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{
"id": "jvasp-81355",
"created_at": "2022-09-04T14:37:18.030570Z",
"updated_at": "2022-09-04T14:37:18.030590Z",
"structure_string": "Sr2 Zn1 Cd1\n1.0\n-12.533758 4.260025 -0.279781\n-9.678390 2.416376 3.001934\n-8.337829 6.208048 0.680018\nSr Zn Cd\n2 1 1\ndirect\n0.730847 0.015229 0.015228 Sr\n0.269154 -0.015228 -0.015229 Sr\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 -0.000001 Cd\n",
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{
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"structure_string": "Sr2 Al4 Se8\n1.0\n6.308245 -0.035815 0.000000\n-3.167724 5.455343 0.000000\n0.000000 0.000000 10.996902\nSr Al Se\n2 4 8\ndirect\n0.500000 0.499999 0.750000 Sr\n0.500000 0.499999 0.250000 Sr\n0.240990 0.761445 0.500000 Al\n0.759011 0.238553 0.500000 Al\n0.761446 0.240989 0.000000 Al\n0.238555 0.759010 0.000000 Al\n0.000000 0.500000 0.832139 Se\n0.000000 0.500000 0.167860 Se\n0.500000 -0.000000 0.332140 Se\n0.652560 0.817709 0.000000 Se\n0.347440 0.182289 0.000000 Se\n0.817711 0.652559 0.500000 Se\n0.182290 0.347440 0.500000 Se\n0.500000 -0.000000 0.667860 Se\n",
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{
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"updated_at": "2022-09-04T14:36:04.104739Z",
"structure_string": "Si2 As1 P1\n1.0\n-0.000000 3.220639 3.220639\n3.220639 -0.000000 3.220639\n3.220639 3.220639 0.000000\nSi As P\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.750000 0.750000 0.750000 Si\n0.500000 0.500000 0.500000 As\n0.250000 0.250000 0.250000 P\n",
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{
"id": "jvasp-86782",
"created_at": "2022-09-04T14:38:11.909448Z",
"updated_at": "2022-09-04T14:38:11.909469Z",
"structure_string": "Cd2 Os1 C6 N6\n1.0\n6.382181 -0.000000 0.000000\n-3.191091 5.527131 -0.000000\n-0.000000 0.000000 6.674901\nCd Os C N\n2 1 6 6\ndirect\n0.333333 0.666667 0.500031 Cd\n0.666667 0.333333 0.499969 Cd\n0.000000 0.000000 0.000000 Os\n0.999977 0.748645 0.816264 C\n0.251355 0.251333 0.816264 C\n0.748667 0.000023 0.816264 C\n0.251333 0.999977 0.183735 C\n0.748645 0.748667 0.183735 C\n0.000023 0.251355 0.183735 C\n0.612029 0.612046 0.303339 N\n0.000017 0.387971 0.303339 N\n0.612046 0.000017 0.696661 N\n0.387953 0.999983 0.303339 N\n0.999983 0.612029 0.696661 N\n0.387971 0.387953 0.696661 N\n",
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],
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"density": 4.028009086005454,
"density_atomic": 0.06370559195397242,
"volume": 235.45813703195108,
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{
"id": "jvasp-11349",
"created_at": "2022-09-04T14:37:17.068724Z",
"updated_at": "2022-09-04T14:37:17.068743Z",
"structure_string": "Ti4 Zn2 O10\n1.0\n3.329196 0.000000 0.000000\n0.000000 4.817294 0.000000\n0.000000 0.000000 12.396709\nTi Zn O\n4 2 10\ndirect\n0.000000 0.547015 0.357042 Ti\n0.500001 0.452984 0.142958 Ti\n0.500001 0.452984 0.857042 Ti\n0.000000 0.547015 0.642958 Ti\n0.500001 0.045624 0.500000 Zn\n0.000000 0.954375 0.000000 Zn\n0.500001 0.610517 0.000000 O\n0.000000 0.389483 0.500000 O\n0.500001 0.399717 0.315841 O\n0.000000 0.600283 0.184159 O\n0.500001 0.399717 0.684159 O\n0.000000 0.600283 0.815841 O\n0.000000 0.899851 0.604757 O\n0.500001 0.100148 0.895243 O\n0.500001 0.100148 0.104757 O\n0.000000 0.899851 0.395243 O\n",
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{
"id": "jvasp-71064",
"created_at": "2022-09-04T14:35:41.450715Z",
"updated_at": "2022-09-04T14:35:41.450744Z",
"structure_string": "Mg1 Be2 Nb1\n1.0\n2.929136 -3.557702 0.000000\n2.929136 3.557702 0.000000\n0.000000 0.000000 2.674848\nMg Be Nb\n1 2 1\ndirect\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Be\n0.500001 0.500001 0.000000 Be\n0.000000 0.500000 0.500000 Nb\n",
"nsites": 4,
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{
"id": "jvasp-86180",
"created_at": "2022-09-04T14:35:46.591822Z",
