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{
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"structure_string": "Co4 P4 O16\n1.0\n5.737084 0.000000 0.000000\n1.158417 6.325419 0.000000\n1.763449 2.310940 8.790196\nCo P O\n4 4 16\ndirect\n0.328197 0.898685 0.805262 Co\n0.789931 0.174133 0.562041 Co\n0.210069 0.825867 0.437959 Co\n0.671803 0.101315 0.194738 Co\n0.816416 0.875816 0.894411 P\n0.668350 0.722931 0.513358 P\n0.331650 0.277069 0.486642 P\n0.183584 0.124184 0.105589 P\n0.629453 0.755828 0.862190 O\n0.070705 0.738230 0.879969 O\n0.249621 0.074548 0.951487 O\n0.842961 0.090812 0.762023 O\n0.858443 0.851230 0.539901 O\n0.417245 0.768063 0.610567 O\n0.761270 0.483759 0.543647 O\n0.393509 0.177013 0.651767 O\n0.606491 0.822987 0.348233 O\n0.238730 0.516241 0.456353 O\n0.582755 0.231937 0.389433 O\n0.141557 0.148770 0.460099 O\n0.157039 0.909188 0.237977 O\n0.750379 0.925452 0.048513 O\n0.929295 0.261770 0.120031 O\n0.370547 0.244172 0.137810 O\n",
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{
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"structure_string": "Li4 V4 Si4 O16\n1.0\n9.334967 0.013508 0.183318\n0.946411 5.547462 -0.164538\n-1.685987 -1.327854 6.023786\nLi V Si O\n4 4 4 16\ndirect\n0.137841 0.196385 0.383372 Li\n0.220602 0.698239 0.431761 Li\n0.779423 0.301890 0.568103 Li\n0.862071 0.803850 0.616667 Li\n0.206157 0.707450 0.928888 V\n0.425525 0.215161 0.165243 V\n0.574450 0.784829 0.834657 V\n0.793706 0.292550 0.071291 V\n0.095433 0.164683 0.827840 Si\n0.462418 0.322281 0.709480 Si\n0.537618 0.677701 0.290451 Si\n0.904604 0.835250 0.172085 Si\n0.146860 0.364342 0.726505 O\n0.100706 0.868673 0.676107 O\n0.075957 0.753569 0.142395 O\n0.212641 0.115766 0.059691 O\n0.446536 0.126038 0.846500 O\n0.385651 0.617140 0.777624 O\n0.387758 0.221060 0.451408 O\n0.360936 0.613405 0.217516 O\n0.639083 0.386605 0.782491 O\n0.612302 0.778917 0.548703 O\n0.614363 0.382798 0.222429 O\n0.553490 0.873950 0.153600 O\n0.787348 0.884216 0.940298 O\n0.924029 0.246355 0.857562 O\n0.899343 0.131309 0.323867 O\n0.853149 0.635588 0.273467 O\n",
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"elements": [
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],
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"formula_full": "Li4 V4 Si4 O16",
"formula_reduced": "LiVSiO4",
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"spacegroup": 2
},
{
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"created_at": "2022-09-04T14:43:01.711035Z",
"structure_string": "Sb4 O4 F4\n1.0\n3.572746 0.000000 0.000000\n0.000000 4.348989 0.000000\n0.000000 0.000000 12.576527\nSb O F\n4 4 4\ndirect\n0.250000 0.330281 0.152007 Sb\n0.750000 0.830281 0.347993 Sb\n0.250000 0.169719 0.652007 Sb\n0.750000 0.669719 0.847993 Sb\n0.750000 0.468872 0.248342 O\n0.250000 0.968872 0.251658 O\n0.750000 0.031128 0.748342 O\n0.250000 0.531128 0.751658 O\n0.750000 0.069035 0.088607 F\n0.250000 0.569035 0.411393 F\n0.750000 0.430965 0.588607 F\n0.250000 0.930965 0.911393 F\n",
