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{
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{
"id": "mp-756266",
"created_at": "2022-09-04T14:45:22.998868Z",
"structure_string": "Li8 Cr6 Ga2 O16\n1.0\n2.954728 -5.117755 -0.000230\n4.445234 5.978514 4.878733\n-4.442178 0.847349 4.884277\nLi Cr Ga O\n8 6 2 16\ndirect\n0.000001 0.499900 0.500102 Li\n0.000001 0.999901 0.000103 Li\n0.499997 0.500099 0.499899 Li\n0.499995 0.000100 0.999900 Li\n0.249996 0.250000 0.749997 Li\n0.250000 0.750000 0.250000 Li\n0.749995 0.250000 0.749996 Li\n0.749996 0.750000 0.250000 Li\n0.251262 0.999998 0.500006 Cr\n0.000043 0.250773 0.249337 Cr\n0.999913 0.749231 0.750657 Cr\n0.248735 0.500005 0.999999 Cr\n0.500080 0.750759 0.749346 Cr\n0.499964 0.249237 0.250652 Cr\n0.749291 0.499993 0.999990 Ga\n0.750707 0.000007 0.500006 Ga\n0.636819 0.258812 0.015310 O\n0.637257 0.758799 0.515319 O\n0.862748 0.741190 0.984695 O\n0.863186 0.241199 0.484678 O\n0.137878 0.258026 0.015905 O\n0.136012 0.758013 0.515931 O\n0.363989 0.741977 0.984083 O\n0.362121 0.241978 0.484087 O\n0.387746 0.508878 0.767097 O\n0.388526 0.007272 0.266219 O\n0.111478 0.492739 0.233775 O\n0.112249 0.991111 0.732908 O\n0.611772 0.491116 0.232907 O\n0.615035 0.992721 0.733784 O\n0.884963 0.507270 0.766217 O\n0.888242 0.008899 0.267095 O\n",
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],
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"formula_full": "Li8 Cr6 Ga2 O16",
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"updated_at": "2021-11-28T01:37:02.610000Z",
"spacegroup": 12
},
{
"id": "mp-1181862",
"created_at": "2022-09-04T14:45:23.965933Z",
"structure_string": "Cd2 S2\n1.0\n3.898104 0.000000 0.000000\n0.000000 3.898436 0.000000\n0.000000 0.000000 5.511492\nCd S\n2 2\ndirect\n0.243026 0.500000 0.500000 Cd\n0.756974 0.000000 0.000000 Cd\n0.255163 0.500000 0.000000 S\n0.744837 0.000000 0.500000 S\n",
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"elements": [
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"density": 5.728775327025155,
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"volume": 83.75543759042172,
"volume_molar": 12.60967586462287,
"formula_full": "Cd2 S2",
"formula_reduced": "CdS",
"formula_anonymous": "AB",
"energy": -13.11732521,
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"band_gap": 0.2766000000000002,
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"total_magnetization": 3.2e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.718000Z",
"spacegroup": 59
},
{
"id": "mp-6574",
"created_at": "2022-09-04T14:45:18.067505Z",
"structure_string": "Er2 C1 N2 O2\n1.0\n1.845562 -3.196607 0.000000\n1.845562 3.196607 0.000000\n0.000000 0.000000 8.160044\nEr C N O\n2 1 2 2\ndirect\n0.666667 0.333333 0.823696 Er\n0.333333 0.666667 0.176304 Er\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.651430 N\n0.000000 0.000000 0.348570 N\n0.333333 0.666667 0.897251 O\n0.666667 0.333333 0.102749 O\n",
"nsites": 7,
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"elements": [
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],
"chemical_system": "C-Er-N-O",
"density": 7.011532636544922,
"density_atomic": 0.07270389165429485,
"volume": 96.28095333995078,
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"formula_full": "Er2 C1 N2 O2",
