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{
"id": "jvasp-22601",
"created_at": "2022-09-04T14:36:17.890728Z",
"updated_at": "2022-09-04T14:36:17.890759Z",
"structure_string": "Rb2 Mn1 F6\n1.0\n5.165493 0.000000 2.982299\n1.721831 4.870074 2.982299\n0.000000 0.000000 5.964598\nRb Mn F\n2 1 6\ndirect\n0.750000 0.749999 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Mn\n0.217131 0.782868 0.782870 F\n0.217131 0.782868 0.217132 F\n0.782869 0.217131 0.782870 F\n0.782869 0.217131 0.217132 F\n0.782869 0.782868 0.217132 F\n0.217131 0.217131 0.782869 F\n",
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{
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"structure_string": "K2 Bi1 Au1 Cl6\n1.0\n6.562361 0.000000 3.788781\n2.187453 6.187053 3.788781\n-0.000000 -0.000000 7.577561\nK Bi Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Au\n0.747157 0.252843 0.252843 Cl\n0.252843 0.252843 0.747157 Cl\n0.252843 0.747157 0.747157 Cl\n0.252843 0.747157 0.252843 Cl\n0.747157 0.252843 0.747157 Cl\n0.747157 0.747157 0.252843 Cl\n",
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{
"id": "jvasp-30670",
"created_at": "2022-09-04T14:37:08.046021Z",
"updated_at": "2022-09-04T14:37:08.046055Z",
"structure_string": "Cr2 O4\n1.0\n2.858978 0.000000 0.000000\n-1.429489 2.475948 -0.000000\n0.000000 -0.000000 10.477885\nCr O\n2 4\ndirect\n0.666668 0.333333 0.750000 Cr\n0.333333 0.666668 0.250000 Cr\n0.333333 0.666668 0.407172 O\n0.666668 0.333333 0.907172 O\n0.333333 0.666668 0.092827 O\n0.666668 0.333333 0.592827 O\n",
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"volume": 74.1696040147678,
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"formula_full": "Cr2 O4",
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"spacegroup": 194
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{
"id": "jvasp-36801",
"created_at": "2022-09-04T14:38:03.837313Z",
"updated_at": "2022-09-04T14:38:03.837344Z",
"structure_string": "Ag2 Cl2 O4\n1.0\n1.999876 -2.854040 -0.007141\n3.877529 2.673678 -1.178320\n3.767815 2.596278 8.287483\nAg Cl O\n2 2 4\ndirect\n-0.000001 0.500000 0.500000 Ag\n0.500000 0.000000 0.500000 Ag\n0.750000 0.351687 0.296627 Cl\n0.249999 0.648313 0.703373 Cl\n0.751344 0.910281 0.925458 O\n0.748654 0.164261 0.925458 O\n0.251345 0.835739 0.074541 O\n0.248655 0.089720 0.074541 O\n",
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"volume": 154.81704278725437,
"volume_molar": 11.654125296397355,
"formula_full": "Ag2 Cl2 O4",
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"formula_anonymous": "ABC2",
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"spacegroup": 15
},
{
"id": "jvasp-56635",
"created_at": "2022-09-04T14:37:36.050463Z",
"updated_at": "2022-09-04T14:37:36.050484Z",
"structure_string": "Na1 Fe1 Se2 O8\n1.0\n4.968414 -0.039948 0.160245\n1.918548 4.583221 0.160245\n-0.018049 -0.011907 7.047957\nNa Fe Se O\n1 1 2 8\ndirect\n0.000000 -0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Fe\n0.365592 0.365591 0.769963 Se\n0.634408 0.634407 0.230039 Se\n0.763067 0.267512 0.210722 O\n0.284398 0.284397 0.562280 O\n0.236933 0.732487 0.789280 O\n0.267513 0.763067 0.210722 O\n0.763079 0.763078 0.039044 O\n0.732487 0.236932 0.789280 O\n0.236921 0.236920 0.960958 O\n0.715602 0.715601 0.437722 O\n",
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"volume": 161.050782083426,
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{
"id": "jvasp-114428",
"created_at": "2022-09-04T14:38:40.871805Z",
"updated_at": "2022-09-04T14:38:40.871829Z",
"structure_string": "As1 S1 F2\n1.0\n3.751008 0.000000 -0.000000\n0.000000 3.751008 0.000000\n-0.000000 -0.000000 4.549795\nAs S F\n1 1 2\ndirect\n0.500000 0.500000 0.785847 As\n0.000000 0.000000 0.727446 S\n0.000000 0.000000 0.108970 F\n0.500000 0.500000 0.387735 F\n",
"nsites": 4,
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"density": 3.760794360174679,
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"volume": 64.0158932605829,
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"formula_full": "As1 S1 F2",
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{
"id": "jvasp-68967",
"created_at": "2022-09-04T14:35:48.799858Z",
"updated_at": "2022-09-04T14:35:48.799876Z",
"structure_string": "Ba1 Si1 Cl2\n1.0\n4.946394 0.000000 -0.000000\n0.000000 4.946394 -0.000000\n0.000000 0.000000 4.264939\nBa Si Cl\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Si\n0.500000 0.000000 0.000000 Cl\n0.000000 0.500000 0.000000 Cl\n",
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"density_atomic": 0.03833273033600715,
