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{
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"results": [
{
"id": "mp-757178",
"created_at": "2022-09-04T14:43:05.817104Z",
"structure_string": "Li12 Mn2 Co2 P4 C4 O28\n1.0\n0.458638 4.990775 6.515387\n-0.464581 -4.992865 6.517216\n8.546328 0.113711 -0.003843\nLi Mn Co P C O\n12 2 2 4 4 28\ndirect\n0.521155 0.730487 0.102185 Li\n0.019604 0.228919 0.102461 Li\n0.479277 0.270845 0.894765 Li\n0.979391 0.770467 0.895431 Li\n0.141537 0.875126 0.271548 Li\n0.641989 0.378075 0.270633 Li\n0.371303 0.108832 0.270818 Li\n0.876072 0.608051 0.271399 Li\n0.627607 0.892873 0.727009 Li\n0.126141 0.393016 0.729224 Li\n0.857015 0.122395 0.727004 Li\n0.357273 0.624100 0.730171 Li\n0.234691 0.015416 0.659926 Mn\n0.734917 0.515012 0.659650 Mn\n0.272275 0.479470 0.336089 Co\n0.768843 0.981266 0.331839 Co\n0.490385 0.760422 0.408131 P\n0.989872 0.259428 0.408621 P\n0.507614 0.242272 0.587288 P\n0.007054 0.742780 0.588222 P\n0.715947 0.034092 0.040982 C\n0.216205 0.533430 0.042473 C\n0.286261 0.963320 0.963925 C\n0.786682 0.463782 0.963926 C\n0.840384 0.909569 0.068004 O\n0.341227 0.408893 0.068097 O\n0.319763 0.929209 0.106620 O\n0.820594 0.430106 0.106626 O\n0.625671 0.124451 0.163597 O\n0.125247 0.622857 0.165366 O\n0.458153 0.292326 0.422615 O\n0.956101 0.794298 0.424525 O\n0.333118 0.916607 0.422799 O\n0.833569 0.416706 0.422760 O\n0.664469 0.085270 0.566929 O\n0.163507 0.585130 0.567070 O\n0.535165 0.716506 0.575596 O\n0.032553 0.214371 0.576304 O\n0.379175 0.869888 0.844371 O\n0.880219 0.370989 0.844416 O\n0.679892 0.070140 0.899283 O\n0.179880 0.570448 0.900955 O\n0.162915 0.087968 0.935882 O\n0.662112 0.587218 0.935804 O\n0.452217 0.611208 0.307825 O\n0.951091 0.111839 0.306270 O\n0.638212 0.799046 0.306409 O\n0.139728 0.297306 0.309749 O\n0.546150 0.388308 0.691427 O\n0.046751 0.887671 0.693079 O\n0.361433 0.203996 0.691205 O\n0.861598 0.703797 0.692696 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Li",
"Mn",
"Co",
"P",
"C",
"O"
],
"chemical_system": "C-Co-Li-Mn-O-P",
"density": 2.783832927570328,
"density_atomic": 0.09364152515061223,
"volume": 555.3091955343918,
"volume_molar": 6.431057963135522,
"formula_full": "Li12 Mn2 Co2 P4 C4 O28",
"formula_reduced": "Li6MnCoP2(CO7)2",
"formula_anonymous": "ABC2D2E6F14",
"energy": -375.04671526,
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"energy_uncorrected": -349.19871526,
"band_gap": 1.6453000000000002,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.297000Z",
"spacegroup": 6
},
{
"id": "mp-1178081",
"created_at": "2022-09-04T14:40:59.184785Z",
