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{
"id": "jvasp-117436",
"created_at": "2022-09-04T14:38:27.447957Z",
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"structure_string": "Li4 Ni4 P4 O16\n1.0\n4.787645 -0.000019 -0.000246\n0.000048 9.619629 -0.000342\n0.000360 0.000241 6.975047\nLi Ni P O\n4 4 4 16\ndirect\n0.240329 0.173408 0.987663 Li\n0.740330 0.326592 0.487663 Li\n0.240329 0.673408 0.512338 Li\n0.740331 0.826592 0.012336 Li\n0.721076 0.372612 0.985787 Ni\n0.221076 0.627388 0.014213 Ni\n0.221074 0.127389 0.485788 Ni\n0.721074 0.872612 0.514212 Ni\n0.255216 0.906866 0.240157 P\n0.755217 0.593134 0.740156 P\n0.255216 0.406866 0.259844 P\n0.755215 0.093133 0.759844 P\n0.129465 0.324286 0.427884 O\n0.629466 0.175714 0.927883 O\n0.129574 0.867506 0.442562 O\n0.629574 0.632495 0.942561 O\n0.129572 0.367504 0.057439 O\n0.629573 0.132495 0.557438 O\n0.572027 0.874472 0.251596 O\n0.698167 0.435446 0.715117 O\n0.572028 0.374472 0.248403 O\n0.072026 0.125528 0.748404 O\n0.698167 0.935446 0.784883 O\n0.198167 0.564554 0.284884 O\n0.629467 0.675714 0.572116 O\n0.198165 0.064554 0.215116 O\n0.072027 0.625528 0.751598 O\n0.129466 0.824285 0.072117 O\n",
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{
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"structure_string": "Sr2 Al8 O14\n1.0\n5.440274 -0.013744 1.287933\n1.212558 7.378766 2.822747\n-0.030023 0.000268 7.992714\nSr Al O\n2 8 14\ndirect\n0.750000 0.809646 0.190355 Sr\n0.250000 0.190356 0.809644 Sr\n0.705031 0.255040 0.081184 Al\n0.794969 0.918817 0.744960 Al\n0.294969 0.744961 0.918815 Al\n0.205031 0.081185 0.255040 Al\n0.735828 0.561723 0.681365 Al\n0.764172 0.318635 0.438278 Al\n0.264172 0.438279 0.318634 Al\n0.235828 0.681366 0.561721 Al\n0.047984 0.920780 0.841680 O\n0.452017 0.158320 0.079220 O\n0.904109 0.746104 0.634784 O\n0.547983 0.841681 0.920779 O\n0.952016 0.079221 0.158320 O\n0.832329 0.383383 0.865725 O\n0.667671 0.134274 0.616617 O\n0.167671 0.616618 0.134274 O\n0.332329 0.865727 0.383382 O\n0.404109 0.634785 0.746102 O\n0.095891 0.253897 0.365215 O\n0.595891 0.365216 0.253897 O\n0.750000 0.525544 0.474456 O\n0.250000 0.474457 0.525543 O\n",
"nsites": 24,
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"formula_full": "Sr2 Al8 O14",
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},
{
"id": "jvasp-105061",
"created_at": "2022-09-04T14:36:49.843980Z",
"updated_at": "2022-09-04T14:36:49.843999Z",
"structure_string": "Rb2 As1 Au1 Br6\n1.0\n6.657760 -0.000000 3.843859\n2.219253 6.276996 3.843859\n-0.000000 -0.000000 7.687719\nRb As Au Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 Au\n0.753582 0.246418 0.246418 Br\n0.246418 0.246418 0.753582 Br\n0.246418 0.753582 0.753582 Br\n0.246418 0.753582 0.246418 Br\n0.753582 0.246418 0.753582 Br\n0.753581 0.753582 0.246418 Br\n",
"nsites": 10,
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"spacegroup": 225
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{
"id": "jvasp-46081",
"created_at": "2022-09-04T14:38:03.396515Z",
"updated_at": "2022-09-04T14:38:03.396540Z",
"structure_string": "Ho4 Bi4 O14\n1.0\n0.000000 5.436461 5.436461\n5.436461 0.000000 5.436461\n5.436461 5.436461 0.000000\nHo Bi O\n4 4 14\ndirect\n0.500000 0.500000 -0.000000 Ho\n0.500000 0.000000 0.500000 Ho\n0.000000 0.500000 0.500000 Ho\n0.500000 0.500000 0.500000 Ho\n0.500000 0.000000 -0.000000 Bi\n0.000000 0.000000 0.000000 Bi\n0.000000 0.500000 -0.000000 Bi\n0.000000 0.000000 0.500000 Bi\n0.894014 0.355986 0.894014 O\n0.355986 0.355986 0.894014 O\n0.894014 0.894014 0.355986 O\n0.625000 0.625000 0.625000 O\n0.355986 0.894014 0.355986 O\n0.644014 0.644014 0.105986 O\n0.644014 0.105986 0.644014 O\n0.105986 0.105986 0.644014 O\n0.105986 0.644014 0.105986 O\n0.105986 0.644014 0.644014 O\n0.894014 0.355986 0.355986 O\n0.644014 0.105986 0.105986 O\n0.375000 0.375000 0.375000 O\n0.355986 0.894014 0.894014 O\n",
