O8\n1.0\n5.027459 0.031960 2.839257\n-1.622788 4.598006 2.821706\n-0.018435 0.006670 5.602276\nLi Fe Co O\n2 3 1 8\ndirect\n0.500000 0.500000 0.500001 Li\n0.500000 0.000000 0.500001 Li\n-0.000000 0.500000 0.000000 Fe\n-0.000000 0.500000 0.500001 Fe\n-0.000000 0.000000 0.500001 Fe\n0.000000 0.000000 0.000000 Co\n0.205414 0.735310 0.027147 O\n0.205414 0.237543 0.027147 O\n0.215861 0.738940 0.522122 O\n0.215021 0.237598 0.524805 O\n0.784978 0.762403 0.475197 O\n0.784138 0.261061 0.477879 O\n0.794585 0.762458 0.972855 O\n0.794585 0.264691 0.972855 O\n",
"nsites": 14,
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"elements": [
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"formula_full": "Li2 Fe3 Co1 O8",
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{
"id": "jvasp-120937",
"created_at": "2022-09-04T14:38:53.634850Z",
"updated_at": "2022-09-04T14:38:53.634868Z",
"structure_string": "Na2 C1 N2\n1.0\n2.505020 -2.472838 0.004694\n2.505020 2.472838 0.004694\n-1.789941 0.000000 5.160019\nNa C N\n2 1 2\ndirect\n0.322497 0.322497 0.691586 Na\n0.677501 0.677501 0.308412 Na\n0.000000 0.000000 0.000000 C\n0.162759 0.162759 0.226670 N\n0.837240 0.837240 0.773329 N\n",
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"volume": 63.969118111834355,
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"formula_full": "Na2 C1 N2",
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},
{
"id": "jvasp-123685",
"created_at": "2022-09-04T14:38:55.079691Z",
"updated_at": "2022-09-04T14:38:55.079726Z",
"structure_string": "Nd1 Se2\n1.0\n2.235777 -3.785582 -0.603521\n2.160524 3.742135 -0.000000\n-0.727405 0.419967 5.872878\nNd Se\n1 2\ndirect\n-0.000000 0.333310 0.166667 Nd\n0.767861 0.717275 0.434174 Se\n0.232138 -0.050586 0.899160 Se\n",
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{
"id": "jvasp-122010",
"created_at": "2022-09-04T14:38:53.540109Z",
"updated_at": "2022-09-04T14:38:53.540125Z",
"structure_string": "Li7 Co5 O12\n1.0\n14.021765 0.000995 2.330816\n13.733696 2.827632 2.330816\n0.002206 0.000225 4.911518\nLi Co O\n7 5 12\ndirect\n0.250009 0.250007 0.749838 Li\n0.420576 0.420573 0.916787 Li\n0.579425 0.579426 0.083216 Li\n0.923423 0.923423 0.429527 Li\n0.076578 0.076576 0.570475 Li\n0.749992 0.749992 0.250165 Li\n0.500000 0.500000 0.500001 Li\n0.666790 0.666789 0.662469 Co\n0.333211 0.333210 0.337533 Co\n0.833334 0.833332 0.837172 Co\n0.000000 0.000000 0.000000 Co\n0.166667 0.166667 0.162830 Co\n0.960801 0.960800 0.736011 O\n0.368888 0.368886 0.636014 O\n0.537567 0.537566 0.808651 O\n0.703526 0.703524 0.961583 O\n0.039200 0.039199 0.263991 O\n0.203636 0.203634 0.460576 O\n0.868265 0.868266 0.138306 O\n0.131736 0.131733 0.861696 O\n0.296475 0.296475 0.038419 O\n0.462433 0.462434 0.191351 O\n0.796365 0.796365 0.539426 O\n0.631113 0.631113 0.363988 O\n",
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"volume": 194.65198703605503,
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"formula_full": "Li7 Co5 O12",
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{
"id": "jvasp-119731",
"created_at": "2022-09-04T14:38:53.644164Z",
"updated_at": "2022-09-04T14:38:53.644193Z",
