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{
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"results": [
{
"id": "mp-18703",
"created_at": "2022-09-04T14:44:11.422994Z",
"structure_string": "Ba4 Mn4 P8 O28\n1.0\n5.645387 0.000000 -0.022751\n0.000000 8.697096 0.000000\n-0.034089 0.000000 13.152002\nBa Mn P O\n4 4 8 28\ndirect\n0.781712 0.354642 0.219379 Ba\n0.718287 0.854642 0.280621 Ba\n0.218288 0.645358 0.780621 Ba\n0.281713 0.145358 0.719379 Ba\n0.683490 0.840973 0.607345 Mn\n0.316510 0.159027 0.392655 Mn\n0.816510 0.340973 0.892655 Mn\n0.183490 0.659027 0.107345 Mn\n0.310507 0.305202 0.019160 P\n0.189493 0.805202 0.480840 P\n0.689493 0.694798 0.980840 P\n0.810507 0.194798 0.519160 P\n0.251760 0.548744 0.335849 P\n0.751760 0.951256 0.835849 P\n0.748240 0.451256 0.664151 P\n0.248240 0.048743 0.164151 P\n0.235642 0.627199 0.447577 O\n0.264358 0.127199 0.052423 O\n0.764358 0.372801 0.552423 O\n0.735642 0.872802 0.947577 O\n0.500446 0.577386 0.295079 O\n0.999553 0.077387 0.204921 O\n0.499554 0.422613 0.704921 O\n0.000447 0.922613 0.795079 O\n0.183471 0.407816 0.097372 O\n0.316529 0.907816 0.402628 O\n0.816529 0.592184 0.902628 O\n0.683471 0.092184 0.597372 O\n0.803907 0.684330 0.087141 O\n0.696092 0.184329 0.412859 O\n0.196093 0.315671 0.912859 O\n0.303908 0.815671 0.587141 O\n0.561778 0.875434 0.766796 O\n0.938222 0.375434 0.733204 O\n0.438222 0.124567 0.233204 O\n0.061778 0.624567 0.266796 O\n0.808076 0.620841 0.648699 O\n0.691924 0.120842 0.851301 O\n0.420472 0.669361 0.979676 O\n0.308076 0.879158 0.148699 O\n0.920473 0.830639 0.479676 O\n0.579528 0.330639 0.020324 O\n0.079527 0.169361 0.520324 O\n0.191924 0.379158 0.351301 O\n",
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"formula_full": "Ba4 Mn4 P8 O28",
"formula_reduced": "BaMnP2O7",
"formula_anonymous": "ABC2D7",
"energy": -354.53263104,
"energy_per_atom": -8.057559796363636,
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"updated_at": "2021-11-28T01:36:27.181000Z",
"spacegroup": 14
},
{
"id": "mp-1522941",
"created_at": "2022-09-04T14:44:11.453459Z",
"structure_string": "Ca4 Eu4 Al4 Bi4 O24\n1.0\n8.791781 0.000000 0.000000\n0.000000 8.749250 0.000000\n0.000000 0.000000 8.548773\nCa Eu Al Bi O\n4 4 4 4 24\ndirect\n-0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n-0.000000 0.000000 0.500000 Ca\n-0.000000 0.500000 0.500000 Eu\n0.500000 0.500000 -0.000000 Eu\n0.500000 0.000000 -0.000000 Eu\n-0.000000 0.500000 -0.000000 Eu\n0.749316 0.754160 0.745419 Al\n0.250684 0.245840 0.745419 Al\n0.250684 0.754160 0.254581 Al\n0.749316 0.245840 0.254581 Al\n0.249782 0.240216 0.261059 Bi\n0.750218 0.759784 0.261059 Bi\n0.750218 0.240216 0.738941 Bi\n0.249782 0.759784 0.738941 Bi\n0.983086 0.221850 0.275869 O\n0.016914 0.778150 0.275869 O\n0.016914 0.221850 0.724132 O\n0.983086 0.778150 0.724132 O\n0.277815 0.984829 0.217958 O\n0.277815 0.015171 0.782042 O\n0.722185 0.015171 0.217958 O\n0.722185 0.984829 0.782042 O\n0.223866 0.275264 0.982184 O\n0.776134 0.275264 0.017816 O\n0.223866 0.724736 0.017816 O\n0.776134 0.724736 0.982184 O\n0.518789 0.277853 0.221569 O\n0.481211 0.722147 0.221569 O\n0.481211 0.277853 0.778431 O\n0.518789 0.722147 0.778431 O\n0.225186 0.518546 0.275949 O\n0.225186 0.481454 0.724051 O\n0.774814 0.481454 0.275949 O\n0.774814 0.518546 0.724051 O\n0.279249 0.224465 0.513196 O\n0.720751 0.224465 0.486804 O\n0.279249 0.775535 0.486804 O\n0.720751 0.775535 0.513196 O\n",