"formula_reduced": "Er2C(NO)2",
"formula_anonymous": "AB2C2D2",
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"updated_at": "2021-11-28T01:37:04.106000Z",
"spacegroup": 164
},
{
"id": "mp-1311067",
"created_at": "2022-09-04T14:40:42.992735Z",
"structure_string": "Li10 Ti4 Mn6 O20\n1.0\n5.237583 -0.154489 -0.050971\n1.871901 7.226231 7.490988\n-1.543520 -3.003571 7.123717\nLi Ti Mn O\n10 4 6 20\ndirect\n0.771577 0.446786 0.952018 Li\n0.271548 0.946802 0.451990 Li\n0.743781 0.647752 0.135523 Li\n0.243770 0.147787 0.635519 Li\n0.756282 0.747881 0.757545 Li\n0.256270 0.247894 0.257549 Li\n0.230696 0.552359 0.051256 Li\n0.730686 0.052373 0.551231 Li\n0.254687 0.352595 0.869492 Li\n0.754665 0.852627 0.369486 Li\n0.740220 0.358863 0.328816 Ti\n0.240208 0.858872 0.828797 Ti\n0.260070 0.641647 0.673518 Ti\n0.760054 0.141642 0.173492 Ti\n0.247376 0.750321 0.250353 Mn\n0.742881 0.945574 0.952744 Mn\n0.755225 0.555292 0.549569 Mn\n0.747365 0.250332 0.750346 Mn\n0.242826 0.445679 0.452745 Mn\n0.255227 0.055288 0.049579 Mn\n0.517965 0.533513 0.298595 O\n0.017935 0.033497 0.798596 O\n0.471669 0.664049 0.878392 O\n0.971644 0.164047 0.378393 O\n0.471663 0.842303 0.092250 O\n0.971654 0.342310 0.592258 O\n0.969681 0.247502 0.985587 O\n0.469703 0.747493 0.485594 O\n0.981114 0.443660 0.209163 O\n0.481130 0.943654 0.709155 O\n0.018622 0.556209 0.793413 O\n0.518632 0.056206 0.293429 O\n0.026273 0.752289 0.015109 O\n0.526260 0.252312 0.515101 O\n0.524690 0.157833 0.908963 O\n0.024672 0.657856 0.408958 O\n0.528385 0.335429 0.124190 O\n0.028377 0.835426 0.624205 O\n0.480564 0.466466 0.703026 O\n0.980518 0.966452 0.203017 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
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"Mn",
"O"
],
"chemical_system": "Li-Mn-O-Ti",
"density": 3.8665150082440634,
"density_atomic": 0.1022947574984519,
"volume": 391.02688131994785,
"volume_molar": 5.887047300631352,
"formula_full": "Li10 Ti4 Mn6 O20",
"formula_reduced": "Li5Ti2Mn3O10",
"formula_anonymous": "A2B3C5D10",
"energy": -308.52250961,
"energy_per_atom": -7.71306274025,
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"updated_at": "2021-11-28T01:35:05.613000Z",
"spacegroup": 2
},
{
"id": "mp-3756",
"created_at": "2022-09-04T14:41:24.818644Z",
"structure_string": "Sm2 Ta2 O8\n1.0\n5.641827 3.576983 0.000000\n-5.641827 3.576983 0.000000\n0.000000 3.329522 3.926673\nSm Ta O\n2 2 8\ndirect\n0.631480 0.368520 0.250000 Sm\n0.368520 0.631480 0.750000 Sm\n0.100198 0.899802 0.250000 Ta\n0.899802 0.100198 0.750000 Ta\n0.271729 0.208191 0.795290 O\n0.791809 0.728271 0.704710 O\n0.728271 0.791809 0.204710 O\n0.208191 0.271729 0.295290 O\n0.054448 0.640459 0.158876 O\n0.359541 0.945552 0.341124 O\n0.945552 0.359541 0.841124 O\n0.640459 0.054448 0.658876 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sm",
"Ta",
"O"
],
"chemical_system": "O-Sm-Ta",
"density": 8.28362738386232,
"density_atomic": 0.07571638540338275,
"volume": 158.48617094000738,
"volume_molar": 7.95355024928455,
"formula_full": "Sm2 Ta2 O8",
"formula_reduced": "SmTaO4",
"formula_anonymous": "ABC4",
"energy": -117.09389757,
"energy_per_atom": -9.7578247975,
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"band_gap": 4.053599999999999,
