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{
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"results": [
{
"id": "mp-885334",
"created_at": "2022-09-04T14:48:00.089475Z",
"structure_string": "Li4 Ti2 Mn3 V3 O16\n1.0\n2.937422 5.258880 0.000000\n-2.937422 5.258880 0.000000\n0.000000 0.510197 9.611647\nLi Ti Mn V O\n4 2 3 3 16\ndirect\n0.346136 0.346136 0.898554 Li\n0.998517 0.998517 0.991590 Li\n0.998443 0.998443 0.492203 Li\n0.665296 0.665296 0.400348 Li\n0.341164 0.341164 0.498097 Ti\n0.664630 0.664630 0.997330 Ti\n0.166962 0.166962 0.206429 Mn\n0.344111 0.840488 0.711798 Mn\n0.840488 0.344111 0.711798 Mn\n0.155972 0.652468 0.220147 V\n0.652468 0.155972 0.220147 V\n0.829772 0.829772 0.726562 V\n0.157818 0.656689 0.593442 O\n0.478334 0.478334 0.340140 O\n0.351406 0.351406 0.102665 O\n0.989067 0.989067 0.304880 O\n0.001506 0.001506 0.801882 O\n0.656689 0.157818 0.593442 O\n0.035727 0.500820 0.344228 O\n0.500820 0.035727 0.344228 O\n0.830873 0.830873 0.103315 O\n0.164480 0.164480 0.589870 O\n0.536634 0.970559 0.849660 O\n0.970559 0.536634 0.849660 O\n0.675846 0.675846 0.608900 O\n0.334072 0.817341 0.087875 O\n0.530210 0.530210 0.836559 O\n0.817341 0.334072 0.087875 O\n",
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],
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"density_atomic": 0.09429108194626606,
"volume": 296.95279152652466,
"volume_molar": 6.38675539159881,
"formula_full": "Li4 Ti2 Mn3 V3 O16",
"formula_reduced": "Li4Ti2Mn3V3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -228.53977281,
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"updated_at": "2021-11-28T01:38:26.722000Z",
"spacegroup": 8
},
{
"id": "mp-772990",
"created_at": "2022-09-04T14:48:08.241280Z",
"structure_string": "Li4 Ti2 V3 Cr3 O16\n1.0\n2.952324 5.110068 0.000000\n-2.952324 5.110068 0.000000\n0.000000 0.046471 9.548717\nLi Ti V Cr O\n4 2 3 3 16\ndirect\n0.670715 0.670715 0.106122 Li\n0.998323 0.998323 0.006129 Li\n0.997421 0.997421 0.504902 Li\n0.335813 0.335813 0.609097 Li\n0.665896 0.665896 0.503563 Ti\n0.330959 0.330959 0.002263 Ti\n0.180306 0.646859 0.282779 V\n0.825479 0.825479 0.779804 V\n0.646859 0.180306 0.282779 V\n0.340466 0.828509 0.785849 Cr\n0.828509 0.340466 0.785849 Cr\n0.168017 0.168017 0.286982 Cr\n0.335341 0.828534 0.405001 O\n0.521741 0.521741 0.659779 O\n0.675726 0.675726 0.894552 O\n0.992911 0.992911 0.693616 O\n0.994742 0.994742 0.195006 O\n0.828534 0.335341 0.405001 O\n0.523594 0.961190 0.657642 O\n0.961190 0.523594 0.657642 O\n0.166819 0.166819 0.905051 O\n0.829045 0.829045 0.404641 O\n0.043310 0.480240 0.158906 O\n0.480240 0.043310 0.158906 O\n0.334337 0.334337 0.399222 O\n0.166597 0.662077 0.904035 O\n0.484187 0.484187 0.152817 O\n0.662077 0.166597 0.904035 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
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"V",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O-Ti-V",
"density": 3.966997346894311,
"density_atomic": 0.09718345107089706,
"volume": 288.11489704737386,
"volume_molar": 6.196673089543549,
"formula_full": "Li4 Ti2 V3 Cr3 O16",
"formula_reduced": "Li4Ti2V3Cr3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -233.24328616,
"energy_per_atom": -8.330117362857143,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -211.15428616,
"band_gap": 0.6752000000000002,
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"is_magnetic": true,
"total_magnetization": 13.0003501,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:29.200000Z",