"nsites": 40,
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"elements": [
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"Eu",
"Al",
"Bi",
"O"
],
"chemical_system": "Al-Bi-Ca-Eu-O",
"density": 5.29284509333011,
"density_atomic": 0.06082869768573909,
"volume": 657.5843560987128,
"volume_molar": 9.900163885001032,
"formula_full": "Ca4 Eu4 Al4 Bi4 O24",
"formula_reduced": "CaEuAlBiO6",
"formula_anonymous": "ABCDE6",
"energy": -286.70700335,
"energy_per_atom": -7.16767508375,
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"updated_at": "2021-11-28T01:36:33.576000Z",
"spacegroup": 16
},
{
"id": "mp-1218285",
"created_at": "2022-09-04T14:44:11.304283Z",
"structure_string": "Sr1 Eu1 Sc1 O4\n1.0\n-2.879110 -2.877930 0.000000\n-2.879110 2.877930 0.000000\n-2.879110 0.000000 -6.226641\nSr Eu Sc O\n1 1 1 4\ndirect\n0.142839 0.142839 0.714323 Sr\n0.859969 0.859969 0.280061 Eu\n0.501629 0.501629 0.996742 Sc\n0.331396 0.331396 0.337208 O\n0.677508 0.677508 0.644983 O\n0.493329 0.993329 0.013342 O\n0.993329 0.493329 0.013342 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
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"Eu",
"Sc",
"O"
],
"chemical_system": "Eu-O-Sc-Sr",
"density": 5.608882178232203,
"density_atomic": 0.06783842135382476,
"volume": 103.18636342508782,
"volume_molar": 8.877182929405636,
"formula_full": "Sr1 Eu1 Sc1 O4",
"formula_reduced": "SrEuScO4",
"formula_anonymous": "ABCD4",
"energy": -61.48193524,
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"updated_at": "2021-11-28T01:36:28.377000Z",
"spacegroup": 107
},
{
"id": "mp-707364",
"created_at": "2022-09-04T14:44:10.692132Z",
"structure_string": "Ag8 H24 C8 N24 O32\n1.0\n16.847434 0.000000 0.000000\n0.000000 6.718299 0.000000\n0.000000 3.659393 10.081022\nAg H C N O\n8 24 8 24 32\ndirect\n0.814707 0.073726 0.772675 Ag\n0.685293 0.073726 0.272675 Ag\n0.185293 0.926274 0.227325 Ag\n0.314707 0.926274 0.727325 Ag\n0.972808 0.605517 0.325877 Ag\n0.527192 0.605517 0.825877 Ag\n0.027192 0.394483 0.674123 Ag\n0.472808 0.394483 0.174123 Ag\n0.088141 0.631340 0.117860 H\n0.411859 0.631340 0.617860 H\n0.911859 0.368660 0.882140 H\n0.588141 0.368660 0.382140 H\n0.187813 0.576097 0.106225 H\n0.312187 0.576097 0.606225 H\n0.812187 0.423903 0.893775 H\n0.687813 0.423903 0.393775 H\n0.191661 0.176362 0.421313 H\n0.308339 0.176362 0.921313 H\n0.808339 0.823638 0.578687 H\n0.691661 0.823638 0.078687 H\n0.247695 0.320662 0.285071 H\n0.252305 0.320662 0.785071 H\n0.752305 0.679338 0.714929 H\n0.747695 0.679338 0.214929 H\n0.954666 0.180304 0.153547 H\n0.545334 0.180304 0.653547 H\n0.045334 0.819696 0.846453 H\n0.454666 0.819696 0.346453 