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{
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"results": [
{
"id": "mp-774845",
"created_at": "2022-09-04T14:42:17.190982Z",
"structure_string": "Li4 Ti2 Co3 Sn3 O16\n1.0\n6.103190 -0.007432 0.008376\n-3.058006 5.294519 0.000483\n0.014192 0.008484 9.668379\nLi Ti Co Sn O\n4 2 3 3 16\ndirect\n0.348114 0.674031 0.891879 Li\n0.965309 0.982777 0.988018 Li\n0.979798 0.989725 0.497451 Li\n0.665978 0.333052 0.400827 Li\n0.354948 0.677799 0.497831 Ti\n0.683778 0.341952 0.991874 Ti\n0.657955 0.828981 0.216422 Co\n0.835071 0.656196 0.718286 Co\n0.835042 0.178904 0.718048 Co\n0.172548 0.830531 0.214708 Sn\n0.172637 0.342073 0.214743 Sn\n0.342936 0.171505 0.711200 Sn\n0.166214 0.829371 0.594061 O\n0.026692 0.513242 0.341919 O\n0.336438 0.668364 0.097342 O\n0.996711 0.998244 0.309894 O\n0.989184 0.994265 0.801230 O\n0.165600 0.336410 0.594151 O\n0.472733 0.956560 0.352965 O\n0.473081 0.516326 0.352812 O\n0.332251 0.166178 0.090904 O\n0.654541 0.827508 0.597124 O\n0.528928 0.482576 0.845962 O\n0.529279 0.046361 0.845740 O\n0.682581 0.341792 0.605579 O\n0.837048 0.656765 0.087931 O\n0.957733 0.478664 0.840827 O\n0.836872 0.180149 0.088109 O\n",
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"formula_full": "Li4 Ti2 Co3 Sn3 O16",
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"updated_at": "2021-11-28T01:35:42.892000Z",
"spacegroup": 8
},
{
"id": "mp-777668",
"created_at": "2022-09-04T14:47:23.085300Z",
"structure_string": "Li4 Ti3 Co3 Sn2 O16\n1.0\n2.965394 5.041263 0.000000\n-2.965394 5.041263 0.000000\n0.000000 0.018359 9.752738\nLi Ti Co Sn O\n4 3 3 2 16\ndirect\n0.668696 0.668696 0.109004 Li\n0.991062 0.991062 0.007303 Li\n0.996011 0.996011 0.507044 Li\n0.333439 0.333439 0.598810 Li\n0.169250 0.169250 0.285059 Ti\n0.341172 0.833044 0.784388 Ti\n0.833044 0.341172 0.784388 Ti\n0.825508 0.825508 0.787958 Co\n0.169278 0.658498 0.285948 Co\n0.658498 0.169278 0.285948 Co\n0.667334 0.667334 0.503835 Sn\n0.341612 0.341612 0.013825 Sn\n0.317666 0.838690 0.396215 O\n0.514582 0.514582 0.665774 O\n0.659874 0.659874 0.895877 O\n0.996892 0.996892 0.695111 O\n0.996683 0.996683 0.193409 O\n0.838690 0.317666 0.396215 O\n0.495849 0.967104 0.652247 O\n0.967104 0.495849 0.652247 O\n0.166189 0.166189 0.897569 O\n0.842102 0.842102 0.394262 O\n0.035712 0.482864 0.164643 O\n0.482864 0.035712 0.164643 O\n0.333908 0.333908 0.390435 O\n0.177068 0.676362 0.902010 O\n0.484211 0.484211 0.174996 O\n0.676362 0.177067 0.902010 O\n",
"nsites": 28,
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"elements": [
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"O"
],
"chemical_system": "Co-Li-O-Sn-Ti",
"density": 4.792516348079811,
"density_atomic": 0.09602398358785874,
"volume": 291.5938180629731,
"volume_molar": 6.271496489718053,
"formula_full": "Li4 Ti3 Co3 Sn2 O16",
"formula_reduced": "Li4Ti3Co3(SnO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -206.66224052,
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"updated_at": "2021-11-28T01:38:04.390000Z",
"spacegroup": 8
},
{
"id": "mp-1663956",
"created_at": "2022-09-04T14:43:52.274095Z",
