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{
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"results": [
{
"id": "jvasp-22604",
"created_at": "2022-09-04T14:36:36.979884Z",
"updated_at": "2022-09-04T14:36:36.979908Z",
"structure_string": "Cr4 F10\n1.0\n4.735514 -0.290811 1.983051\n-0.705039 4.691757 1.983051\n-0.136611 -0.149167 7.228574\nCr F\n4 10\ndirect\n0.000000 -0.000000 0.500000 Cr\n0.499999 0.500000 -0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.688706 0.185634 0.547175 F\n0.314366 0.811293 0.952824 F\n0.311293 0.814367 0.452824 F\n0.685633 0.188707 0.047175 F\n0.161389 0.338611 0.750000 F\n0.838610 0.661389 0.250000 F\n0.872882 0.820404 0.841283 F\n0.679596 0.627118 0.658716 F\n0.127118 0.179596 0.158716 F\n0.320403 0.372882 0.341283 F\n",
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{
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"updated_at": "2022-09-04T14:36:07.481772Z",
"structure_string": "K12 Pb4 O10\n1.0\n6.357996 -0.020753 0.664292\n0.109437 7.470440 1.471097\n-0.008186 -0.025274 12.495587\nK Pb O\n12 4 10\ndirect\n0.781015 0.701710 0.124766 K\n0.588796 0.867219 0.625940 K\n0.411204 0.132782 0.374060 K\n0.218985 0.298291 0.875234 K\n0.435440 0.609904 0.364773 K\n0.564561 0.390096 0.635228 K\n0.920242 0.407940 0.384289 K\n0.079759 0.592060 0.615711 K\n0.315826 0.950149 0.122717 K\n0.684174 0.049852 0.877283 K\n0.304481 0.484735 0.123597 K\n0.695519 0.515266 0.876403 K\n0.915370 0.873001 0.355346 Pb\n0.237098 0.788747 0.865368 Pb\n0.762903 0.211254 0.134632 Pb\n0.084631 0.127000 0.644655 Pb\n0.646288 0.946705 0.244271 O\n0.353712 0.053296 0.755729 O\n0.516236 0.243799 0.024111 O\n0.483764 0.756202 0.975889 O\n0.746163 0.673840 0.480771 O\n0.253837 0.326161 0.519229 O\n0.622256 0.385212 0.242835 O\n0.377745 0.614789 0.757165 O\n0.084016 0.693395 0.258013 O\n0.915984 0.306606 0.741987 O\n",
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"chemical_system": "K-O-Pb",
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"volume": 593.8070499107065,
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"formula_full": "K12 Pb4 O10",
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"formula_anonymous": "A2B5C6",
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"spacegroup": 2
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{
"id": "jvasp-64228",
"created_at": "2022-09-04T14:36:18.955381Z",
"updated_at": "2022-09-04T14:36:18.955413Z",
"structure_string": "Ba4 Sc1 Zn1\n1.0\n-0.000000 5.121536 5.121536\n5.121536 0.000000 5.121536\n5.121536 5.121536 0.000000\nBa Sc Zn\n4 1 1\ndirect\n0.124739 0.625088 0.625088 Ba\n0.625088 0.625088 0.625088 Ba\n0.625088 0.124739 0.625088 Ba\n0.625088 0.625088 0.124739 Ba\n0.250000 0.250000 0.250000 Sc\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 6,
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"volume": 268.67712039522087,
"volume_molar": 26.96685730019145,
"formula_full": "Ba4 Sc1 Zn1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-65169",
"created_at": "2022-09-04T14:36:15.476023Z",
"updated_at": "2022-09-04T14:36:15.476033Z",
"structure_string": "Y1 Be1 Br4\n1.0\n-0.000000 4.397394 4.397394\n4.397394 0.000000 4.397394\n4.397394 4.397394 0.000000\nY Be Br\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Y\n0.000000 0.000000 0.000000 Be\n0.125774 0.624741 0.624741 Br\n0.624741 0.624741 0.624741 Br\n0.624741 0.125774 0.624741 Br\n0.624741 0.624741 0.125774 Br\n",
"nsites": 6,
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"density": 4.076851032034575,
"density_atomic": 0.03528053126114699,
"volume": 170.06546629323452,