H\n0.854871 0.276456 0.143168 H\n0.645129 0.276456 0.643168 H\n0.145129 0.723544 0.856832 H\n0.354871 0.723544 0.356832 H\n0.129594 0.400133 0.278519 C\n0.370406 0.400133 0.778519 C\n0.870406 0.599867 0.721481 C\n0.629594 0.599867 0.221481 C\n0.881072 0.018200 0.304818 C\n0.618928 0.018200 0.804818 C\n0.118928 0.981800 0.695182 C\n0.381072 0.981800 0.195182 C\n0.140011 0.573502 0.166388 N\n0.359989 0.573502 0.666388 N\n0.859989 0.426498 0.833612 N\n0.640011 0.426498 0.333612 N\n0.192902 0.268330 0.323272 N\n0.307098 0.268330 0.823272 N\n0.807098 0.731670 0.676728 N\n0.692902 0.731670 0.176728 N\n0.940606 0.876623 0.361341 N\n0.559394 0.876623 0.861341 N\n0.059394 0.123377 0.638659 N\n0.440606 0.123377 0.138659 N\n0.898917 0.177643 0.193190 N\n0.601083 0.177643 0.693190 N\n0.101083 0.822357 0.806810 N\n0.398917 0.822357 0.306810 N\n0.920123 0.810570 0.002024 N\n0.579877 0.810570 0.502024 N\n0.079877 0.189430 0.997976 N\n0.420123 0.189430 0.497976 N\n0.825944 0.368064 0.482471 N\n0.674056 0.368064 0.982471 N\n0.174056 0.631936 0.517529 N\n0.325944 0.631936 0.017529 N\n0.854157 0.840014 0.045817 O\n0.645843 0.840014 0.545817 O\n0.145843 0.159986 0.954183 O\n0.354157 0.159986 0.454183 O\n0.934513 0.885354 0.877325 O\n0.565487 0.885354 0.377325 O\n0.065487 0.114646 0.122675 O\n0.434513 0.114646 0.622675 O\n0.975132 0.705636 0.079299 O\n0.524868 0.705636 0.579299 O\n0.024868 0.294364 0.920701 O\n0.475132 0.294364 0.420701 O\n0.830644 0.495948 0.363510 O\n0.669356 0.495948 0.863510 O\n0.169356 0.504052 0.636490 O\n0.330644 0.504052 0.136490 O\n0.886716 0.274686 0.542895 O\n0.613284 0.274686 0.042895 O\n0.113284 0.725314 0.457105 O\n0.386716 0.725314 0.957105 O\n0.758604 0.335227 0.540213 O\n0.741396 0.335227 0.040213 O\n0.241396 0.664773 0.459787 O\n0.258604 0.664773 0.959787 O\n0.063901 0.362822 0.338693 O\n0.436099 0.362822 0.838693 O\n0.936099 0.637178 0.661307 O\n0.563901 0.637178 0.161307 O\n0.813870 0.988642 0.362928 O\n0.686130 0.988642 0.862928 O\n0.186130 0.011358 0.637072 O\n0.313870 0.011358 0.137072 O\n",
"nsites": 96,
"nelements": 5,
"elements": [
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"H",
"C",
"N",
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],
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"density": 2.6651764305711962,
"density_atomic": 0.08413439545854759,
"volume": 1141.031554060414,
"volume_molar": 7.157763156409754,
"formula_full": "Ag8 H24 C8 N24 O32",
"formula_reduced": "AgH3CN3O4",
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"energy": -594.95366361,
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"updated_at": "2021-11-28T01:36:27.583000Z",
"spacegroup": 14
},
{
"id": "mp-1228919",
"created_at": "2022-09-04T14:44:11.004922Z",
"structure_string": "Al1 Fe3\n1.0\n-1.525042 -1.444110 1.444110\n-1.525042 1.444110 -1.444110\n0.000000 -5.513188 -5.513188\nAl Fe\n1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.251141 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.748859 Fe\n",
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"elements": [