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"updated_at": "2021-11-28T01:35:15.496000Z",
"spacegroup": 15
},
{
"id": "mp-753283",
"created_at": "2022-09-04T14:41:35.807665Z",
"structure_string": "Li12 Ni2 O2 F12\n1.0\n-0.000021 -2.052994 -2.052999\n14.450865 -0.000013 -2.052831\n0.000049 -4.105982 4.105990\nLi Ni O F\n12 2 2 12\ndirect\n0.427326 0.145342 0.286337 Li\n0.427327 0.145342 0.786338 Li\n0.572671 0.854657 0.713665 Li\n0.572672 0.854657 0.213664 Li\n0.855205 0.289569 0.572396 Li\n0.855205 0.289570 0.072397 Li\n0.144793 0.710429 0.427605 Li\n0.144792 0.710429 0.927604 Li\n0.285340 0.429319 0.357330 Li\n0.285342 0.429319 0.857328 Li\n0.714656 0.570680 0.642672 Li\n0.714657 0.570680 0.142673 Li\n0.000021 0.000003 0.499989 Ni\n0.000003 0.000010 0.999990 Ni\n0.499990 0.000001 0.249999 O\n0.500007 0.999999 0.750003 O\n0.925112 0.149775 0.537445 F\n0.925103 0.149775 0.037440 F\n0.074886 0.850224 0.462557 F\n0.074898 0.850224 0.962561 F\n0.355640 0.288743 0.322180 F\n0.355640 0.288743 0.822180 F\n0.644357 0.711256 0.677822 F\n0.644359 0.711256 0.177822 F\n0.785247 0.429558 0.607376 F\n0.785249 0.429559 0.107376 F\n0.214751 0.570440 0.392625 F\n0.214750 0.570441 0.892625 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Ni",
"O",
"F"
],
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"density": 3.1397706980978297,
"density_atomic": 0.11492852551832895,
"volume": 243.62968091446126,
"volume_molar": 5.239900827788469,
"formula_full": "Li12 Ni2 O2 F12",
"formula_reduced": "Li6NiOF6",
"formula_anonymous": "ABC6D6",
"energy": -147.4010228,
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"updated_at": "2021-11-28T01:35:29.895000Z",
"spacegroup": 139
},
{
"id": "mp-19340",
"created_at": "2022-09-04T14:41:35.233476Z",
"structure_string": "Li2 V2 O4\n1.0\n1.485516 2.573007 0.000010\n1.524559 -0.880192 4.923919\n4.489418 -2.591984 0.034367\nLi V O\n2 2 4\ndirect\n0.000000 0.000000 0.999999 Li\n0.500000 0.000000 0.499999 Li\n0.499999 0.499999 0.000003 V\n0.000002 0.499999 0.500002 V\n0.499993 0.269742 0.740976 O\n0.000005 0.269688 0.240972 O\n0.500007 0.730259 0.259023 O\n0.999993 0.730313 0.759026 O\n",
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],
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"density_atomic": 0.10574015598437671,
"volume": 75.65716094822116,
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"formula_full": "Li2 V2 O4",
"formula_reduced": "LiVO2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:30.408000Z",
"spacegroup": 166
},
{
"id": "mp-556422",
"created_at": "2022-09-04T14:40:19.713937Z",
"structure_string": "Nb4 Cl12 O4\n1.0\n11.501135 0.000000 0.000000\n0.000000 11.501135 0.000000\n0.000000 0.000000 4.001072\nNb Cl O\n4 12 4\ndirect\n0.623008 0.876992 0.695566 Nb\n0.123008 0.623008 0.304434 Nb\n0.376992 0.123008 0.695566 Nb\n0.876992 0.376992 0.304434 Nb\n0.098358 0.401642 0.237760 Cl\n0.820665 0.899598 0.754891 Cl\n0.179335 0.100402 0.754891 Cl\n0.401642 0.901642 0.762240 Cl\n0.901642 0.598358 0.237760 Cl\n0.600402 0.679335 0.754891 Cl\n0.399598 0.320665 0.754891 Cl\n0.899598 0.179335 0.245109 Cl\n0.598358 0.098358 0.762240 Cl\n0.679335 0.399598 0.245109 Cl\n0.320665 0.600402 0.245109 Cl\n0.100402 0.820665 0.245109 Cl\n0.114818 0.614818 0.752347 O\n0.614818 0.885182 0.247653 O\n0.385182 0.114818 0.247653 O\n0.885182 0.385182 0.752347 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 2.7016202279706802,
