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"results": [
{
"id": "jvasp-34779",
"created_at": "2022-09-04T14:37:13.251245Z",
"updated_at": "2022-09-04T14:37:13.251270Z",
"structure_string": "Cu4 Cl4 O2\n1.0\n5.721985 0.031465 -2.333239\n-2.541064 5.126900 -2.333239\n-0.036132 -0.058593 6.179033\nCu Cl O\n4 4 2\ndirect\n0.000000 0.500000 0.000000 Cu\n0.500001 0.500000 0.500000 Cu\n0.500001 -0.000000 0.500000 Cu\n0.500001 0.500000 -0.000000 Cu\n0.672178 0.922176 0.844353 Cl\n0.077825 0.327824 0.655647 Cl\n0.922177 0.672175 0.344353 Cl\n0.327824 0.077824 0.155647 Cl\n0.375001 0.625000 0.250000 O\n0.625001 0.375000 0.750000 O\n",
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{
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"updated_at": "2022-09-04T14:36:03.285579Z",
"structure_string": "Rb2 Nb2 Ge6 O18\n1.0\n7.124373 -0.000000 0.000000\n-3.562186 6.169889 -0.000000\n-0.000000 -0.000000 10.350850\nRb Nb Ge O\n2 2 6 18\ndirect\n0.666667 0.333333 0.000000 Rb\n0.666667 0.333333 0.500000 Rb\n0.333333 0.666667 0.000000 Nb\n0.333333 0.666667 0.500000 Nb\n0.073846 0.784597 0.750000 Ge\n0.710750 0.926154 0.750000 Ge\n0.215403 0.289249 0.750000 Ge\n0.215403 0.926154 0.250000 Ge\n0.073846 0.289249 0.250000 Ge\n0.710750 0.784597 0.250000 Ge\n0.560945 0.659002 0.110170 O\n0.098057 0.659002 0.610170 O\n0.340998 0.439055 0.610170 O\n0.098057 0.659002 0.889830 O\n0.340998 0.439055 0.889830 O\n0.560945 0.901943 0.889830 O\n0.340998 0.901943 0.110170 O\n0.560945 0.659002 0.389830 O\n0.801034 0.733271 0.750000 O\n0.098057 0.439055 0.110170 O\n0.266730 0.067764 0.750000 O\n0.932235 0.198966 0.750000 O\n0.098057 0.439055 0.389830 O\n0.801034 0.067764 0.250000 O\n0.932235 0.733271 0.250000 O\n0.266729 0.198966 0.250000 O\n0.340998 0.901943 0.389830 O\n0.560945 0.901943 0.610170 O\n",
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{
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"created_at": "2022-09-04T14:36:36.777262Z",
"updated_at": "2022-09-04T14:36:36.777287Z",
"structure_string": "Li4 Ti4 Fe2 O12\n1.0\n5.000869 -0.023857 -0.000000\n-2.533742 4.311544 0.000000\n0.000000 0.000000 10.241536\nLi Ti Fe O\n4 4 2 12\ndirect\n0.152011 0.652010 0.750000 Li\n0.347989 0.847988 0.250000 Li\n0.652011 0.152011 0.750000 Li\n0.847989 0.347988 0.250000 Li\n0.160126 0.839873 0.500000 Ti\n0.339874 0.660125 0.000000 Ti\n0.660126 0.339873 0.000000 Ti\n0.839874 0.160125 0.500000 Ti\n0.000000 0.000000 0.000000 Fe\n0.500000 0.499999 0.500000 Fe\n0.506377 0.162601 0.390745 O\n0.835072 0.835070 0.394405 O\n0.337399 0.993622 0.890745 O\n0.664928 0.664927 0.894405 O\n0.335072 0.335071 0.105596 O\n0.006377 0.662600 0.109255 O\n0.493623 0.837398 0.609255 O\n0.162601 0.506376 0.390745 O\n0.993623 0.337398 0.890745 O\n0.837399 0.493622 0.609255 O\n0.164928 0.164928 0.605596 O\n0.662601 0.006376 0.109255 O\n",
"nsites": 22,
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],
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"formula_full": "Li4 Ti4 Fe2 O12",
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{
"id": "jvasp-7640",
"created_at": "2022-09-04T14:36:32.139584Z",
"updated_at": "2022-09-04T14:36:32.139609Z",
"structure_string": "K1 Zn1 Sb1\n1.0\n2.280226 -3.949468 0.000000\n2.280226 3.949468 -0.000000\n-0.000000 0.000000 5.290211\nK Zn Sb\n1 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.333334 0.666668 0.500000 Zn\n0.666668 0.333334 0.500000 Sb\n",
