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{
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{
"id": "jvasp-44355",
"created_at": "2022-09-04T14:38:06.344895Z",
"updated_at": "2022-09-04T14:38:06.344922Z",
"structure_string": "Li6 Mn2 Al4 O12\n1.0\n5.245438 0.006461 -0.023450\n-0.063217 -5.849733 -0.018561\n-1.383712 -0.017504 -7.642574\nLi Mn Al O\n6 2 4 12\ndirect\n0.164753 0.835406 0.082481 Li\n-0.002565 0.660380 0.756978 Li\n0.328914 0.654203 0.401113 Li\n0.671087 0.345796 0.598887 Li\n0.002565 0.339619 0.243022 Li\n0.835247 0.164593 0.917519 Li\n0.504860 0.829136 0.738988 Mn\n0.495140 0.170863 0.261011 Mn\n0.328485 0.332700 0.915239 Al\n0.159259 0.176193 0.582383 Al\n0.840741 0.823806 0.417617 Al\n0.671515 0.667299 0.084761 Al\n0.474665 0.170057 0.757607 O\n0.171152 0.860133 0.577592 O\n0.525335 0.829942 0.242392 O\n0.801330 0.822131 0.914391 O\n0.679475 0.680196 0.573675 O\n0.975458 0.677036 0.251463 O\n0.345720 0.647377 0.921256 O\n0.654280 0.352622 0.078743 O\n0.024542 0.322963 0.748536 O\n0.320525 0.319803 0.426325 O\n0.198670 0.177868 0.085608 O\n0.828848 0.139866 0.422407 O\n",
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"formula_full": "Li6 Mn2 Al4 O12",
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{
"id": "jvasp-10794",
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"structure_string": "K2 Sm2 Ge2 Se8\n1.0\n0.000000 6.837302 -0.002813\n7.038197 0.000000 0.000000\n0.000000 -2.751662 -8.439439\nK Sm Ge Se\n2 2 2 8\ndirect\n0.750553 0.707235 0.060823 K\n0.249447 0.207235 0.939177 K\n0.269192 0.204455 0.446576 Sm\n0.730808 0.704455 0.553424 Sm\n0.718987 0.237092 0.319629 Ge\n0.281013 0.737092 0.680371 Ge\n0.538307 0.980164 0.730009 Se\n0.461693 0.480164 0.269991 Se\n0.492365 0.460346 0.714887 Se\n0.921323 0.242691 0.148483 Se\n0.078677 0.742691 0.851516 Se\n0.066903 0.803908 0.417624 Se\n0.933097 0.303908 0.582376 Se\n0.507635 0.960346 0.285113 Se\n",
"nsites": 14,
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"elements": [
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],
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"volume": 406.17951194199685,
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"formula_full": "K2 Sm2 Ge2 Se8",
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"formula_anonymous": "ABCD4",
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{
"id": "jvasp-37032",
"created_at": "2022-09-04T14:38:06.356478Z",
"updated_at": "2022-09-04T14:38:06.356503Z",
"structure_string": "Ti1 Fe1 Co1 Si1\n1.0\n2.862195 2.862195 0.000000\n2.862195 0.000000 -2.862195\n0.000000 2.862195 -2.862195\nTi Fe Co Si\n1 1 1 1\ndirect\n0.500001 0.500001 0.500001 Ti\n0.750001 0.750001 0.750001 Fe\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Si\n",
"nsites": 4,
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"elements": [
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],
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"volume": 46.89512003046012,
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"formula_full": "Ti1 Fe1 Co1 Si1",
"formula_reduced": "TiFeCoSi",
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"spacegroup": 216
},
{
"id": "jvasp-44676",
"created_at": "2022-09-04T14:38:06.358217Z",
"updated_at": "2022-09-04T14:38:06.358245Z",