"structure_string": "Li8 Ti4 Co6 Sn6 O32\n1.0\n6.025649 -0.018595 0.040896\n-2.931012 -5.204274 9.598201\n0.032472 -10.643158 -0.116666\nLi Ti Co Sn O\n8 4 6 6 32\ndirect\n0.960566 0.890873 0.715715 Li\n0.461586 0.891758 0.214622 Li\n0.467726 0.989089 0.509795 Li\n0.964334 0.988807 0.011459 Li\n0.232212 0.498102 0.758316 Li\n0.732809 0.498552 0.256362 Li\n0.200864 0.402066 0.132912 Li\n0.700046 0.401841 0.633742 Li\n0.764910 0.493852 0.913763 Ti\n0.260441 0.494285 0.414722 Ti\n0.513411 0.989468 0.824997 Ti\n0.023181 0.987880 0.324960 Ti\n0.851425 0.212989 0.978303 Co\n0.369877 0.718197 0.813238 Co\n0.603846 0.712555 0.054298 Co\n0.352968 0.216931 0.477788 Co\n0.859214 0.716389 0.313022 Co\n0.106701 0.714213 0.552452 Co\n0.112659 0.713989 0.058677 Sn\n0.613537 0.712224 0.560533 Sn\n0.363681 0.214838 0.976578 Sn\n0.864148 0.213213 0.476607 Sn\n0.612126 0.215025 0.221378 Sn\n0.105241 0.213942 0.723255 Sn\n0.439682 0.341634 0.072937 O\n0.936788 0.341027 0.572580 O\n0.561334 0.100190 0.111772 O\n0.053942 0.097426 0.615852 O\n0.142601 0.310412 0.848798 O\n0.652319 0.311947 0.345677 O\n0.383634 0.802327 0.600184 O\n0.880189 0.802034 0.100354 O\n0.791811 0.088555 0.373024 O\n0.292260 0.090097 0.872521 O\n0.042914 0.594660 0.802731 O\n0.537617 0.591902 0.302369 O\n0.321702 0.607610 0.027685 O\n0.825391 0.607876 0.527307 O\n0.639659 0.847653 0.824243 O\n0.147212 0.850180 0.325748 O\n0.547589 0.595371 0.787229 O\n0.043646 0.598057 0.287717 O\n0.785256 0.597865 0.039033 O\n0.285409 0.597576 0.539437 O\n0.671417 0.353311 0.845320 O\n0.171342 0.354585 0.345308 O\n0.892464 0.354409 0.067459 O\n0.388707 0.354127 0.569936 O\n0.206829 0.847288 0.839283 O\n0.709022 0.842476 0.337895 O\n0.439371 0.836492 0.058856 O\n0.939138 0.837274 0.557495 O\n0.049520 0.090691 0.123056 O\n0.549701 0.090810 0.624299 O\n0.292917 0.090599 0.362910 O\n0.788649 0.088137 0.865359 O\n",
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"elements": [
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"O"
],
"chemical_system": "Co-Li-O-Sn-Ti",
"density": 4.88355475792009,
"density_atomic": 0.09025082038499298,
"volume": 620.4929745914171,
"volume_molar": 6.672671488536817,
"formula_full": "Li8 Ti4 Co6 Sn6 O32",
"formula_reduced": "Li4Ti2Co3Sn3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -395.30162154,
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"updated_at": "2021-11-28T01:36:22.662000Z",
"spacegroup": 1
},
{
"id": "mp-753426",
"created_at": "2022-09-04T14:42:16.977183Z",
"structure_string": "Li4 Ti3 Co3 Te2 O16\n1.0\n2.995702 5.199831 0.000000\n-2.995702 5.199831 0.000000\n0.000000 0.017298 10.114108\nLi Ti Co Te O\n4 3 3 2 16\ndirect\n0.661839 0.661839 0.910108 Li\n0.996669 0.996669 0.982410 Li\n0.006615 0.006615 0.491768 Li\n0.332505 0.332505 0.401393 Li\n0.831808 0.351481 0.218901 Ti\n0.351481 0.831808 0.218901 Ti\n0.174085 0.174085 0.724939 Ti\n0.826044 0.826044 0.201731 Co\n0.656244 0.171084 0.720579 Co\n0.171084 0.656244 0.720579 Co\n0.675016 0.675016 0.510598 Te\n0.334140 0.334140 0.986985 Te\n0.846698 0.345147 0.612131 O\n0.510339 0.510339 0.316108 O\n0.650046 0.650046 0.103727 O\n0.003482 0.003482 0.294715 O\n0.006371 0.006371 0.800639 O\n0.345147 0.846698 0.612131 O\n0.981570 0.487524 0.321253 O\n0.487524 0.981570 0.321253 O\n0.166319 0.166319 0.088429 O\n0.842758 0.842758 0.594023 O\n0.466408 0.036918 0.858355 O\n0.036918 0.466408 0.858355 O\n0.321742 0.321742 0.611221 O\n0.659999 0.164039 0.084274 O\n0.476839 0.476839 0.857814 O\n0.164039 0.659999 0.084274 O\n",