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"density": 6.650598911513688,
"density_atomic": 0.0823597686562554,
"volume": 48.567402085535015,
"volume_molar": 7.311993292665236,
"formula_full": "Al1 Fe3",
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"energy": -29.4996657,
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"updated_at": "2021-11-28T01:36:33.136000Z",
"spacegroup": 65
},
{
"id": "mp-26854",
"created_at": "2022-09-04T14:44:11.450313Z",
"structure_string": "Cr4 P8 O28\n1.0\n6.546937 0.000000 -2.620667\n0.000000 8.196780 0.000000\n0.006525 0.000000 8.832318\nCr P O\n4 8 28\ndirect\n0.377397 0.085532 0.612644 Cr\n0.622603 0.914468 0.387356 Cr\n0.122603 0.585532 0.887356 Cr\n0.877397 0.414468 0.112643 Cr\n0.178379 0.729779 0.247231 P\n0.424414 0.239974 0.961120 P\n0.678379 0.770221 0.747231 P\n0.924414 0.260026 0.461120 P\n0.321621 0.229779 0.252769 P\n0.075586 0.739974 0.538880 P\n0.575586 0.760026 0.038880 P\n0.821621 0.270221 0.752769 P\n0.370622 0.155722 0.104510 O\n0.564310 0.615220 0.680010 O\n0.064310 0.884780 0.180010 O\n0.307394 0.400354 0.916630 O\n0.629378 0.844278 0.895490 O\n0.392275 0.083087 0.377155 O\n0.692606 0.599646 0.083370 O\n0.362938 0.108518 0.830487 O\n0.156007 0.234300 0.527614 O\n0.607725 0.916913 0.622845 O\n0.892275 0.416913 0.877155 O\n0.910421 0.747638 0.811187 O\n0.589579 0.247638 0.688813 O\n0.870622 0.344278 0.604510 O\n0.107725 0.583087 0.122845 O\n0.935690 0.115220 0.819990 O\n0.089579 0.252362 0.188813 O\n0.637062 0.891482 0.169513 O\n0.656007 0.265700 0.027614 O\n0.343993 0.734300 0.972386 O\n0.192606 0.900354 0.583370 O\n0.862938 0.391482 0.330487 O\n0.137062 0.608518 0.669513 O\n0.435690 0.384780 0.319990 O\n0.410421 0.752362 0.311187 O\n0.807394 0.099646 0.416630 O\n0.843993 0.765700 0.472386 O\n0.129378 0.655722 0.395490 O\n",
"nsites": 40,
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"elements": [
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"P",
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],
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"density": 3.165312246899369,
"density_atomic": 0.0843675511307282,
"volume": 474.1159304010102,
"volume_molar": 7.137982173583116,
"formula_full": "Cr4 P8 O28",
"formula_reduced": "CrP2O7",
"formula_anonymous": "AB2C7",
"energy": -315.04622225,
"energy_per_atom": -7.8761555562500005,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:33.446000Z",
"spacegroup": 14
},
{
"id": "mp-1311690",
"created_at": "2022-09-04T14:44:10.824616Z",
"structure_string": "Li6 Mn6 Te2 O16\n1.0\n5.290865 1.560202 -2.742885\n-1.791736 6.067715 0.003405\n3.444746 1.021704 7.906156\nLi Mn Te O\n6 6 2 16\ndirect\n0.750170 0.250197 0.750041 Li\n0.249894 0.750100 0.250086 Li\n0.749844 0.750084 0.750053 Li\n0.249918 0.250178 0.250011 Li\n0.999510 0.507904 0.499894 Li\n0.500446 0.992282 0.000054 Li\n0.250017 0.750041 0.749994 Mn\n0.750365 0.249812 0.250415 Mn\n0.249826 0.250004 0.749754 Mn\n0.750007 0.749789 0.249846 Mn\n0.003352 0.499559 0.999856 Mn\n0.496969 