"structure_string": "Co5 Bi1 O12\n1.0\n5.076849 -0.003524 -0.232428\n-2.551964 4.388837 -0.232428\n-0.445738 -0.774174 8.608013\nCo Bi O\n5 1 12\ndirect\n0.166536 0.833466 0.500000 Co\n0.666668 0.333334 -0.000000 Co\n0.333334 0.666668 -0.000000 Co\n0.833465 0.166536 0.500000 Co\n0.500001 0.500001 0.500000 Co\n0.000000 0.000000 0.000000 Bi\n0.582713 -0.039460 0.880351 O\n0.661618 0.661618 0.119631 O\n0.039462 0.417288 0.119648 O\n0.532859 0.200155 0.601485 O\n0.869182 0.869183 0.606540 O\n0.467143 0.799847 0.398514 O\n0.799847 0.467143 0.398514 O\n0.338383 0.338384 0.880368 O\n-0.039461 0.582713 0.880351 O\n0.417288 0.039462 0.119648 O\n0.200155 0.532859 0.601485 O\n0.130819 0.130819 0.393459 O\n",
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"density": 6.083059430425699,
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{
"id": "jvasp-111737",
"created_at": "2022-09-04T14:38:54.032005Z",
"updated_at": "2022-09-04T14:38:54.032032Z",
"structure_string": "Na3 Eu2 Ge2 Se6\n1.0\n7.254895 0.039341 1.153411\n-3.854690 6.146254 1.153411\n0.090785 0.165155 7.630795\nNa Eu Ge Se\n3 2 2 6\ndirect\n0.666072 0.333928 -0.000000 Na\n0.333928 0.666071 -0.000000 Na\n0.000000 0.000000 0.000000 Na\n0.833382 0.166618 0.500000 Eu\n0.166618 0.833382 0.500000 Eu\n0.559140 0.559139 0.320729 Ge\n0.440860 0.440861 0.679271 Ge\n0.219144 0.219144 0.253420 Se\n0.780856 0.780856 0.746580 Se\n0.582653 0.940722 0.261584 Se\n0.417347 0.059278 0.738416 Se\n0.059277 0.417347 0.738416 Se\n0.940723 0.582653 0.261584 Se\n",
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{
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"updated_at": "2022-09-04T14:38:54.071322Z",
"structure_string": "As2 C2\n1.0\n7.627025 -0.954384 -2.963831\n3.273324 -2.702954 0.294060\n3.401168 3.521728 -8.709881\nAs C\n2 2\ndirect\n-0.279494 -0.033743 0.238606 As\n0.723135 0.866611 0.735767 As\n0.720878 -0.106225 0.547993 C\n0.722764 -0.060907 0.426382 C\n",
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{
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"created_at": "2022-09-04T14:38:53.703512Z",
"updated_at": "2022-09-04T14:38:53.703531Z",
"structure_string": "Li4 Ni3 O6 F1\n1.0\n4.921234 -0.028668 0.635872\n3.217800 3.723591 0.635872\n-0.028453 -0.012917 6.273904\nLi Ni O F\n4 3 6 1\ndirect\n0.424555 0.424553 0.711701 Li\n0.719087 0.719085 0.856832 Li\n0.280914 0.280913 0.143167 Li\n0.575446 0.575445 0.288298 Li\n0.142658 0.142656 0.571890 Ni\n0.000000 0.000000 0.000000 Ni\n0.857343 0.857342 0.428109 Ni\n0.195934 0.195932 0.854374 O\n0.658131 0.658130 0.561043 O\n0.941355 0.941353 0.703697 O\n0.804067 0.804067 0.145625 O\n0.341870 0.341869 0.438956 O\n0.058646 0.058646 0.296302 O\n0.500000 0.500000 -0.000000 F\n",
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{
"id": "jvasp-120411",
"created_at": "2022-09-04T14:38:54.254287Z",
"updated_at": "2022-09-04T14:38:54.254315Z",
"structure_string": "Ti4 Pb2 O9 F2\n1.0\n5.744325 -0.009881 5.090161\n4.465998 3.612787 5.090161\n-0.004116 -0.001452 10.330647\nTi Pb O F\n4 2 9 2\ndirect\n0.660764 0.660767 0.774131 Ti\n0.339234 0.339235 0.225869 Ti\n0.621001 0.621003 0.453223 Ti\n0.378997 0.378999 0.546777 Ti\n0.082523 0.082523 0.159089 Pb\n0.917475 0.917478 0.840911 Pb\n0.379434 0.379435 0.353187 O\n0.620564 0.620567 0.646813 O\n0.561954 0.561956 0.335916 O\n0.438043 0.438046 0.664085 O\n0.852503 0.852506 0.569612 O\n0.147495 0.147496 0.430388 O\n0.802590 0.802593 0.240849 O\n0.197407 0.197409 0.759152 O\n0.499999 0.500001 -0.000000 O\n0.713993 0.713996 0.936564 F\n0.286005 0.286006 0.063436 F\n",
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}