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{
"id": "jvasp-8352",
"created_at": "2022-09-04T14:37:17.153898Z",
"updated_at": "2022-09-04T14:37:17.153909Z",
"structure_string": "Mn1 Zn1 F6\n1.0\n4.424387 0.079196 2.932022\n1.615142 4.119805 2.932022\n0.113910 0.079196 5.306503\nMn Zn F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.499999 Zn\n0.374341 0.094445 0.767810 F\n0.094444 0.767810 0.374341 F\n0.232189 0.625659 0.905555 F\n0.905556 0.232190 0.625657 F\n0.625659 0.905556 0.232189 F\n0.767811 0.374341 0.094443 F\n",
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{
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"structure_string": "Zn2 Cu2 Si4 O12\n1.0\n6.528099 -0.008921 1.888233\n-0.130080 6.526809 1.888233\n-0.028826 -0.029366 5.278862\nZn Cu Si O\n2 2 4 12\ndirect\n0.763046 0.236954 0.749999 Zn\n0.236954 0.763046 0.249999 Zn\n0.895607 0.104393 0.249999 Cu\n0.104393 0.895607 0.749999 Cu\n0.386594 0.216171 0.243415 Si\n0.783829 0.613406 0.256584 Si\n0.216171 0.386594 0.743415 Si\n0.613406 0.783829 0.756584 Si\n0.790575 0.967661 0.634393 O\n0.032338 0.209424 0.865606 O\n0.137518 0.614930 0.626962 O\n0.385069 0.862482 0.873037 O\n0.862482 0.385070 0.373037 O\n0.677321 0.615816 0.011313 O\n0.322679 0.384183 0.988686 O\n0.615816 0.677321 0.511313 O\n0.209424 0.032339 0.365606 O\n0.384184 0.322679 0.488686 O\n0.614930 0.137518 0.126962 O\n0.967661 0.790576 0.134392 O\n",
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{
"id": "jvasp-42280",
"created_at": "2022-09-04T14:38:08.193780Z",
"updated_at": "2022-09-04T14:38:08.193805Z",
"structure_string": "Na2 Cr7 O14\n1.0\n5.658196 0.000057 0.000233\n2.828913 4.900526 0.001976\n2.826218 1.621481 9.176039\nNa Cr O\n2 7 14\ndirect\n0.304868 0.305067 0.085310 Na\n0.695149 0.694940 0.914681 Na\n-0.000008 0.500000 0.500003 Cr\n0.060181 0.060922 0.818993 Cr\n0.499994 -0.000001 0.500002 Cr\n-0.000006 -0.000001 0.500002 Cr\n0.574982 0.574518 0.275326 Cr\n0.425008 0.425484 0.724672 Cr\n0.939810 0.939078 0.181007 Cr\n0.632333 0.122357 0.613068 O\n0.219714 0.220535 0.858049 O\n0.780271 0.297080 0.142070 O\n0.297954 0.779386 0.141985 O\n0.122098 0.632579 0.613065 O\n0.877886 0.367423 0.386937 O\n0.367656 0.877642 0.386933 O\n0.219708 0.702920 0.857931 O\n0.780282 0.779459 0.141952 O\n0.367649 0.367413 0.386940 O\n0.632338 0.632590 0.613060 O\n0.127476 0.127758 0.617390 O\n0.702036 0.220618 0.858015 O\n0.872512 0.872243 0.382611 O\n",
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"elements": [
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"density": 4.137720033042105,
"density_atomic": 0.09040429325447183,
"volume": 254.41269625612952,
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"formula_full": "Na2 Cr7 O14",
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"formula_anonymous": "A2B7C14",
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"spacegroup": 166
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{
"id": "jvasp-14254",
"created_at": "2022-09-04T14:37:39.549679Z",
"updated_at": "2022-09-04T14:37:39.549699Z",
"structure_string": "Ba1 Si2\n1.0\n2.106769 -3.649031 0.000000\n2.106769 3.649031 -0.000000\n0.000000 0.000000 5.050501\nBa Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.500000 Si\n0.333333 0.666667 0.500000 Si\n",
"nsites": 3,
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"elements": [
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"volume": 77.6531234881955,
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"formula_full": "Ba1 Si2",
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{
"id": "jvasp-14905",
"created_at": "2022-09-04T14:36:53.522730Z",
"updated_at": "2022-09-04T14:36:53.522740Z",
"structure_string": "Ba1 Si2\n1.0\n2.106769 -3.649031 -0.000000\n2.106769 3.649031 -0.000000\n-0.000000 0.000000 5.050501\nBa Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.500000 Si\n0.333333 0.666667 0.500000 Si\n",
"nsites": 3,
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"elements": [
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"formula_full": "Ba1 Si2",
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"spacegroup": 191
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{
"id": "jvasp-7642",
"created_at": "2022-09-04T14:37:00.035834Z",
"updated_at": "2022-09-04T14:37:00.035859Z",
"structure_string": "K2 Al2 Te4\n1.0\n6.153982 -0.000000 3.329387\n3.076991 6.070710 1.664693\n0.188312 -0.000000 7.004080\nK Al Te\n2 2 4\ndirect\n0.750000 0.000000 0.000001 K\n0.250000 0.000000 0.000000 K\n0.749999 0.500000 0.500000 Al\n0.250000 0.500000 0.500000 Al\n0.166426 0.500000 0.167146 Te\n0.333573 0.832854 0.500000 Te\n0.666426 0.167146 0.500000 Te\n0.833573 0.500000 0.832854 Te\n",
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"density": 4.137893184158729,
