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{
"count": 146323,
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"results": [
{
"id": "mp-1177587",
"created_at": "2022-09-04T14:42:56.041719Z",
"structure_string": "Li12 Mn4 V4 P12 O48\n1.0\n8.681695 0.000000 0.000000\n4.180955 7.712047 0.000000\n4.195819 2.706900 14.248526\nLi Mn V P O\n12 4 4 12 48\ndirect\n0.295327 0.438803 0.318046 Li\n0.186135 0.159316 0.552734 Li\n0.687069 0.663198 0.050964 Li\n0.175556 0.069734 0.179612 Li\n0.211665 0.851135 0.827573 Li\n0.712889 0.349380 0.328855 Li\n0.270164 0.579128 0.633598 Li\n0.772633 0.079737 0.130418 Li\n0.811609 0.925533 0.821308 Li\n0.687378 0.557066 0.688096 Li\n0.360024 0.201430 0.976894 Li\n0.863887 0.698651 0.481075 Li\n0.288525 0.779077 0.075005 Mn\n0.030054 0.533882 0.821533 Mn\n0.787171 0.277972 0.572901 Mn\n0.476044 0.961536 0.676117 Mn\n0.533113 0.038106 0.320275 V\n0.218022 0.717100 0.425346 V\n0.972197 0.461738 0.179299 V\n0.714830 0.216609 0.923512 V\n0.011987 0.217127 0.735128 P\n0.513877 0.721504 0.236127 P\n0.019101 0.237833 0.020931 P\n0.096566 0.164074 0.375475 P\n0.404345 0.326237 0.125475 P\n0.476461 0.280320 0.475049 P\n0.521402 0.738909 0.524885 P\n0.593989 0.662918 0.876834 P\n0.908090 0.819440 0.628635 P\n0.977389 0.778975 0.979122 P\n0.487504 0.269234 0.760057 P\n0.987277 0.776714 0.262329 P\n0.022172 0.602195 0.239212 O\n0.460489 0.785587 0.136287 O\n0.393966 0.640534 0.308612 O\n0.004014 0.215380 0.473117 O\n0.299387 0.450468 0.465265 O\n0.360585 0.513012 0.129897 O\n0.234436 0.294402 0.147045 O\n0.265240 0.197655 0.352574 O\n0.202382 0.067483 0.727833 O\n0.703438 0.568599 0.228586 O\n0.201464 0.078527 0.035385 O\n0.144607 0.971962 0.374782 O\n0.107754 0.859160 0.188556 O\n0.020900 0.748627 0.536899 O\n0.125623 0.812785 0.996242 O\n0.425266 0.147200 0.553211 O\n0.505065 0.265295 0.030399 O\n0.029383 0.704900 0.706018 O\n0.048020 0.726517 0.880056 O\n0.624875 0.314897 0.491627 O\n0.931042 0.639889 0.056208 O\n0.029958 0.724482 0.363114 O\n0.531818 0.202843 0.198118 O\n0.551693 0.222063 0.376738 O\n0.523390 0.092891 0.737705 O\n0.494974 0.883763 0.263675 O\n0.430507 0.818787 0.617400 O\n0.932521 0.312984 0.113333 O\n0.958908 0.277478 0.634921 O\n0.466709 0.777443 0.805090 O\n0.069129 0.369962 0.938329 O\n0.383961 0.687222 0.511131 O\n0.970960 0.279586 0.301694 O\n0.565911 0.872358 0.442267 O\n0.882646 0.187951 0.004525 O\n0.894340 0.133238 0.808100 O\n0.505079 0.706800 0.976740 O\n0.797886 0.947869 0.974093 O\n0.864352 0.008836 0.626401 O\n0.297376 0.414148 0.756583 O\n0.797238 0.922471 0.258178 O\n0.741121 0.785476 0.647196 O\n0.761128 0.699268 0.855386 O\n0.701971 0.579182 0.540459 O\n0.649858 0.470113 0.871623 O\n0.607128 0.352338 0.686648 O\n0.533509 0.215539 0.860364 O\n0.986534 0.386250 0.758163 O\n",
"nsites": 80,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.8658791393076237,
"density_atomic": 0.0838582617135429,
"volume": 953.9906786200435,
"volume_molar": 7.181332687972281,
"formula_full": "Li12 Mn4 V4 P12 O48",
"formula_reduced": "Li3MnV(PO4)3",
"formula_anonymous": "ABC3D3E12",
