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{
"id": "jvasp-43293",
"created_at": "2022-09-04T14:36:31.859689Z",
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"structure_string": "Li5 Ti6 Fe1 O16\n1.0\n0.000000 5.889091 0.030207\n5.945022 0.000000 0.000000\n0.000000 -0.090859 -8.389446\nLi Ti Fe O\n5 6 1 16\ndirect\n0.507810 0.500000 0.999348 Li\n0.760484 0.000000 0.882129 Li\n0.990366 0.000000 0.500477 Li\n0.264703 0.500000 0.378863 Li\n0.230937 0.000000 0.120214 Li\n0.747976 0.751288 0.241087 Ti\n0.474224 0.000000 0.492716 Ti\n0.747976 0.248712 0.241087 Ti\n0.248691 0.758391 0.753500 Ti\n0.011805 0.500000 0.010092 Ti\n0.248691 0.241609 0.753500 Ti\n0.738093 0.500000 0.616106 Fe\n0.735330 0.238950 0.491031 O\n0.538749 0.500000 0.248184 O\n0.986508 0.500000 0.240405 O\n0.515706 0.000000 0.260370 O\n0.959698 0.000000 0.259549 O\n0.735330 0.761049 0.491031 O\n0.262907 0.230459 0.517837 O\n0.241586 0.272722 0.978919 O\n0.035516 0.000000 0.748199 O\n0.479038 0.000000 0.740843 O\n0.478771 0.500000 0.747398 O\n0.012538 0.500000 0.753681 O\n0.771033 0.269923 0.018340 O\n0.241586 0.727278 0.978919 O\n0.262907 0.769541 0.517837 O\n0.771033 0.730077 0.018340 O\n",
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{
"id": "jvasp-52829",
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"structure_string": "K8 Zn4 H16\n1.0\n5.776211 -0.000000 0.000000\n-0.000000 7.701555 0.000000\n0.000000 0.000000 10.175195\nK Zn H\n8 4 16\ndirect\n0.750000 0.340169 0.092854 K\n0.750000 0.840169 0.407147 K\n0.250000 0.659830 0.907147 K\n0.250000 0.159830 0.592854 K\n0.750000 0.015642 0.812853 K\n0.750000 0.515641 0.687148 K\n0.250000 0.984358 0.187148 K\n0.250000 0.484358 0.312852 K\n0.250000 0.236692 0.918685 Zn\n0.250000 0.736692 0.581316 Zn\n0.750000 0.763307 0.081316 Zn\n0.750000 0.263308 0.418685 Zn\n0.750000 0.192553 0.574406 H\n0.750000 0.692553 0.925595 H\n0.250000 0.021501 0.910167 H\n0.250000 0.521501 0.589834 H\n0.750000 0.978498 0.089834 H\n0.750000 0.478498 0.410166 H\n0.985081 0.683642 0.154146 H\n0.514919 0.683642 0.154146 H\n0.485081 0.316358 0.845855 H\n0.014919 0.816357 0.654146 H\n0.014919 0.316358 0.845855 H\n0.485081 0.816357 0.654146 H\n0.250000 0.307447 0.074405 H\n0.985081 0.183642 0.345855 H\n0.514919 0.183642 0.345855 H\n0.250000 0.807446 0.425595 H\n",
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{
"id": "jvasp-19098",
"created_at": "2022-09-04T14:36:35.417041Z",
"updated_at": "2022-09-04T14:36:35.417071Z",
"structure_string": "Tl8 S4 O16\n1.0\n5.910784 -0.000000 0.000000\n0.000000 7.817920 0.000000\n0.000000 0.000000 10.616026\nTl S O\n8 4 16\ndirect\n0.250000 0.490549 0.201680 Tl\n0.750000 0.509451 0.798320 Tl\n0.250000 0.990549 0.298320 Tl\n0.750000 0.009451 0.701680 Tl\n0.250000 0.169881 0.911903 Tl\n0.750000 0.830119 0.088097 Tl\n0.250000 0.669881 0.588097 Tl\n0.750000 0.330119 0.411903 Tl\n0.750000 0.773216 0.421229 S\n0.250000 0.226784 0.578771 S\n0.750000 0.273216 0.078771 S\n0.250000 0.726784 0.921229 S\n0.250000 