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{
"id": "jvasp-22894",
"created_at": "2022-09-04T14:38:19.543485Z",
"updated_at": "2022-09-04T14:38:19.543495Z",
"structure_string": "Rb4 Si6 Sn2 O18\n1.0\n3.517550 -6.092576 -0.000000\n3.517550 6.092576 -0.000000\n-0.000000 0.000000 10.177131\nRb Si Sn O\n4 6 2 18\ndirect\n0.333333 0.666667 0.940538 Rb\n0.666667 0.333333 0.440538 Rb\n0.333333 0.666667 0.559462 Rb\n0.666667 0.333333 0.059462 Rb\n0.134370 0.751749 0.250000 Si\n0.248251 0.382622 0.250000 Si\n0.382622 0.134370 0.750000 Si\n0.865630 0.248251 0.750000 Si\n0.617378 0.865629 0.250000 Si\n0.751749 0.617378 0.750000 Si\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.227447 0.255296 0.386181 O\n0.912473 0.506710 0.750000 O\n0.087527 0.493289 0.250000 O\n0.405762 0.912473 0.250000 O\n0.493289 0.405763 0.750000 O\n0.255296 0.027849 0.886181 O\n0.027849 0.772553 0.386181 O\n0.772553 0.744704 0.886181 O\n0.227447 0.255296 0.113819 O\n0.744704 0.972151 0.386181 O\n0.744704 0.972151 0.113819 O\n0.972151 0.227446 0.613819 O\n0.772553 0.744704 0.613819 O\n0.594238 0.087527 0.750000 O\n0.027849 0.772553 0.113819 O\n0.255296 0.027849 0.613819 O\n0.972151 0.227446 0.886181 O\n0.506711 0.594237 0.250000 O\n",
"nsites": 30,
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"Sn",
"O"
],
"chemical_system": "O-Rb-Si-Sn",
"density": 3.9429896913008946,
"density_atomic": 0.06877405941507868,
"volume": 436.2109820933809,
"volume_molar": 8.756413117413931,
"formula_full": "Rb4 Si6 Sn2 O18",
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"spacegroup": 176
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{
"id": "jvasp-34591",
"created_at": "2022-09-04T14:36:40.023153Z",
"updated_at": "2022-09-04T14:36:40.023172Z",
"structure_string": "Li2 Y2 F8\n1.0\n4.808776 0.214775 -1.905646\n-1.010443 4.659626 -2.019662\n-0.198020 -0.093162 6.519570\nLi Y F\n2 2 8\ndirect\n0.374896 0.124896 0.749792 Li\n0.625106 0.875106 0.250209 Li\n0.124985 0.374985 0.249968 Y\n0.875018 0.625018 0.750033 Y\n0.457479 0.764400 0.588264 F\n0.264428 0.630981 0.088300 F\n0.869217 0.676137 0.411738 F\n0.823874 0.957321 0.088301 F\n0.542523 0.235602 0.411737 F\n0.130786 0.323865 0.588263 F\n0.176128 0.042681 0.911701 F\n0.735574 0.369021 0.911701 F\n",
"nsites": 12,
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"density_atomic": 0.08290563449967546,
"volume": 144.74287631254995,
"volume_molar": 7.263849793012047,
"formula_full": "Li2 Y2 F8",
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"formula_anonymous": "ABC4",
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"spacegroup": 88
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{
"id": "jvasp-14156",
"created_at": "2022-09-04T14:36:02.035591Z",
"updated_at": "2022-09-04T14:36:02.035611Z",
"structure_string": "Li2 Y2 F8\n1.0\n4.761741 -0.000020 -2.032635\n-0.867695 4.682318 -2.032538\n-0.030031 -0.035984 6.523180\nLi Y F\n2 2 8\ndirect\n0.125000 0.375032 0.250024 Li\n0.875001 0.624970 0.749977 Li\n0.375013 0.125009 0.750004 Y\n0.624988 0.874992 0.249997 Y\n0.676171 0.542584 0.911752 F\n0.369187 0.176173 0.411748 F\n0.764428 0.130823 0.088252 F\n0.957409 0.264411 0.588230 F\n0.630814 0.823829 0.588253 F\n0.323830 0.457417 0.088249 F\n0.235573 0.869178 0.911749 F\n0.042593 0.735590 0.411771 F\n",
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],
