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{
"id": "jvasp-15626",
"created_at": "2022-09-04T14:36:43.470732Z",
"updated_at": "2022-09-04T14:36:43.470752Z",
"structure_string": "Cu3 Sb1 S4\n1.0\n4.963492 -0.000000 -2.222858\n-0.995488 4.862638 -2.222858\n-0.002606 -0.003194 6.647182\nCu Sb S\n3 1 4\ndirect\n0.749999 0.250000 0.499999 Cu\n0.249999 0.750001 0.500000 Cu\n0.500000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.000000 Sb\n0.132871 0.132872 0.733676 S\n0.399194 0.867129 0.266323 S\n0.867128 0.399195 0.266323 S\n0.600805 0.600807 0.733676 S\n",
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{
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"structure_string": "Ca2 Zn3 Ga1\n1.0\n4.470345 0.029494 3.608858\n2.197837 3.892862 3.608858\n0.011373 0.006690 7.277022\nCa Zn Ga\n2 3 1\ndirect\n0.458469 0.458468 0.792300 Ca\n0.542266 0.542264 0.205910 Ca\n0.163466 0.163465 0.383867 Zn\n0.164853 0.164853 0.786714 Zn\n0.835194 0.835191 0.220883 Zn\n0.835756 0.835754 0.610326 Ga\n",
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{
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"structure_string": "Fe1 H1 O2\n1.0\n2.897493 -0.000004 0.000096\n-1.448751 2.509290 -0.000189\n0.000125 -0.000248 4.447154\nFe H O\n1 1 2\ndirect\n0.999959 0.000024 0.995814 Fe\n0.666624 0.333238 0.539855 H\n0.333293 0.666731 0.192544 O\n0.666626 0.333310 0.761648 O\n",
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"spacegroup": 156
},
{
"id": "jvasp-100127",
"created_at": "2022-09-04T14:36:20.773730Z",
"updated_at": "2022-09-04T14:36:20.773749Z",
"structure_string": "Rb2 Li1 Mo1 I6\n1.0\n7.020683 0.000000 4.053394\n2.340227 6.619164 4.053394\n-0.000000 -0.000000 8.106787\nRb Li Mo 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 Li\n0.000000 0.000000 0.000000 Mo\n0.755237 0.244763 0.244763 I\n0.244763 0.244763 0.755237 I\n0.244763 0.755236 0.755237 I\n0.244763 0.755236 0.244763 I\n0.755237 0.244763 0.755237 I\n0.755237 0.755236 0.244763 I\n",
"nsites": 10,
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"volume": 376.7309216000683,
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-123917",
"created_at": "2022-09-04T14:38:26.039594Z",
"updated_at": "2022-09-04T14:38:26.039623Z",
"structure_string": "Mg1 Cu1\n1.0\n1.479251 -2.562139 0.000000\n1.479251 2.562139 0.000000\n0.000000 0.000000 4.217501\nMg Cu\n1 1\ndirect\n0.333333 0.666667 0.250000 Mg\n0.666667 0.333333 0.750000 Cu\n",
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"volume": 31.969051308087078,
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{
"id": "jvasp-119260",
"created_at": "2022-09-04T14:38:28.602372Z",
"updated_at": "2022-09-04T14:38:28.602391Z",
"structure_string": "Ti8 Mn4 O16\n1.0\n5.789204 -0.001064 1.741586\n3.157638 5.155304 -0.000176\n0.006886 -0.003913 10.470993\nTi Mn O\n8 4 16\ndirect\n0.499997 0.500001 0.000004 Ti\n0.500003 -0.000001 0.499996 Ti\n0.500026 0.249959 0.250005 Ti\n0.499974 0.750042 0.749994 Ti\n0.500026 0.750012 0.250006 Ti\n0.499973 0.249989 0.749994 Ti\n0.999982 0.750007 0.250004 Ti\n0.000019 0.249993 0.749996 Ti\n0.875014 0.812495 0.937470 Mn\n0.124987 0.187505 0.062527 Mn\n0.874981 0.312508 0.437526 Mn\n0.125017 0.687494 0.562475 Mn\n0.740062 0.610151 0.870039 O\n0.740096 0.110155 0.370051 O\n0.259897 0.350256 0.629951 O\n0.259925 0.850220 0.129967 O\n0.740073 0.149785 0.870033 O\n0.740106 0.649741 0.370048 O\n0.279747 0.610134 0.870047 O\n0.740069 0.379962 0.639885 O\n0.259868 0.120075 0.860157 O\n0.259931 0.620039 0.360114 O\n0.259907 0.889847 0.629947 O\n0.259935 0.389848 0.129961 O\n0.720257 0.389865 0.129954 O\n0.740131 0.879927 0.139843 O\n0.279704 0.110152 0.370056 O\n0.720293 0.889850 0.629943 O\n",