0.000396 0.500270 Mn\n0.499580 0.498349 0.499819 Te\n0.000364 0.001822 0.000161 Te\n0.537366 0.973772 0.254653 O\n0.037039 0.525815 0.754215 O\n0.462668 0.973782 0.745653 O\n0.962613 0.526247 0.245253 O\n0.775475 0.781212 0.008043 O\n0.275023 0.280080 0.493813 O\n0.273584 0.718190 0.507582 O\n0.776538 0.219986 0.994036 O\n0.488086 0.500467 0.274884 O\n0.989495 0.999233 0.775071 O\n0.225047 0.219846 0.006120 O\n0.724555 0.718808 0.491858 O\n0.723560 0.280063 0.506090 O\n0.226320 0.781840 0.992409 O\n0.510391 0.500659 0.724914 O\n0.011965 0.999480 0.225152 O\n",
"nsites": 30,
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"elements": [
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"O"
],
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"density": 4.331963793322123,
"density_atomic": 0.08868693544283665,
"volume": 338.26853809078295,
"volume_molar": 6.790335836873721,
"formula_full": "Li6 Mn6 Te2 O16",
"formula_reduced": "Li3Mn3TeO8",
"formula_anonymous": "AB3C3D8",
"energy": -212.38356668,
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"updated_at": "2021-11-28T01:36:28.401000Z",
"spacegroup": 13
},
{
"id": "mp-1245338",
"created_at": "2022-09-04T14:44:11.153965Z",
"structure_string": "Mg16 Mn6 N18\n1.0\n0.000000 4.402291 0.000000\n7.011058 0.000000 -0.064083\n-2.018998 0.000000 -14.821236\nMg Mn N\n16 6 18\ndirect\n0.749829 0.493259 0.921808 Mg\n0.749829 0.006741 0.578192 Mg\n0.250171 0.506741 0.078192 Mg\n0.250171 0.993259 0.421808 Mg\n0.754162 0.049653 0.285585 Mg\n0.754162 0.450347 0.214415 Mg\n0.245838 0.950347 0.714415 Mg\n0.245838 0.549653 0.785585 Mg\n0.755794 0.807633 0.103351 Mg\n0.755794 0.692367 0.396649 Mg\n0.244206 0.192367 0.896649 Mg\n0.244206 0.307633 0.603351 Mg\n0.251012 0.111102 0.153135 Mg\n0.251012 0.388898 0.346865 Mg\n0.748988 0.888898 0.846865 Mg\n0.748988 0.611102 0.653135 Mg\n0.313806 0.750000 0.250000 Mn\n0.686194 0.250000 0.750000 Mn\n0.747525 0.260802 0.456264 Mn\n0.747525 0.239198 0.043736 Mn\n0.252475 0.739198 0.543736 Mn\n0.252475 0.760802 0.956264 Mn\n0.750701 0.011616 0.430576 N\n0.750701 0.488384 0.069424 N\n0.249299 0.988384 0.569424 N\n0.249299 0.511616 0.930576 N\n0.725656 0.750000 0.250000 N\n0.274344 0.250000 0.750000 N\n0.254110 0.826446 0.073689 N\n0.254110 0.673554 0.426311 N\n0.745890 0.173554 0.926311 N\n0.745890 0.326446 0.573689 N\n0.244361 0.022892 0.282401 N\n0.244361 0.477108 0.217599 N\n0.755639 0.977108 0.717599 N\n0.755639 0.522892 0.782401 N\n0.751804 0.376434 0.358319 N\n0.751804 0.123566 0.141681 N\n0.248196 0.623566 0.641681 N\n0.248196 0.876434 0.858319 N\n",
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"elements": [
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],
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"formula_full": "Mg16 Mn6 N18",
"formula_reduced": "Mg8(MnN3)3",
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"spacegroup": 13
},
{
"id": "mp-768874",
"created_at": "2022-09-04T14:44:11.155499Z",