"density_atomic": 0.037789594049070944,
"volume": 529.2462251388408,
"volume_molar": 15.935976322423752,
"formula_full": "Nb4 Cl12 O4",
"formula_reduced": "NbCl3O",
"formula_anonymous": "ABC3",
"energy": -124.9727523,
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"updated_at": "2021-11-28T01:34:55.734000Z",
"spacegroup": 113
},
{
"id": "mp-1195290",
"created_at": "2022-09-04T14:42:02.166147Z",
"structure_string": "Ga12 Si20 P40 H144 C48 N16 Cl44\n1.0\n-14.253279 0.000000 0.680234\n-0.021990 0.000000 -15.269059\n0.000000 -26.207070 0.000000\nGa Si P H C N Cl\n12 20 40 144 48 16 44\ndirect\n0.763005 0.859704 0.812750 Ga\n0.236995 0.640296 0.312750 Ga\n0.236995 0.140296 0.187250 Ga\n0.763005 0.359704 0.687250 Ga\n0.742777 0.709334 0.457096 Ga\n0.257223 0.790666 0.957096 Ga\n0.257223 0.290666 0.542904 Ga\n0.742777 0.209335 0.042904 Ga\n0.700795 0.608964 0.825798 Ga\n0.299205 0.891036 0.325798 Ga\n0.299205 0.391036 0.174202 Ga\n0.700795 0.108964 0.674202 Ga\n0.232926 0.743354 0.623147 Si\n0.767074 0.756646 0.123147 Si\n0.767074 0.256646 0.376853 Si\n0.232926 0.243354 0.876853 Si\n0.097500 0.561946 0.635393 Si\n0.902500 0.938054 0.135393 Si\n0.902500 0.438054 0.364607 Si\n0.097500 0.061946 0.864607 Si\n0.343504 0.703983 0.514176 Si\n0.656496 0.796017 0.014176 Si\n0.656496 0.296017 0.485824 Si\n0.343504 0.203983 0.985824 Si\n0.177199 0.950055 0.602956 Si\n0.822801 0.549945 0.102956 Si\n0.822801 0.049945 0.397044 Si\n0.177199 0.450055 0.897044 Si\n0.312392 0.764485 0.741409 Si\n0.687608 0.735515 0.241409 Si\n0.687608 0.235515 0.258591 Si\n0.312392 0.264485 0.758591 Si\n0.400370 0.716374 0.632595 P\n0.599630 0.783626 0.132595 P\n0.599630 0.283626 0.367405 P\n0.400370 0.216374 0.867405 P\n0.063798 0.766536 0.619038 P\n0.936202 0.733464 0.119038 P\n0.936202 0.233464 0.380962 P\n0.063798 0.266536 0.880962 P\n0.961052 0.794893 0.677892 P\n0.038948 0.705107 0.177892 P\n0.038948 0.205107 0.322108 P\n0.961052 0.294893 0.822108 P\n0.955793 0.765253 0.559810 P\n0.044207 0.734747 0.059810 P\n0.044207 0.234747 0.440190 P\n0.955793 0.265253 0.940190 P\n0.476508 0.597930 0.647942 P\n0.523492 0.902070 0.147942 P\n0.523492 0.402070 0.352058 P\n0.476508 0.097930 0.852058 P\n0.531806 0.795702 0.630231 P\n0.468194 0.704298 0.130231 P\n0.468194 0.204298 0.369769 P\n0.531806 0.295702 0.869769 P\n0.863255 0.717766 0.624889 P\n0.136745 0.782234 0.124889 P\n0.136745 0.282234 0.375111 P\n0.863255 0.217766 0.875111 P\n0.580088 0.693630 0.685703 P\n0.419912 0.806370 0.185703 P\n0.419912 0.306370 0.314297 P\n0.580088 0.193630 0.814297 P\n0.885436 0.858658 0.612958 P\n0.114564 0.641342 0.112958 P\n0.114564 0.141342 0.387042 P\n0.885436 0.358658 0.887042 P\n0.592170 0.669490 0.603710 P\n0.407830 0.830510 0.103710 P\n0.407830 0.330510 0.396290 P\n0.592170 0.169490 0.896290 P\n0.253014 0.534254 0.673530 H\n0.746986 0.965746 0.173530 H\n0.746986 0.465746 0.326470 H\n0.253014 0.034254 0.826470 H\n0.200881 0.438790 0.644386 H\n0.799119 0.061210 0.144386 H\n0.799119 0.561210 0.355614 H\n0.200881 0.938790 0.855614 H\n0.255390 0.520535 0.605496 H\n0.744610 0.979465 0.105496 H\n0.744610 0.479465 0.394504 H\n0.255390 0.020535 0.894504 H\n0.063671 0.532068 0.543733 H\n0.936329 0.967932 