0.036983 0.582706 O\n0.750000 0.963017 0.417294 O\n0.750000 0.711506 0.555029 O\n0.250000 0.288494 0.444972 O\n0.750000 0.211506 0.944972 O\n0.250000 0.788494 0.055028 O\n0.956463 0.705281 0.357349 O\n0.456463 0.794719 0.857349 O\n0.543536 0.205281 0.142651 O\n0.043536 0.794719 0.857349 O\n0.043536 0.294719 0.642651 O\n0.543536 0.705281 0.357349 O\n0.750000 0.463017 0.082706 O\n0.956463 0.205281 0.142651 O\n0.456463 0.294719 0.642651 O\n0.250000 0.536983 0.917294 O\n",
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{
"id": "jvasp-48601",
"created_at": "2022-09-04T14:36:30.761148Z",
"updated_at": "2022-09-04T14:36:30.761164Z",
"structure_string": "Na5 Mn7 O16\n1.0\n0.000000 6.097369 0.110245\n5.915929 0.000000 0.000000\n0.000000 -0.453490 -8.637609\nNa Mn O\n5 7 16\ndirect\n0.244106 0.000000 0.872439 Na\n0.222222 0.500000 0.620873 Na\n0.000000 0.000000 0.500000 Na\n0.777778 0.500000 0.379126 Na\n0.755894 0.000000 0.127561 Na\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 -0.000000 Mn\n0.270981 0.752583 0.244605 Mn\n0.270981 0.247417 0.244605 Mn\n0.729020 0.752583 0.755394 Mn\n0.729020 0.247417 0.755394 Mn\n0.500000 0.000000 0.500000 Mn\n0.081440 0.000000 0.227778 O\n0.254188 0.293523 0.014231 O\n0.254188 0.706477 0.014231 O\n0.481862 0.500000 0.222719 O\n0.059525 0.500000 0.224425 O\n0.485888 0.000000 0.273511 O\n0.285720 0.768558 0.456529 O\n0.940475 0.500000 0.775575 O\n0.714280 0.231442 0.543471 O\n0.714280 0.768558 0.543471 O\n0.918560 0.000000 0.772221 O\n0.514112 0.000000 0.726488 O\n0.745812 0.293523 0.985768 O\n0.518138 0.500000 0.777281 O\n0.285720 0.231442 0.456529 O\n0.745812 0.706477 0.985768 O\n",
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"volume": 311.2766279636911,
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"formula_full": "Na5 Mn7 O16",
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"spacegroup": 10
},
{
"id": "jvasp-47562",
"created_at": "2022-09-04T14:36:38.206285Z",
"updated_at": "2022-09-04T14:36:38.206308Z",
"structure_string": "Li4 Mn2 Cr2 P4 O16\n1.0\n0.000000 4.736750 0.005428\n6.203159 0.000000 0.000000\n0.000000 -0.290851 -10.250670\nLi Mn Cr P O\n4 2 2 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.031763 0.750000 0.283437 Mn\n0.968238 0.250000 0.716562 Mn\n0.558425 0.250000 0.214893 Cr\n0.441575 0.750000 0.785106 Cr\n0.423371 0.250000 0.910193 P\n0.906228 0.750000 0.595927 P\n0.093772 0.250000 0.404072 P\n0.576630 0.750000 0.089807 P\n0.284607 0.052338 0.839026 O\n0.284607 0.447662 0.839026 O\n0.778715 0.547284 0.662404 O\n0.778715 0.952716 0.662404 O\n0.233172 0.750000 0.603445 O\n0.215235 0.250000 0.546665 O\n0.784765 0.750000 0.453335 O\n0.252765 0.750000 0.090796 O\n0.221285 0.047284 0.337596 O\n0.221285 0.452716 0.337596 O\n0.715394 0.552338 0.160973 O\n0.715394 0.947662 0.160973 O\n0.747235 0.250000 0.909203 O\n0.307554 0.250000 0.051302 O\n0.766829 0.250000 0.396554 O\n0.692447 0.750000 0.948698 O\n",
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"formula_full": "Li4 Mn2 Cr2 P4 O16",