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"volume": 257.8595916147156,
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"formula_full": "K2 Al2 Te4",
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{
"id": "jvasp-46497",
"created_at": "2022-09-04T14:38:11.126645Z",
"updated_at": "2022-09-04T14:38:11.126669Z",
"structure_string": "Na1 V1 O2\n1.0\n2.958969 0.000000 0.000000\n-1.479485 2.562975 0.000806\n0.000000 -0.000810 5.605363\nNa V O\n1 1 2\ndirect\n-0.000002 -0.000000 0.500000 Na\n0.999998 0.000000 0.000000 V\n0.333285 0.666571 0.202152 O\n0.666712 0.333430 0.797848 O\n",
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"volume": 42.50974966337329,
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"spacegroup": 164
},
{
"id": "jvasp-57488",
"created_at": "2022-09-04T14:36:32.592893Z",
"updated_at": "2022-09-04T14:36:32.592919Z",
"structure_string": "K2 Li4 U1 O6\n1.0\n3.022057 -5.234355 0.000000\n3.022057 5.234355 -0.000000\n0.000000 -0.000000 5.580856\nK Li U O\n2 4 1 6\ndirect\n0.333333 0.666668 0.544906 K\n0.666668 0.333333 0.455095 K\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.500001 0.500001 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 U\n0.669287 0.834643 0.208289 O\n0.330714 0.165358 0.791712 O\n0.834643 0.669287 0.791712 O\n0.165358 0.834643 0.208289 O\n0.834643 0.165358 0.791712 O\n0.165358 0.330714 0.208289 O\n",
"nsites": 13,
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"elements": [
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],
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"volume": 176.56175522231862,
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"formula_full": "K2 Li4 U1 O6",
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{
"id": "jvasp-117658",
"created_at": "2022-09-04T14:38:52.874431Z",
"updated_at": "2022-09-04T14:38:52.874468Z",
"structure_string": "Ca1 Ag1 O1\n1.0\n5.741371 -1.499905 0.000000\n-4.049422 4.341109 0.000000\n0.000000 0.000000 3.490083\nCa Ag O\n1 1 1\ndirect\n0.040674 0.293083 0.000000 Ca\n0.305019 0.027641 0.000000 Ag\n0.654308 0.679278 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:38:09.963687Z",
"updated_at": "2022-09-04T14:38:09.963729Z",
"structure_string": "Al6 Fe2\n1.0\n2.688405 -4.656455 0.000000\n2.688405 4.656455 -0.000000\n-0.000000 0.000000 4.384799\nAl Fe\n6 2\ndirect\n0.343395 0.171697 0.249980 Al\n0.828305 0.171697 0.249980 Al\n0.828305 0.656607 0.249980 Al\n0.656607 0.828305 0.750020 Al\n0.171697 0.828305 0.750020 Al\n0.171697 0.343395 0.750020 Al\n0.666668 0.333334 0.749892 Fe\n0.333334 0.666668 0.250108 Fe\n",
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"formula_full": "Al6 Fe2",
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{
"id": "jvasp-10785",
"created_at": "2022-09-04T14:38:06.143588Z",
"updated_at": "2022-09-04T14:38:06.143609Z",
"structure_string": "Li4 Ga4 Se8\n1.0\n6.615319 0.000000 0.000000\n0.000000 6.909057 0.000000\n0.000000 0.000000 8.238141\nLi Ga Se\n4 4 8\ndirect\n0.120287 0.911983 0.622022 Li\n0.620287 0.088017 0.377978 Li\n0.620287 0.588017 0.122022 Li\n0.120287 0.411983 0.877978 Li\n0.622584 0.574566 0.625934 Ga\n0.122584 0.425434 0.374065 Ga\n0.122584 0.925435 0.125934 Ga\n0.622584 0.074566 0.874065 Ga\n0.502953 0.908937 0.631127 Se\n0.002953 0.091063 0.368873 Se\n0.002953 0.591064 0.131127 Se\n0.502953 0.408937 0.868872 Se\n0.992176 0.069713 0.878454 Se\n0.492176 0.930287 0.121546 Se\n0.492176 0.430287 0.378454 Se\n0.992176 0.569713 0.621546 Se\n",
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{
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"created_at": "2022-09-04T14:38:09.885950Z",
"updated_at": "2022-09-04T14:38:09.885972Z",
"structure_string": "Ba4 H8 O16\n1.0\n0.000000 4.167832 -0.023458\n9.465524 0.000000 0.000000\n0.000000 -1.233726 -8.265963\nBa H O\n4 8 16\ndirect\n0.355513 0.304155 0.376849 Ba\n0.644486 0.804155 0.123151 Ba\n0.644486 0.695845 0.623151 Ba\n0.355513 0.195845 0.876848 Ba\n0.232179 0.563144 0.872696 H\n0.767819 0.063145 0.627304 H\n0.232179 0.936855 0.372696 H\n0.767820 0.436855 0.127304 H\n0.938370 0.387531 0.657977 H\n0.938371 0.112469 0.157978 H\n0.061628 0.612469 0.342022 H\n0.061628 0.887531 0.842022 H\n0.064597 0.809903 0.430336 O\n0.639477 0.510162 0.188657 O\n0.360523 0.010162 0.311343 O\n0.064597 0.690096 0.930336 O\n0.935401 0.190096 0.569664 O\n0.935402 0.309904 0.069664 O\n0.214545 0.797227 0.831394 O\n0.169868 0.004206 0.145381 O\n0.785454 0.202772 0.168606 O\n0.214546 0.702772 0.331394 O\n0.830131 -0.004206 0.854619 O\n0.169867 0.495793 0.645381 O\n0.639476 0.989837 0.688657 O\n0.830132 0.504206 0.354619 O\n0.785453 0.297228 0.668606 O\n0.360522 0.489838 0.811343 O\n",
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"spacegroup": 14
}
]
}