0.043733 H\n0.936329 0.467932 0.456267 H\n0.063671 0.032068 0.956267 H\n0.018801 0.447219 0.584277 H\n0.981199 0.052781 0.084277 H\n0.981199 0.552781 0.415723 H\n0.018801 0.947219 0.915723 H\n0.957080 0.544746 0.578688 H\n0.042920 0.955254 0.078688 H\n0.042920 0.455254 0.421312 H\n0.957080 0.044746 0.921312 H\n0.959570 0.571704 0.693904 H\n0.040430 0.928296 0.193904 H\n0.040430 0.428296 0.306096 H\n0.959570 0.071704 0.806096 H\n0.021297 0.475731 0.703668 H\n0.978703 0.024269 0.203668 H\n0.978703 0.524269 0.296332 H\n0.021297 0.975731 0.796332 H\n0.067451 0.577335 0.728585 H\n0.932549 0.922665 0.228585 H\n0.932549 0.422665 0.271415 H\n0.067451 0.077335 0.771415 H\n0.339677 0.940665 0.568982 H\n0.660323 0.559335 0.068982 H\n0.660323 0.059335 0.431018 H\n0.339677 0.440665 0.931018 H\n0.319925 0.044588 0.595766 H\n0.680075 0.455412 0.095766 H\n0.680075 0.955412 0.404234 H\n0.319925 0.544588 0.904234 H\n0.340621 0.955159 0.636805 H\n0.659379 0.544841 0.136805 H\n0.659379 0.044841 0.363195 H\n0.340621 0.455159 0.863195 H\n0.480950 0.810557 0.509283 H\n0.519050 0.689443 0.009283 H\n0.519050 0.189443 0.490717 H\n0.480950 0.310557 0.990717 H\n0.429442 0.790151 0.449028 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C\n0.879748 0.520375 0.041754 C\n0.879748 0.020375 0.458246 C\n0.120252 0.479625 0.958246 C\n0.393315 0.860113 0.756972 C\n0.606685 0.639887 0.256972 C\n0.606685 0.139887 0.243028 C\n0.393315 0.360113 0.743028 C\n0.161450 0.832679 0.613294 N\n0.838550 0.667321 0.113294 N\n0.838550 0.167321 0.386706 N\n0.161450 0.332679 0.886706 N\n0.128369 0.677960 0.626493 N\n0.871631 0.822040 0.126493 N\n0.871631 0.322040 0.373507 N\n0.128369 0.177960 0.873507 N\n0.315139 0.743304 0.673327 N\n0.684861 0.756696 0.173327 N\n0.684861 0.256696 0.326673 N\n0.315139 0.243304 0.826673 N\n0.326196 0.718250 0.582724 N\n0.673804 0.781750 0.082724 N\n0.673804 0.281750 0.417276 N\n0.326196 0.218250 0.917276 N\n0.715423 0.818877 0.510268 Cl\n0.284577 0.681123 0.010268 Cl\n0.284577 0.181123 0.489732 Cl\n0.715423 0.318877 0.989732 Cl\n0.649259 0.752612 0.838461 Cl\n0.350741 0.747388 0.338461 Cl\n0.350741 0.247388 0.161539 Cl\n0.649259 0.252612 0.661539 Cl\n0.799580 0.620268 0.763379 Cl\n0.200420 0.879732 0.263379 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Cl\n0.240913 0.428972 0.101512 Cl\n0.759087 0.071028 0.601512 Cl\n",
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"formula_full": "Ga12 Si20 P40 H144 C48 N16 Cl44",
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},
{
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"created_at": "2022-09-04T14:42:11.849580Z",
"structure_string": "Be1 Si1 O3\n1.0\n3.477388 0.000000 0.000000\n0.000000 3.477388 0.000000\n0.000000 0.000000 3.477388\nBe Si O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"formula_full": "Be1 Si1 O3",
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"updated_at": "2021-11-28T01:35:38.581000Z",
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},
{
"id": "mp-759120",
"created_at": "2022-09-04T14:41:28.639287Z",
