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{
"id": "jvasp-52268",
"created_at": "2022-09-04T14:38:10.851825Z",
"updated_at": "2022-09-04T14:38:10.851854Z",
"structure_string": "La1 Ag1 O2\n1.0\n3.826485 -0.000000 0.000000\n-1.913242 1.104610 6.166204\n1.913242 -3.313833 -0.000000\nLa Ag O\n1 1 2\ndirect\n0.499999 0.500000 0.499999 La\n0.000000 0.000000 0.000000 Ag\n0.110442 0.331327 0.110442 O\n0.889557 0.668672 0.889557 O\n",
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{
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"structure_string": "Li4 Mn6 Cu2 O16\n1.0\n5.708107 -0.008939 -0.083984\n-2.861795 4.956775 0.167966\n-0.136061 0.235665 9.594518\nLi Mn Cu O\n4 6 2 16\ndirect\n0.325639 0.649150 0.894923 Li\n0.008376 0.025969 0.996131 Li\n-0.008377 0.017593 0.496131 Li\n0.674360 0.323511 0.394923 Li\n0.822617 0.660232 0.713873 Mn\n0.326786 0.161546 0.714922 Mn\n0.818970 0.162997 0.715481 Mn\n0.181029 0.344027 0.215480 Mn\n0.177382 0.837615 0.213872 Mn\n0.673213 0.834758 0.214922 Mn\n0.329113 0.669321 0.494679 Cu\n0.670886 0.340206 0.994679 Cu\n0.324207 0.170314 0.105357 O\n0.855103 0.703248 0.107387 O\n0.657908 0.338894 0.607859 O\n0.502746 0.009098 0.821121 O\n0.506749 0.464695 0.831945 O\n0.675792 0.846106 0.605358 O\n0.497254 0.506353 0.321121 O\n0.044270 0.509267 0.329860 O\n0.149105 0.321118 0.606263 O\n0.988823 0.984497 0.814127 O\n0.011174 0.995674 0.314127 O\n0.342091 0.680985 0.107859 O\n0.955729 0.464996 0.829860 O\n0.144895 0.848144 0.607387 O\n0.493249 0.957945 0.331945 O\n0.850895 0.172012 0.106264 O\n",
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"formula_full": "Li4 Mn6 Cu2 O16",
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{
"id": "jvasp-33809",
"created_at": "2022-09-04T14:38:10.851137Z",
"updated_at": "2022-09-04T14:38:10.851147Z",
"structure_string": "Pm2 I6\n1.0\n10.495414 -0.000000 0.000000\n-5.247706 9.089295 -0.000000\n-0.000000 -0.000000 4.096578\nPm I\n2 6\ndirect\n0.333332 0.666665 0.749999 Pm\n0.666667 0.333333 0.250000 Pm\n0.204045 0.408092 0.249999 I\n0.591906 0.795953 0.249999 I\n0.204044 0.795953 0.249999 I\n0.795954 0.591908 0.750000 I\n0.408091 0.204046 0.750000 I\n0.795953 0.204046 0.750000 I\n",
"nsites": 8,
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"elements": [
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],
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"volume": 390.7968025541485,
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{
"id": "jvasp-44687",
"created_at": "2022-09-04T14:38:10.844950Z",
"updated_at": "2022-09-04T14:38:10.844968Z",
"structure_string": "Li2 Cr1 Cu1 O4\n1.0\n0.000000 5.586120 0.357855\n2.823661 0.000000 0.000000\n0.000000 -2.197005 -4.757984\nLi Cr Cu O\n2 1 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 -0.000000 Li\n-0.000001 0.500000 0.500000 Cr\n0.499999 0.000000 0.499999 Cu\n0.785842 0.000000 0.238089 O\n0.230888 0.500000 0.316664 O\n0.214156 0.000000 0.761909 O\n0.769110 0.500000 0.683334 O\n",
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"density_atomic": 0.10984610444465265,
"volume": 72.82916440638003,
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"formula_full": "Li2 Cr1 Cu1 O4",
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"spacegroup": 10
},
{
"id": "jvasp-43061",
"created_at": "2022-09-04T14:38:10.843035Z",
"updated_at": "2022-09-04T14:38:10.843048Z",