"structure_string": "Mn4 Cr1 O8\n1.0\n-0.039612 3.013895 -4.931153\n1.622710 -2.540068 -4.931153\n-5.077339 1.506085 -2.506374\nMn Cr O\n4 1 8\ndirect\n0.000000 0.499999 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 -0.000000 Mn\n-0.000000 0.500000 -0.000000 Mn\n0.499999 0.500000 -0.000000 Cr\n0.468291 0.267480 0.799189 O\n0.977294 0.278239 0.776012 O\n0.502225 0.753307 0.776012 O\n0.973097 0.752670 0.779573 O\n0.026902 0.247329 0.220426 O\n0.497774 0.246692 0.223987 O\n0.022705 0.721761 0.223988 O\n0.531708 0.732519 0.200810 O\n",
"nsites": 13,
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"elements": [
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],
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"volume": 138.71538075002425,
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"formula_full": "Mn4 Cr1 O8",
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"formula_anonymous": "AB4C8",
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"spacegroup": 12
},
{
"id": "jvasp-47122",
"created_at": "2022-09-04T14:38:06.359884Z",
"updated_at": "2022-09-04T14:38:06.359914Z",
"structure_string": "Li2 Co2 O4\n1.0\n1.415928 -2.452460 -0.000000\n1.415928 2.452460 0.000000\n0.000000 -0.000000 9.434878\nLi Co O\n2 2 4\ndirect\n0.666668 0.333334 0.741250 Li\n0.333334 0.666668 0.241250 Li\n0.666668 0.333334 0.999676 Co\n0.333334 0.666668 0.499675 Co\n0.000000 0.000000 0.109137 O\n0.000000 0.000000 0.609137 O\n0.666668 0.333334 0.391007 O\n0.333334 0.666668 0.891008 O\n",
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"formula_full": "Li2 Co2 O4",
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},
{
"id": "jvasp-109555",
"created_at": "2022-09-04T14:38:06.361799Z",
"updated_at": "2022-09-04T14:38:06.361817Z",
"structure_string": "Li1 In2 Ni1\n1.0\n3.930021 0.000000 2.268999\n1.310007 3.705260 2.268999\n0.000000 0.000000 4.537998\nLi In Ni\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750001 In\n0.000000 0.000000 0.000000 Ni\n",
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"spacegroup": 225
},
{
"id": "jvasp-38584",
"created_at": "2022-09-04T14:38:06.373747Z",
"updated_at": "2022-09-04T14:38:06.373757Z",
"structure_string": "Hf3 Bi1\n1.0\n-2.193645 2.193645 4.739603\n2.193645 -2.193645 4.739603\n2.193645 2.193645 -4.739603\nHf Bi\n3 1\ndirect\n0.750001 0.250000 0.500001 Hf\n0.250000 0.750001 0.500001 Hf\n0.500000 0.500000 0.000000 Hf\n0.000000 0.000000 0.000000 Bi\n",
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{
"id": "jvasp-49997",
"created_at": "2022-09-04T14:38:06.378863Z",
"updated_at": "2022-09-04T14:38:06.378881Z",
"structure_string": "Li2 Ti2 O4\n1.0\n2.896423 -0.000028 0.000048\n-1.448235 2.508417 -0.000096\n-0.000034 0.000060 10.134218\nLi Ti O\n2 2 4\ndirect\n0.333234 0.666720 0.240230 Li\n0.666765 0.333485 0.740230 Li\n0.333403 0.666648 0.499761 Ti\n0.666597 0.333244 0.999762 Ti\n0.333277 0.666590 0.881990 O\n0.999923 0.999915 0.119078 O\n0.000075 0.999990 0.619078 O\n0.666722 0.333312 0.381990 O\n",
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"formula_full": "Li2 Ti2 O4",
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{
"id": "jvasp-45914",
"created_at": "2022-09-04T14:38:06.386100Z",
"updated_at": "2022-09-04T14:38:06.386124Z",