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{
"id": "jvasp-103766",
"created_at": "2022-09-04T14:36:31.897101Z",
"updated_at": "2022-09-04T14:36:31.897122Z",
"structure_string": "H10 C14 N2 O2\n1.0\n5.059188 -0.040573 0.381828\n0.010876 5.024006 0.349126\n0.228231 0.120739 9.762235\nH C N O\n10 14 2 2\ndirect\n0.602992 0.370538 0.020895 H\n0.032542 0.795762 0.981985 H\n0.810431 0.675623 0.758175 H\n0.927632 0.002457 0.555675 H\n0.249905 0.472215 0.680776 H\n0.423432 0.751811 0.921803 H\n0.889530 0.642712 0.214784 H\n0.174286 -0.001513 0.388679 H\n0.221819 0.361140 0.202261 H\n0.300049 0.550627 0.457896 H\n0.371483 0.295657 0.693811 C\n0.090776 0.189562 0.914543 C\n0.751847 0.030591 0.625865 C\n0.686354 0.848237 0.738719 C\n0.465995 0.890999 0.831058 C\n0.308859 0.116698 0.810205 C\n0.593440 0.254166 0.601402 C\n0.342231 0.001190 0.310427 C\n0.582685 0.211991 0.103257 C\n0.369973 0.204951 0.205050 C\n0.532335 0.799971 0.315819 C\n0.744832 0.801015 0.212913 C\n0.768468 0.006141 0.106373 C\n0.685482 0.450350 0.482956 C\n0.976718 0.986104 0.000252 N\n0.494208 0.597223 0.425261 N\n0.025208 0.427866 0.922242 O\n0.926920 0.476245 0.443395 O\n",
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{
"id": "jvasp-47636",
"created_at": "2022-09-04T14:36:35.911877Z",
"updated_at": "2022-09-04T14:36:35.911902Z",
"structure_string": "Na12 Cu4 O12\n1.0\n9.199062 0.000000 0.000000\n0.000000 9.199062 0.000000\n0.000000 0.000000 4.456699\nNa Cu O\n12 4 12\ndirect\n0.373955 0.128340 0.500000 Na\n0.628340 0.126045 0.000000 Na\n0.148502 0.148502 0.000000 Na\n0.648502 0.351498 0.500000 Na\n0.128340 0.373955 0.500000 Na\n0.873955 0.371660 0.000000 Na\n0.126045 0.628340 0.000000 Na\n0.871660 0.626045 0.500000 Na\n0.351498 0.648502 0.500000 Na\n0.851498 0.851498 0.000000 Na\n0.371660 0.873955 0.000000 Na\n0.626045 0.871660 0.500000 Na\n0.110537 0.889462 0.500000 Cu\n0.610537 0.610537 0.000000 Cu\n0.389462 0.389462 0.000000 Cu\n0.889462 0.110537 0.500000 Cu\n0.095439 0.095439 0.500000 O\n0.688883 0.106924 0.500000 O\n0.393076 0.188883 0.000000 O\n0.893075 0.311117 0.500000 O\n0.188883 0.393076 0.000000 O\n0.595438 0.404561 0.000000 O\n0.404561 0.595438 0.000000 O\n0.811117 0.606924 0.000000 O\n0.106924 0.688883 0.500000 O\n0.606924 0.811117 0.000000 O\n0.311117 0.893075 0.500000 O\n0.904561 0.904561 0.500000 O\n",
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{
"id": "jvasp-42171",
"created_at": "2022-09-04T14:36:39.397533Z",
"updated_at": "2022-09-04T14:36:39.397548Z",
"structure_string": "Li4 Mn4 Si4 O16\n1.0\n4.882162 0.000000 0.000000\n0.000000 6.298709 0.000000\n0.000000 0.000000 8.986213\nLi Mn Si O\n4 4 4 16\ndirect\n0.465512 0.250000 0.835863 Li\n0.034488 0.250000 0.335863 Li\n0.965511 0.750000 0.664137 Li\n0.534488 0.750000 0.164137 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.034352 0.750000 0.319852 Si\n0.465648 0.750000 0.819852 Si\n0.534351 0.250000 0.180148 Si\n0.965648 0.250000 0.680147 Si\n0.103916 0.750000 0.134724 