"structure_string": "Li8 Cr2 Fe6 O16\n1.0\n1.497395 0.863778 4.900045\n5.969286 0.002457 0.005638\n-2.980418 10.334920 0.001109\nLi Cr Fe O\n8 2 6 16\ndirect\n0.999139 0.125467 0.750153 Li\n0.000221 0.999568 0.000401 Li\n0.002933 0.248976 0.500187 Li\n0.999797 0.375176 0.249999 Li\n0.000816 0.624399 0.749685 Li\n0.997300 0.500741 0.999864 Li\n0.999878 0.750566 0.499607 Li\n0.000005 0.874870 0.250090 Li\n0.501178 0.812227 0.373784 Cr\n0.498806 0.937841 0.126197 Cr\n0.498981 0.062838 0.875902 Fe\n0.499992 0.186987 0.624237 Fe\n0.501098 0.312696 0.374369 Fe\n0.500007 0.562978 0.875776 Fe\n0.498829 0.437396 0.125609 Fe\n0.501084 0.687095 0.624096 Fe\n0.273446 0.085842 0.310337 O\n0.727230 0.036035 0.438214 O\n0.270650 0.338366 0.811593 O\n0.728845 0.287205 0.939841 O\n0.726307 0.160922 0.189147 O\n0.270402 0.212353 0.062599 O\n0.271122 0.462785 0.560170 O\n0.729383 0.411553 0.688389 O\n0.273623 0.589195 0.310853 O\n0.729508 0.537792 0.437397 O\n0.271355 0.837486 0.810456 O\n0.725973 0.788890 0.941418 O\n0.272733 0.714051 0.061822 O\n0.274002 0.961080 0.558601 O\n0.726586 0.664202 0.189658 O\n0.728771 0.912423 0.689548 O\n",
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"elements": [
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],
"chemical_system": "Cr-Fe-Li-O",
"density": 4.124010195944655,
"density_atomic": 0.10588227792399203,
"volume": 302.2224363454979,
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"formula_full": "Li8 Cr2 Fe6 O16",
"formula_reduced": "Li4CrFe3O8",
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"energy": -230.38908451,
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"updated_at": "2021-11-28T01:36:26.568000Z",
"spacegroup": 2
},
{
"id": "mp-767433",
"created_at": "2022-09-04T14:44:11.159297Z",
"structure_string": "Li3 V6 O3 F15\n1.0\n4.589796 0.000000 0.000000\n0.268715 8.717726 0.000000\n0.146821 4.354452 7.572989\nLi V O F\n3 6 3 15\ndirect\n0.510545 0.334574 0.331257 Li\n0.995526 0.002612 0.996858 Li\n0.497088 0.664702 0.664597 Li\n0.987293 0.352335 0.008570 V\n0.513162 0.668202 0.004939 V\n0.986455 0.661914 0.353077 V\n0.511137 0.987382 0.326863 V\n0.513111 0.304764 0.688298 V\n0.987961 0.005849 0.659988 V\n0.744720 0.462387 0.097981 O\n0.732960 0.778658 0.431340 O\n0.764813 0.110944 0.764415 O\n0.759205 0.119619 0.108061 F\n0.266986 0.223194 0.213394 F\n0.746795 0.107309 0.433985 F\n0.773908 0.772015 0.118612 F\n0.264053 0.564473 0.226534 F\n0.265665 0.212579 0.556850 F\n0.233996 0.886327 0.222622 F\n0.733752 0.437449 0.459318 F\n0.256462 0.539282 0.562562 F\n0.252578 0.895189 0.545286 F\n0.234109 0.230849 0.890427 F\n0.742190 0.436410 0.787957 F\n0.730577 0.786749 0.771801 F\n0.255791 0.566932 0.889320 F\n0.239161 0.887301 0.884986 F\n",
"nsites": 27,
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"elements": [
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"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.613803840027758,
"density_atomic": 0.08910454155807164,
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"volume_molar": 6.758511580551954,
"formula_full": "Li3 V6 O3 F15",