"structure_string": "Li12 Mn3 Co1 P4 C4 O28\n1.0\n6.587800 0.000000 0.000000\n0.000000 8.532466 0.000000\n0.000000 0.785992 9.973890\nLi Mn Co P C O\n12 3 1 4 4 28\ndirect\n0.000000 0.908067 0.619479 Li\n0.000000 0.905095 0.119309 Li\n0.223394 0.726849 0.877010 Li\n0.776606 0.726849 0.877010 Li\n0.223309 0.725861 0.376337 Li\n0.776691 0.725861 0.376337 Li\n0.724629 0.272950 0.622296 Li\n0.275371 0.272950 0.622296 Li\n0.725154 0.273758 0.124409 Li\n0.274846 0.273758 0.124409 Li\n0.500000 0.093263 0.880260 Li\n0.500000 0.092251 0.379770 Li\n0.500000 0.659362 0.611255 Mn\n0.500000 0.659502 0.111138 Mn\n0.000000 0.340027 0.888783 Mn\n0.000000 0.334756 0.397071 Co\n0.000000 0.590277 0.637232 P\n0.000000 0.586999 0.141148 P\n0.500000 0.409465 0.860565 P\n0.500000 0.410015 0.359717 P\n0.500000 0.967086 0.648565 C\n0.500000 0.967029 0.148635 C\n0.000000 0.032797 0.851557 C\n0.000000 0.037735 0.351142 C\n0.500000 0.930075 0.525789 O\n0.000000 0.886694 0.821843 O\n0.500000 0.929905 0.025841 O\n0.500000 0.855622 0.745747 O\n0.000000 0.891705 0.321781 O\n0.500000 0.855656 0.245923 O\n0.184089 0.690520 0.584128 O\n0.815911 0.690520 0.584128 O\n0.183426 0.688977 0.088121 O\n0.816574 0.688977 0.088121 O\n0.500000 0.579577 0.905337 O\n0.000000 0.575525 0.794034 O\n0.500000 0.579779 0.405249 O\n0.000000 0.568672 0.298352 O\n0.500000 0.422904 0.703562 O\n0.000000 0.420757 0.590639 O\n0.500000 0.422828 0.202964 O\n0.000000 0.420211 0.090928 O\n0.316076 0.309927 0.914648 O\n0.683924 0.309927 0.914648 O\n0.686103 0.311561 0.413980 O\n0.313897 0.311561 0.413980 O\n0.000000 0.144138 0.754233 O\n0.500000 0.113064 0.677978 O\n0.000000 0.150850 0.255550 O\n0.000000 0.069479 0.974300 O\n0.500000 0.112938 0.178123 O\n0.000000 0.075087 0.474342 O\n",
"nsites": 52,
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"elements": [
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"P",
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"O"
],
"chemical_system": "C-Co-Li-Mn-O-P",
"density": 2.7455586287513754,
"density_atomic": 0.09275210981133597,
"volume": 560.6341473608686,
"volume_molar": 6.4927264428264095,
"formula_full": "Li12 Mn3 Co1 P4 C4 O28",
"formula_reduced": "Li12Mn3CoP4(CO7)4",
"formula_anonymous": "AB3C4D4E12F28",
"energy": -378.77885727,
"energy_per_atom": -7.284208793653846,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -352.90085727,
"band_gap": 2.0535,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:35:08.640000Z",
"spacegroup": 6
},
{
"id": "mp-766814",
"created_at": "2022-09-04T14:42:44.339919Z",
"structure_string": "Li12 Mn1 Co3 P4 C4 O28\n1.0\n6.493189 0.000000 0.000000\n0.000000 8.460671 0.000000\n0.000000 0.854054 9.993120\nLi Mn Co P C O\n12 1 3 4 4 28\ndirect\n0.000000 0.900718 0.617345 Li\n0.000000 0.906175 0.117858 Li\n0.226749 0.722420 0.874106 Li\n0.773251 0.722420 0.874106 Li\n0.228258 0.724743 0.376450 Li\n0.771742 0.724743 0.376450 Li\n0.726820 0.277600 0.626257 Li\n0.273180 0.277600 0.626257 Li\n0.726508 0.276114 0.122355 Li\n0.273492 0.276114 0.122355 Li\n0.500000 0.098163 0.883285 Li\n0.500000 0.098786 0.383758 Li\n0.000000 0.339250 0.388505 Mn\n0.500000 0.668019 0.605420 Co\n0.500000 0.668862 0.104481 Co\n0.000000 0.331549 0.895212 