"updated_at": "2022-09-04T14:35:46.591842Z",
"structure_string": "Cd2 Os1 C6 N6\n1.0\n6.381253 0.000000 0.000000\n-3.190626 5.526327 0.000000\n0.000000 0.000000 6.676646\nCd Os C N\n2 1 6 6\ndirect\n0.333333 0.666667 0.500073 Cd\n0.666667 0.333333 0.499928 Cd\n0.000000 0.000000 0.000000 Os\n0.999958 0.748627 0.816273 C\n0.251373 0.251332 0.816273 C\n0.748668 0.000042 0.816273 C\n0.251331 0.999959 0.183728 C\n0.748626 0.748669 0.183728 C\n0.000042 0.251374 0.183728 C\n0.612035 0.612082 0.303350 N\n0.000046 0.387965 0.303350 N\n0.612081 0.000046 0.696651 N\n0.387918 0.999955 0.303350 N\n0.999953 0.612036 0.696651 N\n0.387964 0.387919 0.696651 N\n",
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],
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"density": 4.028127903215336,
"density_atomic": 0.06370747112567444,
"volume": 235.4511917512752,
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"formula_full": "Cd2 Os1 C6 N6",
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"spacegroup": 162
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{
"id": "jvasp-105684",
"created_at": "2022-09-04T14:35:43.910691Z",
"updated_at": "2022-09-04T14:35:43.910714Z",
"structure_string": "Rb2 Na1 Sb1 I6\n1.0\n7.415985 0.000000 4.281621\n2.471995 6.991859 4.281621\n0.000000 0.000000 8.563243\nRb Na Sb I\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 Na\n0.000000 0.000000 0.000000 Sb\n0.751951 0.248049 0.248049 I\n0.248049 0.248049 0.751950 I\n0.248049 0.751951 0.751951 I\n0.248049 0.751951 0.248049 I\n0.751951 0.248049 0.751950 I\n0.751951 0.751951 0.248049 I\n",
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"volume": 444.01717823405903,
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{
"id": "jvasp-64157",
"created_at": "2022-09-04T14:36:10.264646Z",
"updated_at": "2022-09-04T14:36:10.264670Z",
"structure_string": "Ba4 Ca1 Co1\n1.0\n0.000000 5.112449 5.112449\n5.112449 0.000000 5.112449\n5.112449 5.112449 0.000000\nBa Ca Co\n4 1 1\ndirect\n0.119468 0.626844 0.626844 Ba\n0.626844 0.626844 0.626844 Ba\n0.626844 0.119468 0.626844 Ba\n0.626844 0.626844 0.119468 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Co\n",
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{
"id": "jvasp-11315",
"created_at": "2022-09-04T14:37:06.564057Z",
"updated_at": "2022-09-04T14:37:06.564075Z",
"structure_string": "Mg2 Ni2 F8\n1.0\n-4.918183 -0.000452 -0.004582\n0.000492 -4.918151 -0.008727\n2.454080 2.449554 5.425644\nMg Ni F\n2 2 8\ndirect\n0.787527 0.787999 0.575663 Mg\n0.210832 0.211298 0.422329 Mg\n0.954943 0.455464 0.910586 Ni\n0.543363 0.043882 0.087402 Ni\n0.580523 0.515273 0.650031 F\n0.892751 0.828257 0.155606 F\n0.262159 0.327661 0.155603 F\n0.483616 0.930017 0.347959 F\n0.068833 0.135138 0.650053 F\n0.170541 0.736672 0.842410 F\n0.671126 0.106100 0.842383 F\n0.863702 0.418250 0.347952 F\n",
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{
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"created_at": "2022-09-04T14:38:40.692603Z",
"updated_at": "2022-09-04T14:38:40.692621Z",
"structure_string": "Li5 Mn3 O8\n1.0\n2.846898 0.000000 0.000000\n0.000000 4.859405 0.926630\n0.000000 -0.105105 9.738587\nLi Mn O\n5 3 8\ndirect\n0.000000 0.211884 0.283709 Li\n0.500000 0.260000 0.728401 Li\n0.000000 0.788116 0.716291 Li\n0.500000 0.740000 0.271599 Li\n0.500000 -0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500001 -0.000000 Mn\n0.000000 0.370694 0.892089 O\n0.500000 0.380735 0.388018 O\n0.000000 0.843137 0.382353 O\n0.500000 0.870888 0.890275 O\n0.000000 0.156863 0.617647 O\n0.500000 0.129112 0.109725 O\n0.000000 0.629306 0.107911 O\n0.500000 0.619265 0.611982 O\n",
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{
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"updated_at": "2022-09-04T14:38:16.898221Z",
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}
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}