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"elements": [
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],
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"density": 4.528728418300431,
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"volume": 315.0978360511818,
"volume_molar": 6.7770125781129265,
"formula_full": "Li4 Ti3 Co3 Te2 O16",
"formula_reduced": "Li4Ti3Co3(TeO8)2",
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"energy": -202.47517429,
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"updated_at": "2021-11-28T01:35:47.874000Z",
"spacegroup": 8
},
{
"id": "mp-779751",
"created_at": "2022-09-04T14:44:49.910214Z",
"structure_string": "Li4 Ti3 Co3 W2 O16\n1.0\n5.976111 -0.007169 -0.043362\n-2.994223 5.189506 0.000611\n-0.069418 -0.038795 9.827261\nLi Ti Co W O\n4 3 3 2 16\ndirect\n0.328645 0.664169 0.904891 Li\n0.988135 0.994011 0.983356 Li\n0.008343 0.004733 0.491603 Li\n0.667970 0.333477 0.407285 Li\n0.180644 0.840301 0.215642 Ti\n0.182903 0.341247 0.216282 Ti\n0.359366 0.178676 0.732566 Ti\n0.642619 0.820883 0.210938 Co\n0.832980 0.655754 0.711621 Co\n0.833632 0.178144 0.711603 Co\n0.340608 0.670651 0.490333 W\n0.689876 0.344444 0.989582 W\n0.182209 0.828346 0.586215 O\n0.043706 0.521947 0.340047 O\n0.295120 0.647383 0.105751 O\n0.007177 0.004073 0.302396 O\n0.014234 0.007155 0.793351 O\n0.181875 0.354499 0.586038 O\n0.466869 0.959614 0.350017 O\n0.467548 0.507366 0.350148 O\n0.339974 0.170191 0.106742 O\n0.661824 0.830841 0.579546 O\n0.503008 0.467045 0.852461 O\n0.503631 0.034602 0.851673 O\n0.637920 0.319205 0.608266 O\n0.836821 0.668783 0.089738 O\n0.966632 0.483830 0.850442 O\n0.835731 0.168928 0.089309 O\n",
"nsites": 28,
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],
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"density": 5.299006078074124,
"density_atomic": 0.09194133858393692,
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"formula_full": "Li4 Ti3 Co3 W2 O16",
"formula_reduced": "Li4Ti3Co3(WO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -225.54675113,
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"spacegroup": 8
},
{
"id": "mp-756278",
"created_at": "2022-09-04T14:43:40.735157Z",
"structure_string": "Li4 Ti3 Cr3 Co2 O16\n1.0\n5.814109 -0.023779 -0.006411\n-2.927656 5.070242 -0.000438\n-0.009774 -0.006499 9.396076\nLi Ti Cr Co O\n4 3 3 2 16\ndirect\n0.336662 0.668239 0.892904 Li\n0.989932 0.994903 0.994724 Li\n0.999859 0.999832 0.498301 Li\n0.666000 0.333111 0.395591 Li\n0.166969 0.830699 0.211673 Ti\n0.166950 0.336373 0.211767 Ti\n0.340474 0.170046 0.715869 Ti\n0.653093 0.826594 0.213064 Cr\n0.829951 0.659499 0.708840 Cr\n0.830076 0.170472 0.708588 Cr\n0.333868 0.667092 0.484060 Co\n0.672302 0.336073 0.979874 Co\n0.170488 0.832459 0.602612 O\n0.045229 0.522717 0.343237 O\n0.325134 0.662525 0.099793 O\n0.996963 0.998537 0.310885 O\n0.998580 0.999355 0.808097 O\n0.170315 0.338296 0.602721 O\n0.477299 0.954589 0.344249 O\n0.477276 0.522858 0.344287 O\n0.338257 0.169071 0.102871 O\n0.667387 0.833906 0.605389 O\n0.527743 0.480660 0.844054 O\n0.527864 0.046969 0.843924 O\n0.663494 0.331743 0.599858 O\n0.836593 0.665063 0.101028 O\n0.954663 0.477199 0.838544 O\n0.836581 0.171418 0.101032 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 4.21372728681426,