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"formula_full": "Ti8 Mn4 O16",
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"spacegroup": 227
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{
"id": "jvasp-120119",
"created_at": "2022-09-04T14:38:52.784386Z",
"updated_at": "2022-09-04T14:38:52.784411Z",
"structure_string": "Al1 As1 O2\n1.0\n2.699608 0.000000 0.000000\n0.000000 2.699608 0.000000\n-0.000000 0.000000 6.685624\nAl As O\n1 1 2\ndirect\n0.500001 0.500001 0.582997 Al\n0.000000 0.000000 0.068961 As\n0.000000 0.000000 0.517162 O\n0.500001 0.500001 0.840878 O\n",
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"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-39108",
"created_at": "2022-09-04T14:37:39.413333Z",
"updated_at": "2022-09-04T14:37:39.413364Z",
"structure_string": "Sc6 Cd2\n1.0\n3.172909 -5.495640 0.000000\n3.172909 5.495640 -0.000000\n-0.000000 0.000000 5.160148\nSc Cd\n6 2\ndirect\n0.662133 0.831066 0.750000 Sc\n0.168934 0.337867 0.750000 Sc\n0.168934 0.831066 0.750000 Sc\n0.337867 0.168934 0.250000 Sc\n0.831066 0.662133 0.250000 Sc\n0.831066 0.168934 0.250000 Sc\n0.333333 0.666667 0.250000 Cd\n0.666667 0.333333 0.750000 Cd\n",
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},
{
"id": "jvasp-113486",
"created_at": "2022-09-04T14:38:49.417117Z",
"updated_at": "2022-09-04T14:38:49.417145Z",
"structure_string": "Ba1 I2\n1.0\n5.493711 1.872449 0.860099\n-4.080292 -7.070138 1.433951\n-2.390570 0.271859 -5.332320\nBa I\n1 2\ndirect\n0.703840 0.053436 0.178721 Ba\n0.704009 0.303902 0.678135 I\n0.703549 0.802906 0.679195 I\n",
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},
{
"id": "jvasp-86367",
"created_at": "2022-09-04T14:36:17.208903Z",
"updated_at": "2022-09-04T14:36:17.208921Z",
"structure_string": "Ni4 S8\n1.0\n5.633267 -0.000000 0.000000\n0.000000 5.633267 0.000000\n0.000000 -0.000000 5.633267\nNi S\n4 8\ndirect\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.393186 0.106814 0.893186 S\n0.106814 0.893186 0.393186 S\n0.893186 0.393186 0.106814 S\n0.606814 0.606814 0.606814 S\n0.393186 0.393186 0.393186 S\n0.106814 0.606814 0.893186 S\n0.893186 0.106814 0.606814 S\n0.606814 0.893186 0.106814 S\n",
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{
"id": "jvasp-30120",
"created_at": "2022-09-04T14:38:04.842868Z",
"updated_at": "2022-09-04T14:38:04.842888Z",
"structure_string": "Mo4 O12\n1.0\n4.954937 0.000000 0.000000\n0.000000 5.281679 1.001726\n0.000000 1.630384 8.314230\nMo O\n4 12\ndirect\n0.019072 0.959351 0.968358 Mo\n0.480928 0.459351 0.968358 Mo\n0.519132 0.704586 0.470924 Mo\n0.980869 0.204586 0.470923 Mo\n0.284373 0.028982 0.448069 O\n0.215628 0.528982 0.448070 O\n0.366705 0.582586 0.764237 O\n0.133295 0.082586 0.764237 O\n0.724455 0.408187 0.573699 O\n0.775545 0.908187 0.573699 O\n0.660477 0.821995 0.273955 O\n0.839524 0.321995 0.273954 O\n0.247411 0.680061 0.067830 O\n0.252589 0.180061 0.067830 O\n0.731904 0.763048 0.953733 O\n0.768097 0.263048 0.953733 O\n",
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{
"id": "jvasp-108959",
"created_at": "2022-09-04T14:37:58.689435Z",
"updated_at": "2022-09-04T14:37:58.689457Z",
"structure_string": "Ca1 Fe1 O2\n1.0\n3.826279 -0.000000 0.000000\n0.000000 3.826279 0.000000\n-0.000000 -0.000000 3.178879\nCa Fe O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Fe\n-0.000000 0.500000 -0.000000 O\n0.500000 0.000000 -0.000000 O\n",
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}
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}