Co\n0.000000 0.585901 0.641358 P\n0.000000 0.589853 0.136290 P\n0.500000 0.413415 0.861034 P\n0.500000 0.412898 0.361977 P\n0.500000 0.962207 0.649350 C\n0.500000 0.962838 0.149165 C\n0.000000 0.038265 0.849959 C\n0.000000 0.032198 0.350933 C\n0.500000 0.927535 0.526110 O\n0.000000 0.892451 0.819061 O\n0.500000 0.928350 0.026119 O\n0.500000 0.844945 0.743078 O\n0.000000 0.885472 0.320384 O\n0.500000 0.845233 0.242899 O\n0.186709 0.689771 0.589108 O\n0.813291 0.689771 0.589108 O\n0.187210 0.691669 0.083617 O\n0.812790 0.691669 0.083617 O\n0.500000 0.579755 0.913890 O\n0.000000 0.566853 0.797650 O\n0.500000 0.580048 0.414672 O\n0.000000 0.574423 0.292318 O\n0.500000 0.433186 0.705155 O\n0.000000 0.419530 0.589910 O\n0.500000 0.434140 0.205503 O\n0.000000 0.420225 0.088538 O\n0.313368 0.309245 0.912915 O\n0.686632 0.309245 0.912915 O\n0.684270 0.309001 0.414585 O\n0.315730 0.309001 0.414585 O\n0.000000 0.154976 0.756120 O\n0.500000 0.107701 0.681438 O\n0.000000 0.145595 0.254295 O\n0.000000 0.074022 0.973150 O\n0.500000 0.108296 0.181294 O\n0.000000 0.067045 0.473701 O\n",
"nsites": 52,
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"elements": [
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"Mn",
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"P",
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"O"
],
"chemical_system": "C-Co-Li-Mn-O-P",
"density": 2.827963788111484,
"density_atomic": 0.09471949835924146,
"volume": 548.9893939554056,
"volume_molar": 6.357868088743357,
"formula_full": "Li12 Mn1 Co3 P4 C4 O28",
"formula_reduced": "Li12MnCo3P4(CO7)4",
"formula_anonymous": "AB3C4D4E12F28",
"energy": -371.45673725,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.375000Z",
"spacegroup": 6
},
{
"id": "mp-1354033",
"created_at": "2022-09-04T14:48:23.851036Z",
"structure_string": "Li4 Mn3 Co1 Cu2 P6 O24\n1.0\n8.266728 0.000000 0.000000\n-3.741153 7.612129 0.000000\n-0.444597 -4.836524 7.508301\nLi Mn Co Cu P O\n4 3 1 2 6 24\ndirect\n0.100623 0.352671 0.133277 Li\n0.921725 0.655916 0.847011 Li\n0.141390 0.842984 0.206938 Li\n0.487822 0.239498 0.657270 Li\n0.290761 0.355506 0.354555 Mn\n0.698829 0.139723 0.156706 Mn\n0.696183 0.651957 0.656193 Mn\n0.311991 0.856747 0.841984 Co\n0.000209 0.999939 0.983844 Cu\n0.994438 0.494785 0.510224 Cu\n0.190994 0.445840 0.749438 P\n0.525988 0.753383 0.048028 P\n0.793617 0.068478 0.458319 P\n0.207010 0.950624 0.539172 P\n0.469023 0.248641 0.966541 P\n0.807031 0.540894 0.245410 P\n0.651657 0.697463 0.899837 O\n0.813437 0.903264 0.500649 O\n0.417329 0.479201 0.673943 O\n0.034715 0.259453 0.919651 O\n0.169430 0.604531 0.808874 O\n0.135407 0.421372 0.605772 O\n0.696642 0.914193 0.068874 O\n0.351139 0.590773 0.233114 O\n0.414541 0.979608 0.387297 O\n0.988388 0.267680 0.415276 O\n0.184674 0.940960 0.722827 O\n0.585597 0.187761 0.025949 O\n0.390405 0.814070 0.015616 O\n0.823752 0.081686 0.270715 O\n0.020801 0.750467 0.575419 O\n0.593036 0.055824 0.605562 O\n0.646750 0.399179 0.775686 O\n0.303507 0.082456 0.941327 O\n0.864378 0.574248 0.390125 O\n0.862087 0.401507 0.172273 O\n0.957728 0.736489 0.090172 O\n0.569504 0.466654 0.324987 O\n0.174173 0.108108 0.494545 O\n0.336284 0.308466 0.103597 O\n",