"structure_string": "Li12 Bi4 S12\n1.0\n8.128440 0.000000 -0.000000\n0.000000 8.128440 -0.000000\n-0.000000 -0.000000 8.128440\nLi Bi S\n12 4 12\ndirect\n0.022396 0.977604 0.477604 Li\n0.184544 0.684544 0.815456 Li\n0.204248 0.295752 0.704248 Li\n0.295752 0.704248 0.204248 Li\n0.315456 0.315456 0.315456 Li\n0.477604 0.022396 0.977604 Li\n0.522396 0.522396 0.522396 Li\n0.684544 0.815456 0.184544 Li\n0.704248 0.204248 0.295752 Li\n0.795752 0.795752 0.795752 Li\n0.815456 0.184544 0.684544 Li\n0.977604 0.477604 0.022396 Li\n0.919106 0.580894 0.419106 Bi\n0.580894 0.419106 0.919106 Bi\n0.419106 0.919106 0.580894 Bi\n0.080894 0.080894 0.080894 Bi\n0.993230 0.748835 0.121939 S\n0.121939 0.993230 0.748835 S\n0.251165 0.621939 0.506770 S\n0.248835 0.378061 0.006770 S\n0.378061 0.006770 0.248835 S\n0.506770 0.251165 0.621939 S\n0.493230 0.751165 0.878061 S\n0.621939 0.506770 0.251165 S\n0.751165 0.878061 0.493230 S\n0.748835 0.121939 0.993230 S\n0.878061 0.493230 0.751165 S\n0.006770 0.248835 0.378061 S\n",
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{
"id": "jvasp-8205",
"created_at": "2022-09-04T14:38:10.838019Z",
"updated_at": "2022-09-04T14:38:10.838042Z",
"structure_string": "K1 Ag2 Sb1 S4\n1.0\n5.842425 -0.011725 -2.781833\n-3.509989 5.359997 -0.907228\n-0.007678 0.011725 6.470893\nK Ag Sb S\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 K\n0.499999 0.250000 0.750000 Ag\n0.499999 0.750000 0.250000 Ag\n0.000000 0.500001 0.500000 Sb\n0.000000 0.458896 0.860877 S\n0.598017 0.139123 0.139123 S\n0.401982 0.541106 0.541105 S\n0.000000 0.860878 0.458895 S\n",
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"density": 4.141250844502908,
"density_atomic": 0.03951900698031943,
"volume": 202.43423636590921,
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"formula_full": "K1 Ag2 Sb1 S4",
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"formula_anonymous": "ABC2D4",
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"spacegroup": 121
},
{
"id": "jvasp-10006",
"created_at": "2022-09-04T14:38:10.837451Z",
"updated_at": "2022-09-04T14:38:10.837478Z",
"structure_string": "Ba3 Y2 Cu2 Pt1 O10\n1.0\n5.855283 0.000000 0.000000\n-2.927642 6.059377 -1.707238\n0.000000 -0.009960 7.460535\nBa Y Cu Pt O\n3 2 2 1 10\ndirect\n0.000000 0.000000 0.000000 Ba\n0.847187 0.694374 0.460705 Ba\n0.152813 0.305626 0.539294 Ba\n0.311263 0.622526 0.126236 Y\n0.688737 0.377474 0.873763 Y\n0.410588 0.821174 0.800262 Cu\n0.589412 0.178826 0.199738 Cu\n0.500000 -0.000000 0.500000 Pt\n0.297209 0.036771 0.718715 O\n0.666844 0.333687 0.550170 O\n0.702791 0.963229 0.281284 O\n0.087209 0.632441 0.873014 O\n0.454768 0.367560 0.126985 O\n0.912791 0.367560 0.126985 O\n0.545232 0.632441 0.873014 O\n0.333156 0.666314 0.449829 O\n0.739561 0.036771 0.718715 O\n0.260439 0.963229 0.281284 O\n",
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{
"id": "jvasp-45132",
"created_at": "2022-09-04T14:38:10.834119Z",
"updated_at": "2022-09-04T14:38:10.834144Z",