"structure_string": "V4 P4 O14\n1.0\n0.000000 4.467606 0.005712\n10.263893 0.000000 0.000000\n0.000000 -0.614904 -5.330168\nV P O\n4 4 14\ndirect\n0.597757 0.156364 0.920990 V\n0.402246 0.656364 0.579011 V\n0.597756 0.343636 0.420990 V\n0.402245 0.843636 0.079010 V\n0.143612 0.388772 0.849963 P\n0.856390 0.888772 0.650038 P\n0.143612 0.111228 0.349962 P\n0.856390 0.611228 0.150038 P\n0.884812 0.202680 0.252538 O\n0.115189 0.702680 0.247463 O\n0.712823 0.545655 0.364938 O\n0.000000 0.000000 0.500000 O\n0.618367 0.825051 0.459124 O\n0.381635 0.174949 0.540877 O\n0.712823 0.954345 0.864938 O\n0.884813 0.297320 0.752538 O\n0.115190 0.797320 0.747463 O\n0.287179 0.045655 0.135063 O\n0.000000 0.500000 0.000000 O\n0.618368 0.674949 0.959124 O\n0.287179 0.454345 0.635063 O\n0.381634 0.325051 0.040877 O\n",
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{
"id": "jvasp-13384",
"created_at": "2022-09-04T14:38:06.387651Z",
"updated_at": "2022-09-04T14:38:06.387681Z",
"structure_string": "Na12 Au4 O8\n1.0\n9.722332 0.000000 0.000000\n0.000000 9.722332 0.000000\n0.000000 0.000000 4.589024\nNa Au O\n12 4 8\ndirect\n0.658108 0.658108 0.500000 Na\n0.013240 0.348684 0.500000 Na\n0.341891 0.341891 0.500000 Na\n0.841891 0.158108 0.000000 Na\n0.486759 0.848684 0.000000 Na\n0.513240 0.151316 0.000000 Na\n0.158108 0.841891 0.000000 Na\n0.348684 0.013240 0.500000 Na\n0.848684 0.486759 0.000000 Na\n0.986759 0.651316 0.500000 Na\n0.151316 0.513240 0.000000 Na\n0.651316 0.986759 0.500000 Na\n0.667171 0.332829 0.500000 Au\n0.167171 0.167171 0.000000 Au\n0.832828 0.832828 0.000000 Au\n0.332829 0.667171 0.500000 Au\n0.016387 0.310209 0.000000 O\n0.310209 0.016387 0.000000 O\n0.689791 0.983613 0.000000 O\n0.483613 0.810209 0.500000 O\n0.516387 0.189791 0.500000 O\n0.189791 0.516387 0.500000 O\n0.983613 0.689791 0.000000 O\n0.810209 0.483613 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:38:06.392427Z",
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"structure_string": "Cr4 Ag4 O16\n1.0\n5.117941 0.000000 -0.789597\n0.000000 9.055679 0.000000\n-1.231535 0.000000 7.568779\nCr Ag O\n4 4 16\ndirect\n0.154878 0.514048 0.270072 Cr\n0.345122 0.014048 0.229928 Cr\n0.654877 0.985952 0.770072 Cr\n0.845121 0.485952 0.729928 Cr\n0.420790 0.693203 0.955758 Ag\n0.079209 0.193203 0.544242 Ag\n0.920790 0.806797 0.455758 Ag\n0.579209 0.306797 0.044241 Ag\n0.093811 0.061551 0.015464 O\n0.808127 0.995196 0.609308 O\n0.691872 0.495196 0.890692 O\n0.406189 0.561552 0.484536 O\n0.485513 0.855187 0.205008 O\n0.558387 0.152223 0.257600 O\n0.441612 0.847778 0.742399 O\n0.191872 0.004804 0.390692 O\n0.593810 0.438448 0.515464 O\n0.308127 0.504804 0.109308 O\n0.014486 0.355187 0.294992 O\n0.906188 0.938449 0.984536 O\n0.985512 0.644813 0.705008 O\n0.941612 0.652223 0.242399 O\n0.514486 0.144813 0.794992 O\n0.058386 0.347777 0.757600 O\n",
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{
"id": "jvasp-37478",
"created_at": "2022-09-04T14:38:06.392988Z",
"updated_at": "2022-09-04T14:38:06.392999Z",
"structure_string": "Yb1 Ac1 Mg2\n1.0\n-0.000000 4.018213 4.018213\n4.018213 0.000000 4.018213\n4.018213 4.018213 -0.000000\nYb Ac Mg\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Yb\n0.250000 0.250000 0.250000 Ac\n0.000000 0.000000 0.000000 Mg\n0.500001 0.500001 0.500001 Mg\n",
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}
]
}