"nsites": 40,
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"elements": [
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],
"chemical_system": "Co-Cu-Li-Mn-O-P",
"density": 3.333293884523742,
"density_atomic": 0.0846600515974264,
"volume": 472.4778599262745,
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"formula_full": "Li4 Mn3 Co1 Cu2 P6 O24",
"formula_reduced": "Li4Mn3CoCu2(PO4)6",
"formula_anonymous": "AB2C3D4E6F24",
"energy": -169.12821709,
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"updated_at": "2021-11-28T01:39:15.524000Z",
"spacegroup": 1
},
{
"id": "mp-1177395",
"created_at": "2022-09-04T14:47:45.404159Z",
"structure_string": "Li4 Mn3 Co1 Cu2 P6 O24\n1.0\n8.262549 0.009954 -0.262653\n4.089212 -7.999962 -0.109118\n4.299855 -2.652560 -7.273274\nLi Mn Co Cu P O\n4 3 1 2 6 24\ndirect\n0.252048 0.866723 0.647329 Li\n0.734191 0.152989 0.344084 Li\n0.701594 0.793062 0.157016 Li\n0.751677 0.342730 0.760502 Li\n0.064745 0.645445 0.644494 Mn\n0.440893 0.843294 0.860277 Mn\n0.955774 0.343807 0.348043 Mn\n0.544756 0.158016 0.143253 Co\n0.999730 0.016156 0.000061 Cu\n0.500347 0.489776 0.505215 Cu\n0.254845 0.250562 0.554160 P\n0.227394 0.951972 0.246617 P\n0.274861 0.541681 0.931522 P\n0.743614 0.460828 0.049376 P\n0.779617 0.033459 0.751359 P\n0.733863 0.754590 0.459106 P\n0.045806 0.100163 0.302537 O\n0.089827 0.499351 0.096736 O\n0.061872 0.326057 0.520799 O\n0.224739 0.080349 0.740547 O\n0.435101 0.191126 0.395469 O\n0.285965 0.394228 0.578628 O\n0.217550 0.931126 0.085807 O\n0.239634 0.766886 0.409227 O\n0.565068 0.612703 0.020392 O\n0.279292 0.584724 0.732320 O\n0.756286 0.277173 0.059040 O\n0.602164 0.974051 0.812239 O\n0.423665 0.984384 0.185930 O\n0.257934 0.729285 0.918314 O\n0.729666 0.424581 0.249533 O\n0.462788 0.394438 0.944176 O\n0.752429 0.224314 0.600821 O\n0.778949 0.058673 0.917544 O\n0.709869 0.609875 0.425752 O\n0.539420 0.827727 0.598493 O\n0.778761 0.909828 0.263511 O\n0.897150 0.675013 0.533346 O\n0.933935 0.505455 0.891892 O\n0.972183 0.896403 0.691534 O\n",
"nsites": 40,
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"elements": [
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],
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"density": 3.3332937360436894,
"density_atomic": 0.0846600478262831,
"volume": 472.4778809725857,
"volume_molar": 7.113320763008592,
"formula_full": "Li4 Mn3 Co1 Cu2 P6 O24",
"formula_reduced": "Li4Mn3CoCu2(PO4)6",
"formula_anonymous": "AB2C3D4E6F24",
"energy": -294.19132202,
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"updated_at": "2021-11-28T01:38:24.660000Z",
"spacegroup": 1