"structure_string": "Na6 Co2 Si2 C2 O14\n1.0\n0.000000 5.131422 -0.059917\n6.295769 0.000000 0.000000\n0.000000 -0.092561 -9.197250\nNa Co Si C O\n6 2 2 2 14\ndirect\n0.231465 0.750000 0.099265 Na\n0.747923 -0.001217 0.258680 Na\n0.747923 0.501217 0.258680 Na\n0.252077 0.498783 0.741321 Na\n0.252077 0.001217 0.741321 Na\n0.768535 0.250000 0.900735 Na\n0.211505 0.250000 0.352787 Co\n0.788495 0.750000 0.647213 Co\n0.679707 0.250000 0.569898 Si\n0.320293 0.750000 0.430102 Si\n0.277475 0.250000 0.058768 C\n0.722525 0.750000 0.941232 C\n0.487938 0.750000 0.894165 O\n0.741523 0.045409 0.679432 O\n0.741523 0.454591 0.679432 O\n0.359864 0.250000 0.541295 O\n0.157554 0.750000 0.580830 O\n0.842446 0.250000 0.419170 O\n0.775977 0.750000 0.078615 O\n0.258477 0.545409 0.320568 O\n0.258477 0.954591 0.320568 O\n0.512062 0.250000 0.105835 O\n0.080755 0.250000 0.150722 O\n0.919245 0.750000 0.849278 O\n0.640136 0.750000 0.458706 O\n0.224023 0.250000 0.921386 O\n",
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"formula_full": "Na6 Co2 Si2 C2 O14",
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},
{
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"created_at": "2022-09-04T14:38:10.833583Z",
"updated_at": "2022-09-04T14:38:10.833606Z",
"structure_string": "Zr1 Co2 Sn1\n1.0\n3.846267 -0.000000 2.220644\n1.282089 3.626295 2.220644\n-0.000000 -0.000000 4.441286\nZr Co Sn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Co\n0.750000 0.750001 0.749999 Co\n0.500000 0.500001 0.499999 Sn\n",
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},
{
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"created_at": "2022-09-04T14:38:10.830463Z",
"updated_at": "2022-09-04T14:38:10.830496Z",
"structure_string": "Li2 Ti3 Fe1 O8\n1.0\n-0.037951 4.172356 4.172356\n4.172356 -0.037951 4.172356\n4.172356 4.172356 -0.037951\nLi Ti Fe O\n2 3 1 8\ndirect\n0.119910 0.119910 0.119910 Li\n0.500032 0.500032 0.500032 Li\n0.498432 0.008323 0.498432 Ti\n0.498432 0.498432 0.008323 Ti\n0.008323 0.498432 0.498432 Ti\n0.882354 0.882354 0.882354 Fe\n0.259007 0.259007 0.259007 O\n0.712696 0.251535 0.251535 O\n0.251535 0.712696 0.251535 O\n0.251535 0.251535 0.712696 O\n0.746522 0.746522 0.281484 O\n0.746522 0.281484 0.746522 O\n0.281484 0.746522 0.746522 O\n0.743224 0.743224 0.743224 O\n",
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{
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"structure_string": "Sm2 Tl1 Zn1\n1.0\n-0.000000 3.746897 3.746897\n3.746897 -0.000000 3.746897\n3.746897 3.746897 -0.000000\nSm Tl Zn\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Sm\n0.250001 0.250001 0.250001 Tl\n0.750002 0.750002 0.750002 Zn\n",
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{
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"created_at": "2022-09-04T14:38:10.826541Z",
"updated_at": "2022-09-04T14:38:10.826566Z",
"structure_string": "Sr2 Li2 Ta4 O12 F2\n1.0\n7.440554 -0.036316 -0.013273\n3.688827 6.461866 -0.013273\n3.698956 2.135594 6.040369\nSr Li Ta O F\n2 2 4 12 2\ndirect\n0.625000 0.124999 0.625001 Sr\n0.125000 0.625000 0.625001 Sr\n0.625000 0.625000 0.125001 Li\n0.625000 0.624999 0.625001 Li\n0.625000 0.124999 0.125000 Ta\n0.125000 0.625000 0.125000 Ta\n0.125000 0.125000 0.125000 Ta\n0.125000 0.125000 0.625000 Ta\n0.813255 0.813255 0.186746 O\n0.809422 0.189411 0.806078 O\n0.809421 0.189411 0.195090 O\n0.189412 0.809421 0.806078 O\n0.196753 0.196752 0.803248 O\n0.436744 0.436744 0.063256 O\n0.189412 0.809421 0.195090 O\n0.440579 0.060588 0.054911 O\n0.060588 0.440579 0.443923 O\n0.053248 0.053247 0.446753 O\n0.060588 0.440579 0.054911 O\n0.440579 0.060588 0.443923 O\n0.724146 0.724145 0.775855 F\n0.525854 0.525854 0.474146 F\n",
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}