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"density": 5.328280493496799,
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"formula_full": "Sb4 O4 F4",
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{
"id": "mp-756655",
"created_at": "2022-09-04T14:45:36.576600Z",
"structure_string": "Ti8 O16\n1.0\n2.988604 0.000000 0.000000\n0.000000 9.002011 0.000000\n0.000000 0.000000 10.777908\nTi O\n8 16\ndirect\n0.750000 0.449904 0.381708 Ti\n0.750000 0.949904 0.118292 Ti\n0.250000 0.550096 0.618292 Ti\n0.250000 0.050096 0.881708 Ti\n0.750000 0.409628 0.899319 Ti\n0.250000 0.090372 0.399319 Ti\n0.750000 0.909628 0.600681 Ti\n0.250000 0.590372 0.100681 Ti\n0.750000 0.612507 0.988137 O\n0.250000 0.073864 0.072238 O\n0.750000 0.701401 0.639954 O\n0.250000 0.798599 0.139954 O\n0.250000 0.387493 0.011863 O\n0.250000 0.971048 0.716552 O\n0.250000 0.298599 0.360046 O\n0.750000 0.426136 0.572238 O\n0.750000 0.112507 0.511863 O\n0.750000 0.028952 0.283448 O\n0.250000 0.471048 0.783448 O\n0.250000 0.887493 0.488137 O\n0.750000 0.528952 0.216552 O\n0.750000 0.926136 0.927762 O\n0.250000 0.573864 0.427762 O\n0.750000 0.201401 0.860046 O\n",
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"volume": 289.9628667616974,
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"formula_full": "Ti8 O16",
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"updated_at": "2021-11-28T01:37:14.013000Z",
"spacegroup": 62
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{
"id": "mp-756656",
"created_at": "2022-09-04T14:44:07.909962Z",
"structure_string": "Gd6 In2 O12\n1.0\n4.548464 -5.718492 0.000000\n4.548464 5.718492 0.000000\n0.000000 0.000000 5.679171\nGd In O\n6 2 12\ndirect\n0.090299 0.299879 0.469307 Gd\n0.299879 0.090299 0.969307 Gd\n0.600953 0.399047 0.420250 Gd\n0.399047 0.600953 0.920250 Gd\n0.700121 0.909701 0.469307 Gd\n0.909701 0.700121 0.969307 Gd\n0.810023 0.189977 0.985551 In\n0.189977 0.810023 0.485551 In\n0.322507 0.357115 0.195736 O\n0.357115 0.322507 0.695736 O\n0.566793 0.102415 0.191242 O\n0.102415 0.566793 0.691242 O\n0.972243 0.027757 0.158676 O\n0.781465 0.218535 0.630252 O\n0.218535 0.781465 0.130252 O\n0.027757 0.972243 0.658676 O\n0.897585 0.433207 0.191242 O\n0.433207 0.897585 0.691242 O\n0.677493 0.642885 0.695736 O\n0.642885 0.677493 0.195736 O\n",
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"elements": [
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{
"id": "mp-756657",
"created_at": "2022-09-04T14:48:11.325448Z",
"structure_string": "V4 Fe1 Co1 O12\n1.0\n-1.504349 1.344805 5.562539\n6.864723 -0.013183 -0.087918\n-0.744167 6.787921 0.089335\nV Fe Co O\n4 1 1 12\ndirect\n0.255875 0.385703 0.793987 V\n0.244495 0.792924 0.385810 V\n0.759584 0.208562 0.612126 V\n0.740729 0.612240 0.207359 V\n0.248807 0.913164 0.914070 Fe\n0.750231 0.087979 0.086712 Co\n0.647451 0.041556 0.804399 O\n0.852819 0.803686 0.039821 O\n0.777337 0.090491 0.381285 O\n0.722330 0.382084 0.090284 O\n0.131599 0.193723 0.962300 O\n0.366675 0.959588 0.191549 O\n0.552201 0.366736 0.650154 O\n0.948608 0.650370 0.367079 O\n0.055865 0.354273 0.629801 O\n0.444071 0.629781 0.354120 O\n0.276672 0.614603 0.913127 O\n0.224652 0.912537 0.616018 O\n",