},
{
"id": "mp-1340838",
"created_at": "2022-09-04T14:39:17.222815Z",
"structure_string": "Li2 Mg1 Zr2 H4 O4 F12\n1.0\n-6.908169 0.000000 0.000000\n1.928194 6.658494 0.000000\n-0.019979 -3.384237 -6.734674\nLi Mg Zr H O F\n2 1 2 4 4 12\ndirect\n0.927806 0.798118 0.675221 Li\n0.072194 0.201882 0.324779 Li\n0.500000 0.000000 0.000000 Mg\n0.001059 0.741381 0.249577 Zr\n0.998941 0.258619 0.750423 Zr\n0.751833 0.312480 0.138058 H\n0.248167 0.687520 0.861942 H\n0.535789 0.236973 0.202454 H\n0.464211 0.763027 0.797546 H\n0.618172 0.216583 0.128149 O\n0.381828 0.783417 0.871851 O\n0.602135 0.677972 0.669201 O\n0.397865 0.322028 0.330799 O\n0.964899 0.470715 0.188053 F\n0.035101 0.529285 0.811947 F\n0.708272 0.803033 0.167851 F\n0.291728 0.196967 0.832149 F\n0.957161 0.874902 0.917648 F\n0.042839 0.125098 0.082352 F\n0.300898 0.838650 0.196133 F\n0.699102 0.161350 0.803867 F\n0.822285 0.486506 0.485378 F\n0.177715 0.513494 0.514622 F\n0.062353 0.883195 0.445720 F\n0.937647 0.116805 0.554280 F\n",
"nsites": 25,
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"elements": [
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"Zr",
"H",
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"F"
],
"chemical_system": "F-H-Li-Mg-O-Zr",
"density": 2.7694016759497178,
"density_atomic": 0.080702030963231,
"volume": 309.7815470268692,
"volume_molar": 7.462192324185462,
"formula_full": "Li2 Mg1 Zr2 H4 O4 F12",
"formula_reduced": "Li2MgZr2H4(OF3)4",
"formula_anonymous": "AB2C2D4E4F12",
"energy": -83.64825203,
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"updated_at": "2021-11-28T01:34:36.182000Z",
"spacegroup": 2
},
{
"id": "mp-1223295",
"created_at": "2022-09-04T14:44:55.469859Z",
"structure_string": "Li2 Mg1 Zr2 H4 O4 F12\n1.0\n-6.907856 0.064572 -0.012823\n-1.866996 5.958375 -3.010909\n-0.006197 -0.022292 -7.537159\nLi Mg Zr H O F\n2 1 2 4 4 12\ndirect\n0.072194 0.473339 0.324779 Li\n0.927806 0.526661 0.675221 Li\n0.500000 0.000000 0.000000 Mg\n0.998941 0.990958 0.750423 Zr\n0.001059 0.009042 0.249577 Zr\n0.248167 0.450538 0.861942 H\n0.751833 0.549462 0.138058 H\n0.464211 0.439427 0.797546 H\n0.535789 0.560573 0.202454 H\n0.381828 0.344732 0.871851 O\n0.618172 0.655268 0.128149 O\n0.397865 0.347173 0.330799 O\n0.602135 0.652827 0.669201 O\n0.035101 0.658768 0.811947 F\n0.964899 0.341232 0.188053 F\n0.291728 0.970884 0.832149 F\n0.708272 0.029116 0.167851 F\n0.042839 0.792550 0.082352 F\n0.957161 0.207450 0.917648 F\n0.699102 0.034783 0.803867 F\n0.300898 0.965217 0.196133 F\n0.177715 0.971884 0.514622 F\n0.822285 0.028116 0.485378 F\n0.937647 0.328914 0.554280 F\n0.062353 0.671086 0.445720 F\n",
"nsites": 25,
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"elements": [
"Li",
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"Zr",
"H",
"O",
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{
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