"formula_reduced": "LiV2OF5",
"formula_anonymous": "ABC2D5",
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"spacegroup": 1
},
{
"id": "mp-764759",
"created_at": "2022-09-04T14:44:11.160053Z",
"structure_string": "Li6 Mn5 O12\n1.0\n4.319840 2.603968 0.000000\n-4.319840 2.603968 0.000000\n0.000000 1.335998 9.451200\nLi Mn O\n6 5 12\ndirect\n0.744373 0.255627 0.500000 Li\n0.818266 0.639927 0.264406 Li\n0.688661 0.861742 0.734712 Li\n0.360073 0.181734 0.735594 Li\n0.138258 0.311339 0.265288 Li\n0.081273 0.918727 0.500000 Li\n0.927680 0.072320 0.000000 Mn\n0.580308 0.419692 0.000000 Mn\n0.479747 0.984873 0.253648 Mn\n0.015127 0.520253 0.746352 Mn\n0.420610 0.579390 0.500000 Mn\n0.826893 0.311562 0.127151 O\n0.688438 0.173107 0.872849 O\n0.913627 0.764719 0.880434 O\n0.703377 0.552674 0.618149 O\n0.740693 0.931298 0.378724 O\n0.447326 0.296623 0.381851 O\n0.595067 0.726792 0.112000 O\n0.235281 0.086373 0.119566 O\n0.351765 0.842255 0.633338 O\n0.273208 0.404933 0.888000 O\n0.068702 0.259307 0.621276 O\n0.157745 0.648235 0.366662 O\n",
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],
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"density": 3.9698468429276836,
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"volume": 212.6279018050683,
"volume_molar": 5.567283279015562,
"formula_full": "Li6 Mn5 O12",
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"formula_anonymous": "A5B6C12",
"energy": -164.90207581,
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{
"id": "mp-1044122",
"created_at": "2022-09-04T14:44:11.890779Z",
"structure_string": "Mg2 P4 W4 O20\n1.0\n0.000000 6.118898 7.834927\n3.790241 0.000000 7.834927\n3.790241 6.118898 0.000000\nMg P W O\n2 4 4 20\ndirect\n0.500437 0.999563 0.999563 Mg\n0.250437 0.749563 0.749563 Mg\n0.043597 0.555737 0.955304 P\n0.694263 0.206403 0.804638 P\n0.445362 0.955304 0.555737 P\n0.294696 0.804638 0.206403 P\n0.871725 0.379657 0.380388 W\n0.368230 0.380388 0.379657 W\n0.870343 0.378275 0.881770 W\n0.869612 0.881770 0.378275 W\n0.559240 0.720004 0.474074 O\n0.662060 0.175862 0.335443 O\n0.307030 0.676013 0.398551 O\n0.775926 0.003319 0.690760 O\n0.211390 0.063648 0.758039 O\n0.430114 0.086054 0.365865 O\n0.074138 0.587940 0.423364 O\n0.826636 0.335443 0.175862 O\n0.914557 0.423364 0.587940 O\n0.186352 0.038610 0.283076 O\n0.246681 0.474074 0.720004 O\n0.491961 0.283076 0.038610 O\n0.966924 0.758039 0.063648 O\n0.163946 0.819886 0.132032 O\n0.117968 0.365865 0.086054 O\n0.884135 0.132032 0.819886 O\n0.851449 0.631594 0.942970 O\n0.618406 0.398551 0.676013 O\n0.529996 0.690760 0.003319 O\n0.573987 0.942970 0.631594 O\n",
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"elements": [
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"W",
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],
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"density": 5.610357050022001,
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"formula_full": "Mg2 P4 W4 O20",
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"spacegroup": 43
}
]
}