"energy": -607.86515244,
"energy_per_atom": -7.5983144055,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -561.41715244,
"band_gap": 0.4357000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 23.9999998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.813000Z",
"spacegroup": 1
},
{
"id": "mp-1211416",
"created_at": "2022-09-04T14:42:18.330590Z",
"structure_string": "K2 Mg6 Cu2 As6 O24\n1.0\n6.470215 6.166933 0.000000\n-6.470215 6.166933 0.000000\n0.000000 2.731352 6.324170\nK Mg Cu As O\n2 6 2 6 24\ndirect\n0.515311 0.484689 0.250000 K\n0.484689 0.515311 0.750000 K\n0.242445 0.757555 0.250000 Mg\n0.757555 0.242445 0.750000 Mg\n0.562000 0.878065 0.365753 Mg\n0.438000 0.121935 0.634247 Mg\n0.121935 0.438000 0.134247 Mg\n0.878065 0.562000 0.865753 Mg\n0.997536 0.002464 0.250000 Cu\n0.002464 0.997536 0.750000 Cu\n0.784801 0.215199 0.250000 As\n0.215199 0.784801 0.750000 As\n0.377760 0.147623 0.129170 As\n0.622240 0.852377 0.870830 As\n0.852377 0.622240 0.370830 As\n0.147623 0.377760 0.629170 As\n0.491094 0.829394 0.117538 O\n0.508906 0.170606 0.882462 O\n0.170606 0.508906 0.382462 O\n0.829394 0.491094 0.617538 O\n0.673228 0.249064 0.476955 O\n0.326772 0.750936 0.523045 O\n0.750936 0.326772 0.023045 O\n0.249064 0.673228 0.976955 O\n0.675745 0.686252 0.374494 O\n0.324255 0.313748 0.625506 O\n0.313748 0.324255 0.125506 O\n0.686252 0.675745 0.874494 O\n0.776097 0.016502 0.260950 O\n0.223903 0.983498 0.739050 O\n0.983498 0.223903 0.239050 O\n0.016502 0.776097 0.760950 O\n0.224016 0.999555 0.186213 O\n0.775984 0.000445 0.813787 O\n0.000445 0.775984 0.313787 O\n0.999555 0.224016 0.686213 O\n0.471283 0.093470 0.320631 O\n0.528717 0.906530 0.679369 O\n0.906530 0.528717 0.179369 O\n0.093470 0.471283 0.820631 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"K",
"Mg",
"Cu",
"As",
"O"
],
"chemical_system": "As-Cu-K-Mg-O",
"density": 3.897729926926983,
"density_atomic": 0.0792571620783755,
"volume": 504.6862510727417,
"volume_molar": 7.598229108991879,
"formula_full": "K2 Mg6 Cu2 As6 O24",
"formula_reduced": "KMg3Cu(AsO4)3",
"formula_anonymous": "ABC3D3E12",
"energy": -254.67744089,
"energy_per_atom": -6.36693602225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -238.18944089,
"band_gap": 0.7082000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0019921,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.872000Z",
"spacegroup": 15
},
{
"id": "mp-690382",
"created_at": "2022-09-04T14:42:26.813141Z",
"structure_string": "Na18 Mg6 Zr6 P18 O72\n1.0\n9.069827 0.000000 0.000000\n-4.520653 7.874029 0.000000\n-0.035455 -0.079427 22.205031\nNa Mg Zr P O\n18 6 6 18 72\ndirect\n0.665094 0.324885 0.672655 Na\n0.119500 0.222198 0.871137 Na\n0.339095 0.683207 0.832320 Na\n0.545256 0.085923 0.793950 Na\n0.343653 0.667644 0.339039 Na\n0.081688 0.542565 0.708393 Na\n0.038047 0.724972 0.917752 Na\n0.783850 0.568304 0.534838 Na\n0.006736 0.017791 0.498653 Na\n0.210994 0.416144 0.459925 Na\n0.749781 0.883793 0.372394 Na\n0.709380 0.038748 0.584118 Na\n0.904328 0.431651 0.296597 Na\n0.466079 0.915468 0.204292 Na\n0.686029 0.323425 0.165135 Na\n0.895874 