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"formula_full": "Y1 Be1 Br4",
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"spacegroup": 216
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{
"id": "jvasp-10352",
"created_at": "2022-09-04T14:37:28.719258Z",
"updated_at": "2022-09-04T14:37:28.719281Z",
"structure_string": "Zn2 Cr4 O10\n1.0\n3.583366 0.000000 0.000000\n-1.791683 4.995542 -0.000000\n0.000000 0.000000 11.349427\nZn Cr O\n2 4 10\ndirect\n0.911723 0.823441 0.750000 Zn\n0.088280 0.176559 0.250000 Zn\n0.212884 0.425767 0.597412 Cr\n0.787119 0.574233 0.402588 Cr\n0.787119 0.574233 0.097413 Cr\n0.212884 0.425767 0.902589 Cr\n0.695589 0.391175 0.250000 O\n0.304414 0.608826 0.750000 O\n0.227906 0.455810 0.073898 O\n0.772098 0.544191 0.926102 O\n0.772098 0.544191 0.573898 O\n0.227906 0.455810 0.426101 O\n0.049485 0.098970 0.626378 O\n0.950516 0.901028 0.373622 O\n0.049485 0.098970 0.873622 O\n0.950516 0.901028 0.126379 O\n",
"nsites": 16,
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"elements": [
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"chemical_system": "Cr-O-Zn",
"density": 4.076849586964018,
"density_atomic": 0.07875393512392505,
"volume": 203.16445108200418,
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"formula_full": "Zn2 Cr4 O10",
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"spacegroup": 63
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{
"id": "jvasp-68900",
"created_at": "2022-09-04T14:36:01.137254Z",
"updated_at": "2022-09-04T14:36:01.137271Z",
"structure_string": "Sr1 Zr1 Be2\n1.0\n3.426698 0.000000 -0.000000\n0.000000 3.426698 0.000000\n0.000000 0.000000 6.828869\nSr Zr Be\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Sr\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.673866 Be\n0.000000 0.000000 0.326134 Be\n",
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"density": 4.076848622191754,
"density_atomic": 0.0498838020892686,
"volume": 80.18634972614711,
"volume_molar": 12.072337127036135,
"formula_full": "Sr1 Zr1 Be2",
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"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-93146",
"created_at": "2022-09-04T14:36:03.220407Z",
"updated_at": "2022-09-04T14:36:03.220431Z",
"structure_string": "Ce1 Hf1 Mg6\n1.0\n6.629792 -0.072806 0.000000\n-3.377948 5.705165 0.000000\n0.000000 0.000000 5.034253\nCe Hf Mg\n1 1 6\ndirect\n0.189952 0.310048 0.250000 Ce\n0.314110 0.185890 0.750000 Hf\n0.184166 0.832052 0.250000 Mg\n0.667948 0.315834 0.250000 Mg\n0.667336 0.832664 0.250000 Mg\n0.327843 0.678794 0.750000 Mg\n0.821206 0.172156 0.750000 Mg\n0.827437 0.672562 0.750000 Mg\n",
"nsites": 8,
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"density": 4.076663447003633,
"density_atomic": 0.042288265539254875,
"volume": 189.17777539430767,
"volume_molar": 14.240689901102316,
"formula_full": "Ce1 Hf1 Mg6",
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"spacegroup": 38
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{
"id": "jvasp-48908",
"created_at": "2022-09-04T14:35:44.024732Z",
"updated_at": "2022-09-04T14:35:44.024757Z",
"structure_string": "Li4 Ni2 O4 F2\n1.0\n1.439097 -2.492588 0.000000\n1.439097 2.492588 -0.000000\n0.000000 -0.000000 14.032300\nLi Ni O F\n4 2 4 2\ndirect\n-0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.333334 0.666668 0.163993 Li\n0.666668 0.333334 0.836007 Li\n0.333334 0.666668 0.667480 Ni\n0.666668 0.333334 0.332520 Ni\n-0.000000 0.000000 0.742342 O\n0.333334 0.666668 0.407764 O\n-0.000000 0.000000 0.257658 O\n0.666668 0.333334 0.592236 O\n0.333334 0.666668 0.917755 F\n0.666668 0.333334 0.082245 F\n",