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"density_atomic": 0.08290552867982379,
"volume": 144.74306106102145,
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{
"id": "jvasp-63906",
"created_at": "2022-09-04T14:36:21.996010Z",
"updated_at": "2022-09-04T14:36:21.996025Z",
"structure_string": "Ba1 Zr1 Br1\n1.0\n0.000000 4.019786 4.019786\n4.019786 -0.000000 4.019786\n4.019786 4.019786 0.000000\nBa Zr Br\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
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"elements": [
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"volume": 129.90886715097992,
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},
{
"id": "jvasp-43562",
"created_at": "2022-09-04T14:35:57.839783Z",
"updated_at": "2022-09-04T14:35:57.839804Z",
"structure_string": "Li8 Fe4 O8 F4\n1.0\n5.067367 0.000000 0.119139\n-2.533683 4.231604 -0.059570\n-1.473171 0.000000 9.449930\nLi Fe O F\n8 4 8 4\ndirect\n0.183957 0.865372 0.503002 Li\n0.000000 0.500000 -0.000000 Li\n0.074132 0.148264 0.250000 Li\n0.681417 0.865372 -0.003002 Li\n0.500001 0.500000 0.500000 Li\n0.318584 0.134627 0.003002 Li\n0.925869 0.851735 0.750000 Li\n0.816044 0.134627 0.496998 Li\n0.574782 0.149563 0.750000 Fe\n0.750969 0.501934 0.250000 Fe\n0.249032 0.498065 0.750000 Fe\n0.425219 0.850436 0.250000 Fe\n0.054732 0.813361 0.141441 O\n0.304826 0.829161 0.863552 O\n0.524338 0.829161 0.636448 O\n0.241371 0.186638 0.641441 O\n0.758630 0.813361 0.358559 O\n0.475663 0.170839 0.363552 O\n0.695175 0.170839 0.136448 O\n0.945269 0.186638 0.858559 O\n0.355656 0.503387 0.115877 F\n0.147731 0.503387 0.384123 F\n0.644345 0.496612 0.884123 F\n0.852270 0.496612 0.615877 F\n",
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"formula_full": "Li8 Fe4 O8 F4",
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{
"id": "jvasp-106871",
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"structure_string": "Co2 H4 O4\n1.0\n3.144147 0.000041 -0.000012\n-0.000061 4.569049 -0.123186\n0.000025 0.149406 5.446023\nCo H O\n2 4 4\ndirect\n0.437225 -0.000001 0.500000 Co\n0.937215 -0.000001 0.000001 Co\n0.937212 0.555449 0.333498 H\n0.437205 0.555447 0.833501 H\n0.437210 0.444555 0.166498 H\n0.937208 0.444552 0.666502 H\n0.937215 0.769109 0.333404 O\n0.437201 0.769107 0.833405 O\n0.437202 0.230895 0.166594 O\n0.937214 0.230892 0.666595 O\n",
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"volume": 78.29413584828033,
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},
{
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"updated_at": "2022-09-04T14:36:45.602861Z",
"structure_string": "Nd1 Al2 Si2\n1.0\n4.250519 -0.000000 0.000000\n-2.125260 3.681058 -0.000000\n0.000000 -0.000000 6.847349\nNd Al Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.333333 0.666667 0.641763 Al\n0.666667 0.333333 0.358237 Al\n0.333333 0.666667 0.268986 Si\n0.666667 0.333333 0.731014 Si\n",
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},
{
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"created_at": "2022-09-04T14:35:53.321689Z",
"updated_at": "2022-09-04T14:35:53.321717Z",
"structure_string": "Sc2 Be1 Ga1\n1.0\n-1.968246 1.968246 4.583987\n1.968246 -1.968246 4.583987\n1.968246 1.968246 -4.583987\nSc Be Ga\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.250000 0.750001 0.500001 Sc\n0.500000 0.500000 0.000000 Be\n0.750001 0.250000 0.500001 Ga\n",
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}
]
}