"spacegroup": 8
},
{
"id": "mp-770036",
"created_at": "2022-09-04T14:48:07.721652Z",
"structure_string": "Li4 Mn3 V2 Cr3 O16\n1.0\n5.862217 0.000000 0.000000\n-2.875948 5.135475 0.000000\n-0.009384 -0.093585 9.509043\nLi Mn V Cr O\n4 3 2 3 16\ndirect\n0.333829 0.663347 0.100968 Li\n0.002067 0.007194 0.004292 Li\n0.000758 0.004170 0.505926 Li\n0.663593 0.323910 0.605021 Li\n0.170690 0.341344 0.785027 Mn\n0.336883 0.171272 0.286687 Mn\n0.828374 0.168017 0.285462 Mn\n0.330889 0.677623 0.512664 V\n0.669696 0.347218 0.009482 V\n0.169354 0.830155 0.787390 Cr\n0.661514 0.830107 0.787082 Cr\n0.828663 0.659394 0.285752 Cr\n0.154966 0.805342 0.411698 O\n0.476381 0.955427 0.656195 O\n0.329849 0.657221 0.892690 O\n0.003761 0.010063 0.692290 O\n0.000039 0.002059 0.192454 O\n0.670594 0.840810 0.401719 O\n0.038097 0.514326 0.661655 O\n0.470266 0.511997 0.658317 O\n0.837392 0.671604 0.903752 O\n0.162135 0.325776 0.399508 O\n0.539615 0.493232 0.145029 O\n0.960623 0.468965 0.161978 O\n0.664643 0.327091 0.391294 O\n0.335381 0.175942 0.902368 O\n0.522633 0.038830 0.162352 O\n0.837017 0.177563 0.903111 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O-V",
"density": 4.097745260715174,
"density_atomic": 0.0978089755486357,
"volume": 286.27229600290565,
"volume_molar": 6.157043079349583,
"formula_full": "Li4 Mn3 V2 Cr3 O16",
"formula_reduced": "Li4Mn3V2Cr3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -225.08370998000004,
"energy_per_atom": -8.038703927857144,
"energy_above_hull": null,
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"energy_uncorrected": -199.69070998,
"band_gap": 0.6577999999999999,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.155000Z",
"spacegroup": 1
},
{
"id": "mp-1661623",
"created_at": "2022-09-04T14:48:01.635863Z",
"structure_string": "Li8 Ti6 V6 Te4 O32\n1.0\n3.118667 5.224527 0.005785\n-9.074768 5.064408 0.010334\n-0.003908 0.014110 10.280178\nLi Ti V Te O\n8 6 6 4 32\ndirect\n0.492788 0.169715 0.905680 Li\n0.992625 0.669739 0.905808 Li\n0.005693 0.997089 0.985987 Li\n0.505703 0.497015 0.986116 Li\n0.002156 0.999033 0.495168 Li\n0.502200 0.498857 0.495135 Li\n0.506179 0.832088 0.395308 Li\n0.006181 0.332155 0.395463 Li\n0.265868 0.909288 0.732204 Ti\n0.765964 0.409234 0.732295 Ti\n0.512382 0.327865 0.219779 Ti\n0.012389 0.827855 0.219781 Ti\n0.263881 0.079358 0.219342 Ti\n0.763900 0.579273 0.219366 Ti\n0.246898 0.584729 0.207713 V\n0.239795 0.415330 0.717282 V\n0.497243 0.672396 0.716939 V\n0.746882 0.084763 0.207631 V\n0.739861 0.914861 0.717448 V\n0.997906 0.172758 0.717013 V\n0.500815 0.164164 0.511575 Te\n0.000425 0.664207 0.511424 Te\n0.517124 0.828263 0.995765 Te\n0.017469 0.328256 0.995680 Te\n0.271939 0.242481 0.320118 O\n0.771962 0.742525 0.320169 O\n0.488797 0.170872 0.108593 O\n0.988806 0.670833 0.108655 O\n0.001939 0.999273 0.311063 O\n0.501949 0.499252 0.311111 O\n0.007565 0.991279 0.803958 O\n0.507714 0.491014 0.804192 O\n0.214579 0.929210 0.108539 O\n0.714604 0.429254 0.108637 O\n0.753382 0.077200 0.598430 O\n0.253339 0.577239 0.597980 O\n0.487051 0.845480 0.609720 O\n0.987051 0.345717 0.609561 O\n0.722088 0.766803 0.854597 O\n0.222293 0.266877 0.854773 O\n0.498958 0.331226 0.603973 O\n0.998885 0.831233 0.603946 O\n0.250002 0.081725 0.600852 O\n0.749869 0.581667 0.600877 O\n0.736177 0.249312 0.312169 O\n0.236160 0.749333 0.312159 O\n0.493616 0.008390 0.313579 O\n0.993568 0.508421 0.313725 O\n0.488638 0.990512 0.832463 O\n0.988750 0.490623 0.832418 O\n0.257715 0.761580 0.836707 O\n0.758255 0.261549 0.836868 O\n0.767475 0.918103 0.096056 O\n0.267666 0.418173 0.096183 O\n0.508572 0.657446 0.093896 O\n0.008607 0.157402 0.093813 O\n",
