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{
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"results": [
{
"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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{
"id": "jvasp-10006",
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"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",
"nsites": 18,
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],
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"density": 6.727385630026477,
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"volume": 264.59549655413605,
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"formula_full": "Ba3 Y2 Cu2 Pt1 O10",
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"formula_anonymous": "AB2C2D3E10",
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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",
"nsites": 8,
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"elements": [
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"S"
],
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"density": 4.141250844502908,
"density_atomic": 0.03951900698031943,
"volume": 202.43423636590921,
"volume_molar": 15.238593325482702,
"formula_full": "K1 Ag2 Sb1 S4",
"formula_reduced": "KAg2SbS4",
"formula_anonymous": "ABC2D4",
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"spacegroup": 121
},
{
"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",
"nsites": 28,
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"elements": [
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],
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"formula_full": "Li12 Bi4 S12",
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{
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"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",
"nsites": 8,
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"Cu",
"O"
],
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"density": 4.410105371881056,
"density_atomic": 0.10984610444465265,
"volume": 72.82916440638003,
"volume_molar": 5.482343493605029,
"formula_full": "Li2 Cr1 Cu1 O4",
"formula_reduced": "Li2CrCuO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.01574648125,
"spacegroup": 10
},
{
"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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"density_atomic": 0.02047099655809371,
"volume": 390.7968025541485,
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"formula_anonymous": "AB3",
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},
{
"id": "jvasp-44446",
"created_at": "2022-09-04T14:38:10.851597Z",
"updated_at": "2022-09-04T14:38:10.851624Z",
"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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"volume": 270.99420666203173,
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"formula_full": "Li4 Mn6 Cu2 O16",
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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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"volume": 78.18951554613528,
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"formula_full": "La1 Ag1 O2",
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"spacegroup": 166
},
{
"id": "jvasp-20574",
"created_at": "2022-09-04T14:38:10.861861Z",
"updated_at": "2022-09-04T14:38:10.861872Z",
"structure_string": "Pu1 S1\n1.0\n3.427725 -0.000000 1.978998\n1.142575 3.231690 1.978998\n0.000000 0.000000 3.957995\nPu S\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500001 0.500000 0.500000 S\n",
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{
"id": "jvasp-12877",
"created_at": "2022-09-04T14:38:10.861924Z",
"updated_at": "2022-09-04T14:38:10.861949Z",
"structure_string": "Na12 Al4 Se12\n1.0\n7.184096 0.000000 0.000000\n0.000000 7.473812 -0.063524\n0.000000 -0.026097 13.203020\nNa Al Se\n12 4 12\ndirect\n0.471349 0.724052 0.785994 Na\n0.971349 0.775948 0.714007 Na\n0.528651 0.275948 0.214006 Na\n0.028651 0.224052 0.285994 Na\n0.505233 0.339500 0.610967 Na\n0.005233 0.160499 0.889033 Na\n0.494768 0.660499 0.389033 Na\n0.994768 0.839500 0.110967 Na\n0.505103 0.210359 0.899957 Na\n0.005102 0.289640 0.600043 Na\n0.494898 0.789640 0.100043 Na\n0.994898 0.710359 0.399958 Na\n0.639933 0.083240 0.418581 Al\n0.139933 0.416760 0.081419 Al\n0.360067 0.916760 0.581419 Al\n0.860068 0.583239 0.918582 Al\n0.702236 0.920489 0.571956 Se\n0.202236 0.579511 0.928045 Se\n0.297764 0.079511 0.428045 Se\n0.797765 0.420489 0.071956 Se\n0.261457 0.072971 0.728512 Se\n0.761457 0.427028 0.771488 Se\n0.738544 0.927028 0.271488 Se\n0.238544 0.572971 0.228512 Se\n0.744106 0.878703 0.926443 Se\n0.244105 0.621296 0.573557 Se\n0.255895 0.121297 0.073557 Se\n0.755895 0.378703 0.426443 Se\n",
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},
{
"id": "jvasp-20655",
"created_at": "2022-09-04T14:38:10.863547Z",
"updated_at": "2022-09-04T14:38:10.863574Z",
"structure_string": "Pu1 Se1\n1.0\n3.586514 0.000000 2.070675\n1.195504 3.381398 2.070675\n0.000000 0.000000 4.141350\nPu Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.499999 0.500000 0.499999 Se\n",
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"volume": 50.223937475817955,
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"spacegroup": 225
},
{
"id": "jvasp-20570",
"created_at": "2022-09-04T14:38:10.864721Z",
"updated_at": "2022-09-04T14:38:10.864741Z",
"structure_string": "Ti2 Cu2\n1.0\n3.118587 0.000000 0.000000\n0.000000 3.118587 -0.000000\n0.000000 0.000000 5.909239\nTi Cu\n2 2\ndirect\n0.500000 0.000000 0.356538 Ti\n0.000000 0.500000 0.643462 Ti\n0.500000 0.000000 0.888700 Cu\n0.000000 0.500000 0.111300 Cu\n",
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}
]
}