"structure_string": "Li2 Mn4 O2 F6\n1.0\n-4.305761 4.444989 -0.058235\n-4.305559 -0.058036 4.445082\n0.110503 4.507289 4.507586\nLi Mn O F\n2 4 2 6\ndirect\n0.374912 0.375046 0.875024 Li\n0.374986 0.375017 0.375079 Li\n0.375332 0.874916 0.374920 Mn\n0.875169 0.374908 0.374950 Mn\n0.019402 0.019929 0.932365 Mn\n0.730061 0.730322 0.817642 Mn\n0.141351 0.141145 0.557888 O\n0.608896 0.608738 0.192106 O\n0.611343 0.611134 0.644612 F\n0.138730 0.138704 0.105415 F\n0.133396 0.602895 0.643707 F\n0.616507 0.147133 0.106354 F\n0.147000 0.616706 0.106202 F\n0.602914 0.133407 0.643737 F\n",
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"formula_full": "Li2 Mn4 O2 F6",
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},
{
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"created_at": "2022-09-04T14:41:26.962047Z",
"structure_string": "Li8 Mn6 Sn2 P8 O32\n1.0\n4.841280 -0.011378 6.293671\n-0.025865 10.850103 -0.000062\n-4.841202 0.011306 6.293611\nLi Mn Sn P O\n8 6 2 8 32\ndirect\n0.501880 0.990139 0.503023 Li\n0.001879 0.990153 0.003069 Li\n0.746929 0.990153 0.748122 Li\n0.246977 0.990141 0.248117 Li\n0.499298 0.511631 0.994967 Li\n0.999293 0.511628 0.494985 Li\n0.255016 0.511627 0.750703 Li\n0.755030 0.511634 0.250701 Li\n0.111513 0.214036 0.638481 Mn\n0.393472 0.785160 0.856535 Mn\n0.893464 0.785176 0.356527 Mn\n0.389469 0.723848 0.360521 Mn\n0.889463 0.723889 0.860548 Mn\n0.611512 0.214122 0.138495 Mn\n0.615106 0.283668 0.634892 Sn\n0.115106 0.283664 0.134894 Sn\n0.173171 0.604217 0.076828 P\n0.673171 0.604215 0.576816 P\n0.336327 0.074721 0.913738 P\n0.836266 0.074728 0.413690 P\n0.670978 0.906980 0.079020 P\n0.170988 0.906966 0.579013 P\n0.817289 0.414860 0.932713 P\n0.317285 0.414866 0.432716 P\n0.238310 0.472643 0.011684 O\n0.738345 0.472653 0.511656 O\n0.474098 0.395968 0.275901 O\n0.974098 0.395968 0.775900 O\n0.511946 0.901708 0.238054 O\n0.011955 0.901694 0.738045 O\n0.263996 0.946004 0.986182 O\n0.763817 0.946008 0.486005 O\n0.731993 0.040214 0.018006 O\n0.232002 0.040202 0.517996 O\n0.494390 0.064428 0.755616 O\n0.994381 0.064428 0.255617 O\n0.514021 0.603846 0.735973 O\n0.014025 0.603853 0.235975 O\n0.770150 0.552043 0.979849 O\n0.270196 0.552061 0.479802 O\n0.137360 0.670628 0.913575 O\n0.637354 0.670628 0.413576 O\n0.336421 0.670625 0.112639 O\n0.836381 0.670670 0.612668 O\n0.179398 0.145448 0.870353 O\n0.679386 0.145521 0.370279 O\n0.379724 0.145521 0.070619 O\n0.879658 0.145448 0.570635 O\n0.637805 0.838353 0.915541 O\n0.137818 0.838348 0.415534 O\n0.834458 0.838355 0.112194 O\n0.334465 0.838347 0.612181 O\n0.645736 0.351541 0.910147 O\n0.145736 0.351542 0.410151 O\n0.839851 0.351542 0.104262 O\n0.339848 0.351542 0.604263 O\n",
"nsites": 56,
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"elements": [
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],
"chemical_system": "Li-Mn-O-P-Sn",
"density": 3.471731451223811,
"density_atomic": 0.08469698033114656,
"volume": 661.1805967704199,
"volume_molar": 7.110218967021911,
"formula_full": "Li8 Mn6 Sn2 P8 O32",
"formula_reduced": "Li4Mn3Sn(PO4)4",
"formula_anonymous": "AB3C4D4E16",
"energy": -423.29090215,
"energy_per_atom": -7.558766109821429,
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"formation_energy": null,
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"energy_uncorrected": -391.29890215,
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"total_magnetization": 3.2e-06,
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"updated_at": "2021-11-28T01:35:13.482000Z",
"spacegroup": 6
}
]
}