0.778782 0.120636 Na\n0.401915 0.185910 0.036388 Na\n0.364780 0.355292 0.256525 Na\n0.129511 0.866830 0.781527 Mg\n0.868999 0.128701 0.715966 Mg\n0.867492 0.137617 0.214098 Mg\n0.795185 0.198106 0.448995 Mg\n0.531916 0.460851 0.383646 Mg\n0.197602 0.801271 0.048897 Mg\n0.805809 0.180214 0.954846 Zr\n0.533888 0.479362 0.880415 Zr\n0.470558 0.523028 0.621522 Zr\n0.199499 0.815338 0.548522 Zr\n0.141422 0.868945 0.287223 Zr\n0.463782 0.531285 0.116375 Zr\n0.802868 0.901946 0.844000 P\n0.289258 0.288000 0.750613 P\n0.233537 0.479018 0.982632 P\n0.433818 0.866599 0.683226 P\n0.371167 0.037316 0.915115 P\n0.473560 0.238409 0.513418 P\n0.870572 0.429930 0.819097 P\n0.955773 0.622619 0.416525 P\n0.902232 0.804206 0.651713 P\n0.093607 0.206555 0.348633 P\n0.033015 0.372186 0.582728 P\n0.126902 0.568889 0.181108 P\n0.534819 0.763642 0.484976 P\n0.621888 0.965885 0.085956 P\n0.571556 0.137492 0.317789 P\n0.766743 0.525621 0.015511 P\n0.701660 0.706495 0.250158 P\n0.196914 0.097339 0.152337 P\n0.714792 0.454038 0.834143 O\n0.671132 0.545075 0.960675 O\n0.839178 0.010756 0.902953 O\n0.386974 0.215001 0.902869 O\n0.772660 0.992095 0.791659 O\n0.633774 0.731030 0.855246 O\n0.418541 0.373204 0.697472 O\n0.366321 0.412695 0.806273 O\n0.336438 0.503651 0.923412 O\n0.459963 0.712795 0.668932 O\n0.603230 0.034901 0.687910 O\n0.556351 0.073729 0.925187 O\n0.118924 0.277966 0.737637 O\n0.379447 0.786673 0.500596 O\n0.067117 0.306647 0.974061 O\n0.205704 0.627467 0.992740 O\n0.326893 0.824112 0.740795 O\n0.337061 0.880241 0.627061 O\n0.299251 0.918165 0.859942 O\n0.511403 0.343424 0.574000 O\n0.051620 0.549280 0.568528 O\n0.259464 0.961202 0.970703 O\n0.446347 0.334628 0.462536 O\n0.302400 0.067785 0.523149 O\n0.035415 0.602704 0.812370 O\n0.891777 0.335284 0.873432 O\n0.078444 0.700314 0.361021 O\n0.280431 0.120093 0.765279 O\n0.824502 0.325117 0.760068 O\n0.036547 0.747690 0.471287 O\n0.997661 0.775888 0.702740 O\n0.998477 0.831596 0.589356 O\n0.118921 0.050123 0.333037 O\n0.268994 0.369395 0.356800 O\n0.956166 0.875735 0.837094 O\n0.216884 0.406276 0.595584 O\n0.784263 0.610935 0.404315 O\n0.045045 0.119054 0.166078 O\n0.732243 0.629245 0.640502 O\n0.866107 0.950370 0.658716 O\n0.991828 0.159210 0.408070 O\n0.002388 0.231158 0.294885 O\n0.964405 0.250955 0.528019 O\n0.178439 0.677521 0.241398 O\n0.720352 0.879674 0.236858 O\n0.916359 0.299749 0.638033 O\n0.110239 0.668884 0.129649 O\n0.963168 0.401610 0.193555 O\n0.700796 0.935714 0.479429 O\n0.556093 0.666787 0.539247 O\n0.742197 0.035572 0.031175 O\n0.944216 0.451463 0.428906 O\n0.490734 0.660033 0.425998 O\n0.699278 0.079756 0.141456 O\n0.665168 0.109869 0.370142 O\n0.670385 0.171510 0.257508 O\n0.778330 0.363770 0.004581 O\n0.936709 0.687068 0.023653 O\n0.625167 0.210046 0.505538 O\n0.881443 0.726052 0.261935 O\n0.447202 0.944720 0.073535 O\n0.398405 0.962938 0.308130 O\n0.537047 0.285493 0.327514 O\n0.654548 0.488906 0.073800 O\n0.627941 0.581419 0.194475 O\n0.581054 0.624750 0.304213 O\n0.367061 0.273779 0.145557 O\n0.233661 0.015271 0.208950 O\n0.601960 0.785452 0.099565 O\n0.170632 0.993230 0.095449 O\n0.330801 0.453087 0.036649 O\n0.284167 0.541113 0.170322 O\n",