"nsites": 56,
"nelements": 5,
"elements": [
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"Ti",
"V",
"Te",
"O"
],
"chemical_system": "Li-O-Te-Ti-V",
"density": 4.2698043373422765,
"density_atomic": 0.08618523822377719,
"volume": 649.7632443110247,
"volume_molar": 6.987438781991536,
"formula_full": "Li8 Ti6 V6 Te4 O32",
"formula_reduced": "Li4Ti3V3(TeO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -431.7974247,
"energy_per_atom": -7.710668298214286,
"energy_above_hull": null,
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"energy_uncorrected": -399.6134247,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.414000Z",
"spacegroup": 1
},
{
"id": "mp-772989",
"created_at": "2022-09-04T14:39:06.226724Z",
"structure_string": "Li4 Ti2 Mn3 Sn3 O16\n1.0\n3.080236 5.346881 0.000000\n-3.080236 5.346881 0.000000\n0.000000 0.167272 9.736095\nLi Ti Mn Sn O\n4 2 3 3 16\ndirect\n0.676007 0.676007 0.896863 Li\n0.987032 0.987032 0.988488 Li\n0.992270 0.992270 0.499858 Li\n0.332482 0.332482 0.398124 Li\n0.672139 0.672139 0.499181 Ti\n0.349890 0.349890 0.982195 Ti\n0.825762 0.825762 0.219412 Mn\n0.661851 0.173889 0.711975 Mn\n0.173889 0.661851 0.711975 Mn\n0.829355 0.333941 0.211412 Sn\n0.333941 0.829355 0.211412 Sn\n0.172700 0.172700 0.715716 Sn\n0.839307 0.337057 0.591008 O\n0.514196 0.514196 0.342440 O\n0.658897 0.658897 0.095353 O\n0.001719 0.001719 0.316836 O\n0.996261 0.996261 0.801718 O\n0.337057 0.839307 0.591008 O\n0.951624 0.527952 0.339498 O\n0.527952 0.951624 0.339498 O\n0.157483 0.157483 0.091922 O\n0.820738 0.820738 0.583678 O\n0.479024 0.045985 0.848300 O\n0.045985 0.479024 0.848300 O\n0.339164 0.339164 0.604651 O\n0.666464 0.150588 0.099848 O\n0.483569 0.483569 0.866138 O\n0.150588 0.666464 0.099848 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 4.66230806954869,
"density_atomic": 0.08730894127323484,
"volume": 320.7002580912477,
"volume_molar": 6.897507485692223,
"formula_full": "Li4 Ti2 Mn3 Sn3 O16",
"formula_reduced": "Li4Ti2Mn3Sn3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -209.23338537,
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"updated_at": "2021-11-28T01:34:45.099000Z",
"spacegroup": 8
},
{
"id": "mp-776367",
"created_at": "2022-09-04T14:48:28.766625Z",
"structure_string": "Li4 V3 Ni3 W2 O16\n1.0\n2.998995 5.140570 0.000000\n-2.998995 5.140570 0.000000\n0.000000 0.029845 9.721523\nLi V Ni W O\n4 3 3 2 16\ndirect\n0.663445 0.663445 0.096720 Li\n0.001982 0.001982 0.013101 Li\n0.999352 0.999352 0.510564 Li\n0.332081 0.332081 0.595153 Li\n0.344768 0.836699 0.782782 V\n0.836699 0.344768 0.782782 V\n0.175038 0.175038 0.276204 V\n0.829151 0.829151 0.788652 Ni\n0.168115 0.659284 0.288758 Ni\n0.659284 0.168115 0.288758 Ni\n0.666291 0.666291 0.510205 W\n0.340401 0.340401 0.010534 W\n0.346326 0.830505 0.409737 O\n0.519751 0.519751 0.647199 O\n0.658650 0.658650 0.894803 O\n0.001683 0.001683 0.698938 O\n0.009387 0.009387 0.202636 O\n0.830505 0.346326 0.409737 O\n0.515684 0.959719 0.649700 O\n0.959719 0.515684 0.649700 O\n0.177708 0.177708 0.908125 O\n0.828381 0.828381 0.414083 O\n0.038023 0.468517 0.148495 O\n0.468517 0.038023 0.148495 O\n0.316665 0.316665 0.390783 O\n0.175408 0.659696 0.912856 O\n0.477121 0.477121 0.149751 O\n0.659696 0.175408 0.912856 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 5.430928674777909,