O\n0.709609 0.750000 0.365972 O\n0.396084 0.750000 0.634724 O\n0.790391 0.750000 0.865972 O\n0.185979 0.534889 0.381992 O\n0.314021 0.534889 0.881992 O\n0.685978 0.465112 0.118008 O\n0.685978 0.034889 0.118008 O\n0.603916 0.250000 0.365276 O\n0.209609 0.250000 0.134027 O\n0.290391 0.250000 0.634027 O\n0.896083 0.250000 0.865275 O\n0.314021 0.965112 0.881992 O\n0.814021 0.034889 0.618008 O\n0.814021 0.465112 0.618008 O\n0.185979 0.965112 0.381992 O\n",
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"formula_full": "Li4 Mn4 Si4 O16",
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},
{
"id": "jvasp-49631",
"created_at": "2022-09-04T14:36:42.647820Z",
"updated_at": "2022-09-04T14:36:42.647846Z",
"structure_string": "Mg4 Sb4 F20\n1.0\n0.000000 5.607307 0.028622\n10.070110 0.000000 0.000000\n0.000000 -4.020165 -6.900382\nMg Sb F\n4 4 20\ndirect\n0.470083 0.026358 0.189150 Mg\n0.529917 0.526358 0.310850 Mg\n0.529916 0.973642 0.810850 Mg\n0.470083 0.473642 0.689150 Mg\n0.052122 0.777933 0.327783 Sb\n0.947878 0.277933 0.172217 Sb\n0.947878 0.222067 0.672217 Sb\n0.052122 0.722067 0.827783 Sb\n0.195575 0.082459 0.651759 F\n0.161800 0.155006 0.054575 F\n0.838200 0.655006 0.445425 F\n0.691579 0.176565 0.385007 F\n0.161799 0.344994 0.554575 F\n0.308422 0.676565 0.114993 F\n0.804424 0.582459 0.848240 F\n0.838200 0.844994 0.945425 F\n0.804425 0.917541 0.348241 F\n0.644753 0.100498 0.037253 F\n0.355246 0.899502 0.962747 F\n0.644753 0.399502 0.537253 F\n0.691578 0.323435 0.885007 F\n0.355247 0.600498 0.462747 F\n0.282443 0.560588 0.811991 F\n0.717556 0.060588 0.688009 F\n0.717557 0.439412 0.188009 F\n0.282443 0.939412 0.311991 F\n0.195576 0.417541 0.151760 F\n0.308421 0.823435 0.614993 F\n",
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{
"id": "jvasp-99191",
"created_at": "2022-09-04T14:36:35.661021Z",
"updated_at": "2022-09-04T14:36:35.661048Z",
"structure_string": "K4 P4 Pb4 S16\n1.0\n6.613306 0.000000 0.000000\n0.000000 6.643420 0.000000\n0.000000 0.000000 16.562063\nK P Pb S\n4 4 4 16\ndirect\n0.976434 0.250000 0.788767 K\n0.523567 0.250000 0.288767 K\n0.023567 0.750000 0.211233 K\n0.476434 0.750000 0.711232 K\n0.721967 0.750000 0.402617 P\n0.778034 0.750000 0.902617 P\n0.221967 0.250000 0.097383 P\n0.278033 0.250000 0.597383 P\n0.718410 0.250000 0.023527 Pb\n0.281591 0.750000 0.976473 Pb\n0.781591 0.250000 0.523527 Pb\n0.218410 0.750000 0.476473 Pb\n0.398798 0.002528 0.121800 S\n0.527660 0.250000 0.670697 S\n0.972341 0.250000 0.170697 S\n0.852145 0.750000 0.024336 S\n0.601203 0.502528 0.878200 S\n0.647856 0.750000 0.524336 S\n0.898798 0.502528 0.378200 S\n0.472340 0.750000 0.329303 S\n0.601203 0.997472 0.878200 S\n0.398798 0.497472 0.121800 S\n0.101202 0.497472 0.621800 S\n0.352145 0.250000 0.475664 S\n0.898798 0.997472 0.378200 S\n0.147855 0.250000 0.975664 S\n0.101202 0.002528 0.621800 S\n0.027660 0.750000 0.829302 S\n",
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{
"id": "jvasp-52488",
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