"nsites": 120,
"nelements": 5,
"elements": [
"Na",
"Mg",
"Zr",
"P",
"O"
],
"chemical_system": "Mg-Na-O-P-Zr",
"density": 2.949222257364641,
"density_atomic": 0.07567176242289952,
"volume": 1585.7962885728432,
"volume_molar": 7.9582403887260345,
"formula_full": "Na18 Mg6 Zr6 P18 O72",
"formula_reduced": "Na3MgZr(PO4)3",
"formula_anonymous": "ABC3D3E12",
"energy": -890.11800584,
"energy_per_atom": -7.417650048666667,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -840.65400584,
"band_gap": 3.9455,
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"is_magnetic": false,
"total_magnetization": 0.0038556,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.568000Z",
"spacegroup": 1
},
{
"id": "mp-1177564",
"created_at": "2022-09-04T14:42:08.227420Z",
"structure_string": "Li12 Mn4 V4 P12 O48\n1.0\n8.569279 0.000000 0.000000\n-0.105954 8.725068 0.000000\n-0.293601 -0.053177 12.136968\nLi Mn V P O\n12 4 4 12 48\ndirect\n0.935224 0.486606 0.654497 Li\n0.919212 0.914381 0.308160 Li\n0.818910 0.220611 0.822255 Li\n0.680528 0.719473 0.677362 Li\n0.579097 0.414361 0.190783 Li\n0.565146 0.987464 0.845955 Li\n0.434985 0.014565 0.153223 Li\n0.420449 0.584695 0.808248 Li\n0.318774 0.280397 0.322243 Li\n0.180623 0.779214 0.177189 Li\n0.081531 0.084750 0.691721 Li\n0.064556 0.512577 0.345352 Li\n0.746128 0.472800 0.393443 Mn\n0.254087 0.527463 0.605532 Mn\n0.246477 0.463364 0.109899 Mn\n0.247538 0.029517 0.894338 Mn\n0.756358 0.973061 0.104383 V\n0.754919 0.535193 0.891610 V\n0.744694 0.036332 0.609238 V\n0.254883 0.963813 0.390262 V\n0.956534 0.751118 0.510001 P\n0.885576 0.618242 0.152277 P\n0.885281 0.890406 0.853020 P\n0.614963 0.118483 0.348581 P\n0.615886 0.389516 0.646742 P\n0.542665 0.251231 0.990929 P\n0.456965 0.749872 0.009192 P\n0.381889 0.611158 0.351449 P\n0.385165 0.880828 0.649294 P\n0.116403 0.109844 0.148237 P\n0.115769 0.381488 0.852037 P\n0.044174 0.248587 0.490152 P\n0.948629 0.108955 0.103275 O\n0.951689 0.130082 0.556613 O\n0.949999 0.331629 0.399651 O\n0.943685 0.419023 0.813695 O\n0.896606 0.638434 0.416303 O\n0.873621 0.796043 0.169199 O\n0.861132 0.579924 0.029943 O\n0.871513 0.006827 0.754140 O\n0.826146 0.730495 0.812302 O\n0.813096 0.824078 0.564805 O\n0.768219 0.527508 0.221661 O\n0.764724 0.950789 0.937203 O\n0.738401 0.451945 0.564518 O\n0.729330 0.030564 0.276216 O\n0.687569 0.322025 0.933688 O\n0.673541 0.230141 0.687687 O\n0.640790 0.079588 0.469969 O\n0.628126 0.505611 0.747077 O\n0.622818 0.297822 0.332958 O\n0.600645 0.138905 0.081754 O\n0.554125 0.836280 0.099187 O\n0.557904 0.919348 0.688191 O\n0.548343 0.612732 0.396360 O\n0.548453 0.631919 0.943395 O\n0.454486 0.372369 0.054417 O\n0.448832 0.386138 0.601683 O\n0.442070 0.079832 0.311034 O\n0.446397 0.166647 0.898506 O\n0.397771 0.862526 0.916691 O\n0.377560 0.701165 0.665997 O\n0.370982 0.493613 0.250224 O\n0.362087 0.918110 0.527288 O\n0.325542 0.770448 0.310508 O\n0.312509 0.677550 0.064892 O\n0.270063 0.969032 0.719079 O\n0.259978 0.547879 0.433176 O\n0.237706 0.048547 0.067188 O\n0.230666 0.470724 0.780771 O\n0.188200 0.175574 0.436279 O\n0.171847 0.271377 0.189445 O\n0.125622 0.994717 0.248393 O\n0.137290 0.418327 0.974962 O\n0.123577 0.202131 0.834062 O\n0.103545 0.361641 0.584070 O\n0.055963 0.582910 0.191628 O\n0.051161 0.667389 0.600536 O\n0.048652 0.870140 0.444206 O\n0.053002 0.889142 0.897574 O\n",