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"formula_full": "Ho4 Bi4 O14",
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{
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"created_at": "2022-09-04T14:37:34.706431Z",
"updated_at": "2022-09-04T14:37:34.706450Z",
"structure_string": "Te8 W4\n1.0\n3.534409 0.000000 0.000000\n0.000000 6.321365 0.000000\n0.000000 0.000000 14.383771\nTe W\n8 4\ndirect\n0.500000 0.804755 0.905345 Te\n0.000000 0.195245 0.405345 Te\n0.500000 0.689170 0.361344 Te\n0.000000 0.310829 0.861344 Te\n0.000000 0.849355 0.653786 Te\n0.500000 0.150644 0.153786 Te\n0.000000 0.655524 0.109695 Te\n0.500000 0.344475 0.609695 Te\n0.500000 0.946719 0.515123 W\n0.000000 0.053281 0.015123 W\n0.500000 0.407122 -0.000002 W\n0.000000 0.592878 0.499998 W\n",
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"volume": 321.3663736014707,
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"formula_full": "Te8 W4",
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},
{
"id": "jvasp-116858",
"created_at": "2022-09-04T14:38:43.552865Z",
"updated_at": "2022-09-04T14:38:43.552899Z",
"structure_string": "Li2 Fe2 Si6 O16\n1.0\n7.142568 0.041157 -2.539487\n4.041670 6.427862 0.813006\n-0.028988 -0.070483 7.010916\nLi Fe Si O\n2 2 6 16\ndirect\n0.261430 0.716595 0.157359 Li\n0.738569 0.283405 0.842642 Li\n0.463615 0.788625 0.629206 Fe\n0.536385 0.211376 0.370795 Fe\n0.768917 0.426609 0.290839 Si\n0.832964 0.793304 0.240458 Si\n0.141291 0.148295 0.195165 Si\n0.858709 0.851705 0.804835 Si\n0.231083 0.573391 0.709161 Si\n0.167036 0.206697 0.759542 Si\n0.246782 0.278736 0.294228 O\n0.936550 0.333678 0.542623 O\n0.713377 0.098771 0.672486 O\n0.912581 0.831400 0.057288 O\n0.535450 0.451946 0.263237 O\n0.725915 0.651168 0.187586 O\n0.753218 0.721264 0.705773 O\n0.063450 0.666322 0.457378 O\n0.464550 0.548054 0.736764 O\n0.087419 0.168600 0.942713 O\n0.286623 0.901229 0.327514 O\n0.655884 0.011702 0.250135 O\n0.344115 0.988299 0.749866 O\n0.117664 0.738932 0.830042 O\n0.274085 0.348832 0.812414 O\n0.882335 0.261069 0.169958 O\n",
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],
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"formula_full": "Li2 Fe2 Si6 O16",
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"spacegroup": 2
},
{
"id": "jvasp-122580",
"created_at": "2022-09-04T14:38:54.709978Z",
"updated_at": "2022-09-04T14:38:54.710003Z",
"structure_string": "La1 Sn7\n1.0\n6.849946 -0.000000 -0.000000\n-0.000000 6.849946 -0.000000\n-0.000000 -0.000000 6.849946\nLa Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 La\n0.263176 0.263176 0.763177 Sn\n0.000000 0.500000 0.000000 Sn\n0.263176 0.736824 0.236824 Sn\n0.500000 0.000000 0.000000 Sn\n0.736824 0.263176 0.236824 Sn\n0.500000 0.500000 0.500000 Sn\n0.736824 0.736824 0.763177 Sn\n",
"nsites": 8,
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"volume": 321.4115236149236,
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"spacegroup": 215
},
{
"id": "jvasp-102365",
"created_at": "2022-09-04T14:36:59.545411Z",
"updated_at": "2022-09-04T14:36:59.545442Z",
"structure_string": "K2 Na1 Au1 Br6\n1.0\n6.658800 -0.000000 3.844460\n2.219600 6.277977 3.844460\n-0.000000 -0.000000 7.688920\nK Na Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Au\n0.756801 0.243199 0.243199 Br\n0.243199 0.243199 0.756801 Br\n0.243199 0.756801 0.756801 Br\n0.243199 0.756801 0.243199 Br\n0.756801 0.243199 0.756801 Br\n0.756801 0.756801 0.243199 Br\n",
"nsites": 10,
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"elements": [
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],
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"volume": 321.4260219773366,