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"formula_full": "V4 Fe1 Co1 O12",
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{
"id": "mp-756658",
"created_at": "2022-09-04T14:39:35.935124Z",
"structure_string": "Li12 V4 P4 C4 O28\n1.0\n0.265246 4.901264 6.523540\n-0.264755 -4.901363 6.523594\n8.634836 -0.231226 0.000326\nLi V P C O\n12 4 4 4 28\ndirect\n0.506481 0.781468 0.117316 Li\n0.006412 0.281513 0.117274 Li\n0.531309 0.256369 0.882682 Li\n0.031408 0.756442 0.882667 Li\n0.329187 0.118807 0.303294 Li\n0.829194 0.618782 0.303273 Li\n0.868754 0.079239 0.696763 Li\n0.368769 0.579225 0.696730 Li\n0.751268 0.979079 0.367431 Li\n0.251141 0.479197 0.367419 Li\n0.229112 0.001153 0.632601 Li\n0.729151 0.501163 0.632614 Li\n0.108514 0.871214 0.245559 V\n0.121168 0.358176 0.754139 V\n0.608128 0.370941 0.245713 V\n0.621029 0.858184 0.754398 V\n0.472013 0.760478 0.419382 P\n0.971980 0.260525 0.419333 P\n0.510524 0.221964 0.580661 P\n0.010512 0.722050 0.580615 P\n0.777759 0.012454 0.037740 C\n0.277749 0.512447 0.037702 C\n0.262429 0.027803 0.962269 C\n0.762387 0.527716 0.962298 C\n0.917909 0.892948 0.060079 O\n0.417797 0.392817 0.060087 O\n0.142923 0.167869 0.939872 O\n0.642923 0.667850 0.939948 O\n0.288756 0.973049 0.105557 O\n0.788550 0.472894 0.105553 O\n0.722863 0.038676 0.894495 O\n0.222907 0.538638 0.894442 O\n0.690599 0.102826 0.148917 O\n0.190661 0.602945 0.148839 O\n0.352784 0.940505 0.851097 O\n0.852788 0.440517 0.851128 O\n0.444712 0.603094 0.334120 O\n0.944747 0.103115 0.334061 O\n0.353213 0.194585 0.666020 O\n0.853140 0.694711 0.665917 O\n0.613806 0.811874 0.326300 O\n0.113785 0.311955 0.326279 O\n0.561856 0.363818 0.673691 O\n0.061861 0.863867 0.673697 O\n0.468476 0.262827 0.407739 O\n0.968678 0.762932 0.407642 O\n0.512882 0.718607 0.592338 O\n0.012876 0.218581 0.592285 O\n0.302693 0.908417 0.414464 O\n0.802581 0.408377 0.414453 O\n0.658425 0.052628 0.585584 O\n0.158424 0.552680 0.585524 O\n",
"nsites": 52,
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"formula_full": "Li12 V4 P4 C4 O28",
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"spacegroup": 4
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{
"id": "mp-756659",
"created_at": "2022-09-04T14:44:00.376778Z",
"structure_string": "Li12 Ni4 P4 C4 O28\n1.0\n-0.001069 -0.000180 6.345187\n8.554449 0.005325 -0.001448\n0.797421 9.739230 -0.000409\nLi Ni P C O\n12 4 4 4 28\ndirect\n0.262140 0.109485 0.387364 Li\n0.261880 0.109410 0.887261 Li\n0.761873 0.890578 0.112740 Li\n0.762072 0.890444 0.612624 Li\n0.484818 0.281060 0.122279 Li\n0.484637 0.281134 0.622462 Li\n0.985082 0.719033 0.377585 Li\n0.985163 0.719026 0.877686 Li\n0.743189 0.358666 0.389538 Li\n0.743291 0.358293 0.889589 Li\n0.243381 0.641760 0.110382 Li\n0.243307 0.641373 0.610450 Li\n0.998276 0.264420 0.627718 Ni\n0.498742 0.735271 