"density_atomic": 0.09341286852206418,
"volume": 299.7445688479889,
"volume_molar": 6.446799948743216,
"formula_full": "Li4 V3 Ni3 W2 O16",
"formula_reduced": "Li4V3Ni3(WO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -217.36608257,
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"updated_at": "2021-11-28T01:39:44.201000Z",
"spacegroup": 8
},
{
"id": "mp-849709",
"created_at": "2022-09-04T14:39:06.109194Z",
"structure_string": "Li4 Ti3 V2 Cu3 O16\n1.0\n2.959434 5.122263 0.000000\n-2.959434 5.122263 0.000000\n0.000000 0.173945 9.734021\nLi Ti V Cu O\n4 3 2 3 16\ndirect\n0.673364 0.673364 0.093504 Li\n0.993014 0.993014 0.016210 Li\n0.996917 0.996917 0.506354 Li\n0.335384 0.335384 0.593816 Li\n0.345439 0.846052 0.777546 Ti\n0.846052 0.345439 0.777546 Ti\n0.181532 0.181532 0.262924 Ti\n0.661664 0.661664 0.500835 V\n0.361626 0.361626 0.013817 V\n0.828733 0.828733 0.791058 Cu\n0.172633 0.662158 0.296823 Cu\n0.662158 0.172633 0.296823 Cu\n0.350388 0.826697 0.413274 O\n0.517157 0.517157 0.665821 O\n0.661941 0.661941 0.890805 O\n0.995067 0.995067 0.697223 O\n0.000383 0.000383 0.210128 O\n0.826697 0.350388 0.413274 O\n0.496017 0.962727 0.652406 O\n0.962727 0.496017 0.652406 O\n0.159953 0.159953 0.895120 O\n0.817482 0.817482 0.429864 O\n0.036548 0.470869 0.149591 O\n0.470869 0.036548 0.149591 O\n0.329270 0.329270 0.388295 O\n0.181508 0.650855 0.911891 O\n0.483953 0.483953 0.133313 O\n0.650855 0.181508 0.911891 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
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"V",
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"O"
],
"chemical_system": "Cu-Li-O-Ti-V",
"density": 4.050552138802368,
"density_atomic": 0.09487793516115617,
"volume": 295.1160346443062,
"volume_molar": 6.347251075575173,
"formula_full": "Li4 Ti3 V2 Cu3 O16",
"formula_reduced": "Li4Ti3V2Cu3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -207.58149,
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"updated_at": "2021-11-28T01:34:32.155000Z",
"spacegroup": 8
},
{
"id": "mp-770508",
"created_at": "2022-09-04T14:48:28.553399Z",
"structure_string": "Li4 Ti3 Mn3 Fe2 O16\n1.0\n5.887028 0.000000 0.000000\n-2.887610 5.190148 0.000000\n-0.016958 -0.091848 9.591379\nLi Ti Mn Fe O\n4 3 3 2 16\ndirect\n0.326477 0.667720 0.890251 Li\n0.001966 0.002381 0.995447 Li\n0.005856 0.994970 0.496719 Li\n0.667311 0.328889 0.395286 Li\n0.168715 0.339864 0.216328 Ti\n0.659257 0.832572 0.215669 Ti\n0.831904 0.171900 0.714066 Ti\n0.166973 0.829139 0.212151 Mn\n0.341003 0.168945 0.713792 Mn\n0.827071 0.660064 0.715596 Mn\n0.335836 0.669291 0.492599 Fe\n0.657975 0.338307 0.989669 Fe\n0.164624 0.323302 0.602032 O\n0.487763 0.519524 0.331785 O\n0.327797 0.668648 0.106060 O\n0.004842 0.996962 0.308770 O\n0.016676 0.020180 0.810273 O\n0.679746 0.834810 0.603532 O\n0.040811 0.502168 0.345587 O\n0.493180 0.958378 0.341046 O\n0.832035 0.164981 0.104582 O\n0.179492 0.849218 0.601551 O\n0.520889 0.039249 0.835837 O\n0.956101 0.481220 0.835082 O\n0.654616 0.309813 0.603012 O\n0.326789 0.183480 0.098358 O\n0.500945 0.467101 0.836722 O\n0.823049 0.676620 0.096037 O\n",
"nsites": 28,
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"elements": [
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"Ti",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O-Ti",
"density": 3.9882116685836952,
"density_atomic": 0.09554349755327138,
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