"nsites": 12,
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"volume": 100.66985066899012,
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"formula_full": "Li4 Ni2 O4 F2",
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"spacegroup": 164
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{
"id": "jvasp-120372",
"created_at": "2022-09-04T14:38:53.805858Z",
"updated_at": "2022-09-04T14:38:53.805879Z",
"structure_string": "As1 C2\n1.0\n5.511094 0.000000 0.000000\n0.000000 2.824053 0.000000\n0.000000 0.000000 2.589539\nAs C\n1 2\ndirect\n0.466631 0.000000 0.000000 As\n-0.033316 0.000000 0.749449 C\n-0.033316 0.000000 0.250550 C\n",
"nsites": 3,
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"volume": 40.302604969381605,
"volume_molar": 8.090265337343052,
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{
"id": "jvasp-112867",
"created_at": "2022-09-04T14:38:42.814698Z",
"updated_at": "2022-09-04T14:38:42.814721Z",
"structure_string": "Ag2 H6 Br2 N2\n1.0\n5.884654 -0.000000 0.000000\n0.000000 4.212099 0.507468\n-0.000000 -0.105519 6.719163\nAg H Br N\n2 6 2 2\ndirect\n0.749999 0.342579 0.028909 Ag\n0.250000 0.657421 0.971091 Ag\n0.749999 0.381326 0.432013 H\n0.250000 0.618674 0.567987 H\n0.890778 0.692307 0.322374 H\n0.390778 0.307692 0.677626 H\n0.109221 0.307692 0.677626 H\n0.609221 0.692307 0.322374 H\n0.749999 0.979848 0.750205 Br\n0.250000 0.020151 0.249795 Br\n0.749999 0.551970 0.311770 N\n0.250000 0.448030 0.688229 N\n",
"nsites": 12,
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"elements": [
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],
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"density": 4.076235026525395,
"density_atomic": 0.07191602077080249,
"volume": 166.8612900350006,
"volume_molar": 8.373851466549656,
"formula_full": "Ag2 H6 Br2 N2",
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"formula_anonymous": "ABCD3",
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"spacegroup": 11
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{
"id": "jvasp-42764",
"created_at": "2022-09-04T14:35:50.553830Z",
"updated_at": "2022-09-04T14:35:50.553858Z",
"structure_string": "Mn6 O2 F10\n1.0\n0.000000 4.845608 0.001610\n3.202233 0.000000 0.000000\n0.000000 -0.635058 -14.482418\nMn O F\n6 2 10\ndirect\n0.000000 0.000000 0.000000 Mn\n0.016980 0.000000 0.673225 Mn\n0.983020 0.000000 0.326775 Mn\n0.472894 0.499999 0.823928 Mn\n0.500000 0.499999 0.500000 Mn\n0.527106 0.499999 0.176072 Mn\n0.695652 0.000000 0.232743 O\n0.304348 0.000000 0.767257 O\n0.206354 0.499999 0.938265 F\n0.307713 0.000000 0.106632 F\n0.294405 0.000000 0.429916 F\n0.705595 0.000000 0.570084 F\n0.807404 0.499999 0.730957 F\n0.793646 0.499999 0.061735 F\n0.807293 0.499999 0.402317 F\n0.192707 0.499999 0.597683 F\n0.692287 0.000000 0.893368 F\n0.192596 0.499999 0.269043 F\n",
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"spacegroup": 10
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{
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"created_at": "2022-09-04T14:37:32.114041Z",
"updated_at": "2022-09-04T14:37:32.114064Z",
"structure_string": "Zr2 N2 Cl2\n1.0\n3.443504 -0.000139 0.000390\n-1.721873 2.982257 0.000358\n0.001344 0.002314 11.162792\nZr N Cl\n2 2 2\ndirect\n-0.000161 -0.000114 0.803679 Zr\n0.000159 0.000113 0.196321 Zr\n0.666431 0.333143 0.859666 N\n0.333567 0.666857 0.140334 N\n0.333392 0.666727 0.637239 Cl\n0.666606 0.333272 0.362761 Cl\n",
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"formula_full": "Zr2 N2 Cl2",
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}
]
}