0.372228 Ni\n0.998820 0.265115 0.128085 Ni\n0.499016 0.734807 0.871860 Ni\n0.248026 0.409346 0.362078 P\n0.247764 0.409191 0.862116 P\n0.747899 0.590813 0.137834 P\n0.748091 0.590596 0.637942 P\n0.760771 0.042722 0.354422 C\n0.760523 0.042589 0.854441 C\n0.260533 0.957408 0.145645 C\n0.260737 0.957248 0.645566 C\n0.765817 0.066340 0.481732 O\n0.764953 0.066217 0.981751 O\n0.265121 0.933846 0.018361 O\n0.265806 0.933651 0.518280 O\n0.237636 0.101574 0.184522 O\n0.237210 0.101426 0.684283 O\n0.737776 0.898528 0.315643 O\n0.737827 0.898435 0.815547 O\n0.774508 0.157347 0.259354 O\n0.774472 0.157325 0.759370 O\n0.274564 0.842702 0.240696 O\n0.274764 0.842678 0.740649 O\n0.055668 0.316976 0.425863 O\n0.055655 0.316818 0.926232 O\n0.555864 0.683388 0.073824 O\n0.555824 0.683080 0.574158 O\n0.441391 0.310992 0.411224 O\n0.441401 0.310887 0.910942 O\n0.941497 0.689103 0.088875 O\n0.941525 0.689029 0.588755 O\n0.751186 0.419475 0.097102 O\n0.751073 0.419363 0.596965 O\n0.251353 0.580569 0.403062 O\n0.251325 0.580512 0.902912 O\n0.226730 0.414063 0.201721 O\n0.225992 0.413635 0.701864 O\n0.726161 0.586302 0.298119 O\n0.726871 0.585951 0.798294 O\n",
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{
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{
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{
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"structure_string": "Al3 Cr3 Sb2 O16\n1.0\n2.908762 4.996249 0.000000\n-2.908762 4.996249 0.000000\n0.000000 0.076161 9.295929\nAl Cr Sb O\n3 3 2 16\ndirect\n0.167560 0.167560 0.797214 Al\n0.831121 0.334610 0.296004 Al\n0.334610 0.831121 0.296004 Al\n0.661714 0.166220 0.783084 Cr\n0.166220 0.661714 0.783084 Cr\n0.830176 0.830176 0.275244 Cr\n0.330203 0.330203 0.505595 Sb\n0.661289 0.661289 0.009371 Sb\n0.666597 0.170606 0.396505 O\n0.480447 0.480447 0.659668 O\n0.334687 0.334687 0.890550 O\n0.003723 0.003723 0.699618 O\n0.998428 0.998428 0.198907 O\n0.170606 0.666597 0.396505 O\n0.474585 0.044959 0.664826 O\n0.044959 0.474585 0.664826 O\n0.831765 0.831765 0.897838 O\n0.163474 0.163474 0.393937 O\n0.960351 0.525642 0.162048 O\n0.525642 0.960351 0.162048 O\n0.674501 0.674501 0.388860 O\n0.838579 0.330401 0.897580 O\n0.525564 0.525564 0.169811 O\n0.330401 0.838579 0.897580 O\n",
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{
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"structure_string": "Li2 Co3 Sn1 O8\n1.0\n5.008764 -2.919651 0.000000\n5.008764 2.919651 0.000000\n3.306874 0.000000 4.762002\nLi Co Sn O\n2 3 1 8\ndirect\n0.879610 0.879610 0.879610 Li\n0.504742 0.504742 0.504742 Li\n0.502690 0.985509 0.502690 Co\n0.985509 0.502690 0.502690 Co\n0.502690 0.502690 0.985509 Co\n0.112540 0.112540 0.112540 Sn\n0.734731 0.734731 0.734731 O\n0.752949 0.752949 0.289613 O\n0.289613 0.752949 0.752949 O\n0.752949 0.289613 0.752949 O\n0.261445 0.700705 0.261445 O\n0.700705 0.261445 0.261445 O\n0.261445 0.261445 0.700705 O\n0.258380 0.258380 0.258380 O\n",
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}