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"formula_full": "K2 Na1 Au1 Br6",
"formula_reduced": "K2NaAuBr6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-9423",
"created_at": "2022-09-04T14:36:42.299687Z",
"updated_at": "2022-09-04T14:36:42.299738Z",
"structure_string": "Li4 Ga4 S8\n1.0\n6.262687 0.000000 0.000000\n0.000000 6.552438 0.000000\n0.000000 0.000000 7.834132\nLi Ga S\n4 4 8\ndirect\n0.619134 0.585698 0.122551 Li\n0.119134 0.914302 0.622551 Li\n0.619134 0.085698 0.377449 Li\n0.119134 0.414302 0.877449 Li\n0.622114 0.574638 0.625856 Ga\n0.122114 0.425363 0.374144 Ga\n0.122114 0.925363 0.125856 Ga\n0.622114 0.074637 0.874144 Ga\n0.990487 0.069513 0.880841 S\n0.990487 0.569513 0.619158 S\n0.490487 0.930488 0.119159 S\n0.490487 0.430487 0.380841 S\n0.504475 0.907815 0.633234 S\n0.004475 0.092186 0.366766 S\n0.004475 0.592186 0.133234 S\n0.504475 0.407815 0.866766 S\n",
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"elements": [
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"formula_full": "Li4 Ga4 S8",
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"spacegroup": 33
},
{
"id": "jvasp-54866",
"created_at": "2022-09-04T14:37:55.247887Z",
"updated_at": "2022-09-04T14:37:55.247919Z",
"structure_string": "Mn4 Br8\n1.0\n6.659206 0.000000 3.844694\n2.219735 6.278360 3.844694\n0.000000 0.000000 7.689389\nMn Br\n4 8\ndirect\n0.500001 0.500000 -0.000001 Mn\n0.500001 0.500000 0.499999 Mn\n0.500000 -0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.747326 0.747325 0.747324 Br\n0.747326 0.258026 0.747324 Br\n0.252675 0.252675 0.252675 Br\n0.252676 0.741974 0.252674 Br\n0.252675 0.252675 0.741974 Br\n0.258027 0.747325 0.747324 Br\n0.741975 0.252675 0.252674 Br\n0.747326 0.747325 0.258025 Br\n",
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],
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"formula_full": "Mn4 Br8",
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"spacegroup": 227
},
{
"id": "jvasp-56914",
"created_at": "2022-09-04T14:37:07.542035Z",
"updated_at": "2022-09-04T14:37:07.542046Z",
"structure_string": "K4 Na2 B2 P4\n1.0\n4.837111 0.000152 1.166706\n2.406000 6.227209 0.636229\n-0.014431 0.025830 10.670751\nK Na B P\n4 2 2 4\ndirect\n0.982863 0.855811 0.178500 K\n0.177050 0.236705 0.409191 K\n0.017137 0.144189 0.821500 K\n0.822950 0.763295 0.590809 K\n0.297854 0.537328 0.866905 Na\n0.702146 0.462672 0.133096 Na\n0.500000 0.500000 0.500000 B\n0.500000 -0.000000 0.000000 B\n0.334593 0.240299 0.090612 P\n0.466766 0.693842 0.372671 P\n0.665407 0.759701 0.909388 P\n0.533234 0.306158 0.627329 P\n",
"nsites": 12,
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"elements": [
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],
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"density_atomic": 0.03732328243244311,
"volume": 321.51512991175315,
"volume_molar": 16.135078073318866,
"formula_full": "K4 Na2 B2 P4",
"formula_reduced": "K2NaBP2",
"formula_anonymous": "ABC2D2",
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"spacegroup": 12
},
{
"id": "jvasp-109242",
"created_at": "2022-09-04T14:37:59.561196Z",
"updated_at": "2022-09-04T14:37:59.561206Z",
"structure_string": "Rb2 Cu1 Sb1 Br6\n1.0\n6.659849 0.000000 3.845066\n2.219950 6.278966 3.845066\n0.000000 -0.000000 7.690131\nRb Cu Sb Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Sb\n0.741045 0.258955 0.258956 Br\n0.258955 0.258955 0.741045 Br\n0.258955 0.741045 0.741045 Br\n0.258955 0.741045 0.258956 Br\n0.741045 0.258955 0.741045 Br\n0.741045 0.741045 0.258956 Br\n",
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],
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"volume": 321.5779422263426,
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"formula_full": "Rb2 Cu1 Sb1 Br6",
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"spacegroup": 225
}
]
}