"volume": 104.34946754217174,
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"formula_full": "Ba1 Si1 Cl2",
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{
"id": "jvasp-115676",
"created_at": "2022-09-04T14:38:45.500488Z",
"updated_at": "2022-09-04T14:38:45.500524Z",
"structure_string": "I1 Br1 Cl1\n1.0\n3.477819 -0.000000 -0.000000\n-0.000000 3.477819 0.000000\n-0.000000 0.000000 8.844395\nI Br Cl\n1 1 1\ndirect\n0.000000 0.000000 0.685840 I\n0.000000 0.000000 0.013749 Br\n0.000000 0.000000 0.270019 Cl\n",
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{
"id": "jvasp-112784",
"created_at": "2022-09-04T14:38:44.149981Z",
"updated_at": "2022-09-04T14:38:44.150008Z",
"structure_string": "Fe6 S6 O18\n1.0\n7.315273 0.020411 -2.587297\n-3.663978 6.340267 -2.566105\n0.005623 -0.016717 7.759179\nFe S O\n6 6 18\ndirect\n0.307608 0.119108 0.805979 Fe\n0.194014 0.692401 0.880895 Fe\n0.880888 0.194008 0.692393 Fe\n0.805984 0.307595 0.119096 Fe\n0.119108 0.805996 0.307606 Fe\n0.692378 0.880894 0.194007 Fe\n0.526810 0.844558 0.702147 S\n0.844588 0.702176 0.526819 S\n0.702168 0.526816 0.844584 S\n0.155409 0.297832 0.473183 S\n0.297837 0.473189 0.155427 S\n0.473181 0.155433 0.297838 S\n0.873623 0.485688 0.809951 O\n0.836795 0.738072 0.060966 O\n0.261926 0.939059 0.163200 O\n0.939034 0.163191 0.261927 O\n0.163207 0.261935 0.939042 O\n0.485670 0.809914 0.873595 O\n0.809943 0.873619 0.485679 O\n0.514329 0.190060 0.126388 O\n0.639269 0.094513 0.393215 O\n0.126390 0.514323 0.190071 O\n0.360724 0.905485 0.606784 O\n0.905489 0.606791 0.360714 O\n0.606799 0.360715 0.905491 O\n0.060969 0.836813 0.738075 O\n0.094502 0.393206 0.639288 O\n0.393205 0.639287 0.094516 O\n0.190065 0.126392 0.514326 O\n0.738071 0.060931 0.836796 O\n",
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{
"id": "jvasp-30304",
"created_at": "2022-09-04T14:37:56.840972Z",
"updated_at": "2022-09-04T14:37:56.840995Z",
"structure_string": "Li4 Dy2 P2 C2 O14\n1.0\n9.545472 0.000000 0.343865\n0.000000 6.593651 0.000000\n0.477684 0.000000 4.666770\nLi Dy P C O\n4 2 2 2 14\ndirect\n0.163051 0.997016 0.209214 Li\n0.163051 0.502984 0.209214 Li\n0.836949 0.497016 0.790785 Li\n0.836949 0.002984 0.790785 Li\n0.373804 0.750000 0.735575 Dy\n0.626196 0.250000 0.264424 Dy\n0.385506 0.250000 0.756337 P\n0.614494 0.750000 0.243662 P\n0.074695 0.750000 0.718488 C\n0.925305 0.250000 0.281511 C\n0.822983 0.250000 0.502246 O\n0.690682 0.940865 0.112930 O\n0.690682 0.559135 0.112930 O\n0.545479 0.250000 0.800374 O\n0.607802 0.750000 0.575834 O\n0.392198 0.250000 0.424165 O\n0.114650 0.750000 0.971092 O\n0.309318 0.440865 0.887069 O\n0.309318 0.059135 0.887069 O\n0.177017 0.750000 0.497753 O\n0.885350 0.250000 0.028907 O\n0.055050 0.250000 0.320432 O\n0.454521 0.750000 0.199625 O\n0.944950 0.750000 0.679567 O\n",
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{
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"updated_at": "2022-09-04T14:37:56.787008Z",
"structure_string": "Sr2 H4 Se4 O12\n1.0\n5.932424 -0.006559 -0.017507\n-2.053424 6.997195 0.111454\n-1.930955 -1.474874 7.295013\nSr H Se O\n2 4 4 12\ndirect\n0.331894 0.717259 0.551411 Sr\n0.668105 0.282742 0.448588 Sr\n0.066473 0.955269 0.303478 H\n0.247465 0.964713 0.056136 H\n0.752534 0.035288 0.943862 H\n0.933526 0.044732 0.696521 H\n0.076875 0.302323 0.138281 Se\n0.351167 0.237905 0.777002 Se\n0.648832 0.762096 0.222997 Se\n0.923124 0.697677 0.861718 Se\n0.971903 0.588885 0.678397 O\n0.548861 0.556782 0.305634 O\n0.776476 0.859080 0.783852 O\n0.430727 0.080710 0.647933 O\n0.569272 0.919291 0.352066 O\n0.237879 0.865593 0.950810 O\n0.451138 0.443218 0.694365 O\n0.028096 0.411116 0.321602 O\n0.016867 0.172973 0.664524 O\n0.983132 0.827028 0.335475 O\n0.223523 0.140920 0.216147 O\n0.762120 0.134409 0.049188 O\n",
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{
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"structure_string": "Mg2 Mo2 F10\n1.0\n5.026263 0.091902 -1.927761\n-2.015747 4.942476 -0.704778\n-0.112508 -0.038466 7.649214\nMg Mo F\n2 2 10\ndirect\n0.271838 0.521839 0.749999 Mg\n0.728160 0.478161 0.250000 Mg\n0.000000 0.000000 0.000000 Mo\n0.499999 -0.000001 0.500000 Mo\n0.391194 0.141195 0.250000 F\n0.608804 0.858805 0.749999 F\n0.563670 0.696756 0.355077 F\n0.841677 0.208593 0.144922 F\n0.759181 0.668488 0.049348 F\n0.119139 0.709834 0.450651 F\n0.240818 0.331512 0.950651 F\n0.880859 0.290166 0.549348 F\n0.158321 0.791407 0.855076 F\n0.436329 0.303243 0.644922 F\n",
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]
}