"density_atomic": 0.10132747061841256,
"volume": 276.33177685293987,
"volume_molar": 5.94324591667612,
"formula_full": "Li4 Ti3 Cr3 Co2 O16",
"formula_reduced": "Li4Ti3Cr3(CoO8)2",
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"energy": -222.52820435,
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"updated_at": "2021-11-28T01:36:13.464000Z",
"spacegroup": 8
},
{
"id": "mp-770043",
"created_at": "2022-09-04T14:45:52.872972Z",
"structure_string": "Li4 Ti2 Cr3 Co3 O16\n1.0\n5.750110 0.000000 0.000000\n2.859018 5.022032 0.000000\n0.158188 0.075851 9.380799\nLi Ti Cr Co O\n4 2 3 3 16\ndirect\n0.665530 0.666051 0.889601 Li\n0.997797 0.994222 0.993431 Li\n0.998842 0.997772 0.496752 Li\n0.330200 0.334065 0.394927 Li\n0.674451 0.667884 0.499420 Ti\n0.338710 0.335690 0.997441 Ti\n0.348567 0.820036 0.222179 Cr\n0.829573 0.342047 0.213125 Cr\n0.173673 0.172915 0.723197 Cr\n0.828814 0.829959 0.213220 Co\n0.171282 0.657884 0.713017 Co\n0.657889 0.171131 0.713027 Co\n0.332681 0.834765 0.598202 O\n0.508172 0.526756 0.343973 O\n0.657985 0.681675 0.103821 O\n0.006391 0.988251 0.304850 O\n0.999649 0.999369 0.801751 O\n0.834556 0.332317 0.597611 O\n0.522324 0.961515 0.339378 O\n0.958105 0.529438 0.339764 O\n0.170092 0.162001 0.094389 O\n0.832783 0.833839 0.600954 O\n0.039291 0.480164 0.839424 O\n0.480288 0.039591 0.839381 O\n0.332654 0.333142 0.608400 O\n0.166302 0.665668 0.098099 O\n0.477983 0.477753 0.832741 O\n0.665117 0.164400 0.095763 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 4.366184899419773,
"density_atomic": 0.10336239702438065,
"volume": 270.89155056452,
"volume_molar": 5.826239457836418,
"formula_full": "Li4 Ti2 Cr3 Co3 O16",
"formula_reduced": "Li4Ti2Cr3Co3O16",
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"energy": -214.55906117,
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"updated_at": "2021-11-28T01:37:09.821000Z",
"spacegroup": 1
},
{
"id": "mp-769725",
"created_at": "2022-09-04T14:44:55.534795Z",
"structure_string": "Li4 Ti3 Cr3 Co2 O16\n1.0\n-5.902373 0.000000 0.000000\n2.935099 5.131919 0.000000\n-0.004922 -0.093334 -9.581524\nLi Ti Cr Co O\n4 3 3 2 16\ndirect\n0.333263 0.663781 0.892870 Li\n0.991056 0.995450 0.994510 Li\n0.001405 0.999522 0.497460 Li\n0.664536 0.332967 0.395317 Li\n0.171088 0.834908 0.212718 Ti\n0.168573 0.339692 0.215100 Ti\n0.348744 0.168086 0.719712 Ti\n0.657082 0.829019 0.214115 Cr\n0.830537 0.659228 0.713779 Cr\n0.839645 0.171247 0.708447 Cr\n0.329288 0.675381 0.488593 Co\n0.678382 0.336788 0.988295 Co\n0.173008 0.838429 0.598498 O\n0.034552 0.519198 0.334635 O\n0.322632 0.659024 0.102954 O\n0.000448 0.003214 0.310982 O\n0.007240 0.004240 0.808895 O\n0.159065 0.326966 0.605325 O\n0.472724 0.963161 0.337307 O\n0.470056 0.517246 0.342856 O\n0.326934 0.163596 0.104166 O\n0.676754 0.849365 0.605776 O\n0.517924 0.473101 0.842836 O\n0.522623 0.036151 0.835202 O\n0.658968 0.326887 0.602941 O\n0.843847 0.672868 0.101171 O\n0.960183 0.469166 0.833144 O\n0.839444 0.171621 0.100234 O\n",
"nsites": 28,
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"elements": [
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],
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