"nsites": 80,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 3.012858201690921,
"density_atomic": 0.08815900437595937,
"volume": 907.4512645223986,
"volume_molar": 6.830999059742348,
"formula_full": "Li12 Mn4 V4 P12 O48",
"formula_reduced": "Li3MnV(PO4)3",
"formula_anonymous": "ABC3D3E12",
"energy": -609.44905296,
"energy_per_atom": -7.618113162,
"energy_above_hull": null,
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"energy_uncorrected": -563.00105296,
"band_gap": 0.5853000000000002,
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"total_magnetization": 24.0037822,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.936000Z",
"spacegroup": 1
},
{
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"structure_string": "Rb4 Al12 Cd4 Si12 O48\n1.0\n12.297910 0.000000 0.000000\n0.045171 12.324850 0.000000\n0.082374 0.137072 12.389248\nRb Al Cd Si O\n4 12 4 12 48\ndirect\n0.531371 0.031573 0.507202 Rb\n0.028385 0.471483 0.553561 Rb\n0.476967 0.487877 0.024611 Rb\n0.711872 0.668441 0.729190 Rb\n0.625045 0.997012 0.186817 Al\n0.002178 0.360944 0.814439 Al\n0.193615 0.616405 0.010939 Al\n0.985469 0.614712 0.192242 Al\n0.806133 0.622319 0.990944 Al\n0.010040 0.625016 0.813074 Al\n0.358696 0.831642 0.002073 Al\n0.631904 0.826899 0.996416 Al\n0.996730 0.826827 0.367073 Al\n0.005555 0.835969 0.637673 Al\n0.817586 0.005541 0.631686 Al\n0.368771 0.003002 0.811130 Al\n0.189867 0.788818 0.183349 Cd\n0.814816 0.797629 0.196008 Cd\n0.183598 0.795644 0.802272 Cd\n0.850787 0.847472 0.860417 Cd\n0.369249 0.003663 0.189229 Si\n0.183410 0.999440 0.366487 Si\n0.807618 0.001937 0.375228 Si\n0.628736 0.011254 0.812387 Si\n0.375020 0.183344 0.002206 Si\n0.620865 0.186519 0.996778 Si\n0.994394 0.180123 0.369931 Si\n0.010459 0.189733 0.613575 Si\n0.183836 0.362295 0.002470 Si\n0.990717 0.357007 0.174721 Si\n0.817152 0.356606 0.988219 Si\n0.195621 0.011947 0.619055 Si\n0.293603 0.022894 0.297055 O\n0.695482 0.012165 0.308749 O\n0.310427 0.017944 0.681331 O\n0.506205 0.976349 0.783078 O\n0.777411 0.973319 0.499862 O\n0.694452 0.024365 0.699533 O\n0.368824 0.112239 0.114656 O\n0.099267 0.099905 0.353561 O\n0.636273 0.107350 0.099118 O\n0.127800 0.124860 0.619260 O\n0.881773 0.111557 0.366361 O\n0.353192 0.112885 0.896783 O\n0.908731 0.111370 0.635703 O\n0.635500 0.122574 0.882225 O\n0.496904 0.240887 0.997856 O\n0.004418 0.239611 0.487075 O\n0.290200 0.282637 0.015648 O\n0.994876 0.271461 0.276221 O\n0.700962 0.291146 0.998402 O\n0.015048 0.293939 0.689483 O\n0.103020 0.339005 0.106630 O\n0.883665 0.332481 0.101701 O\n0.121364 0.344908 0.891056 O\n0.886879 0.317004 0.886358 O\n0.238731 0.482870 0.013839 O\n0.984579 0.477647 0.224731 O\n0.783268 0.484856 0.977752 O\n0.985153 0.496321 0.770560 O\n0.106421 0.651258 0.121468 O\n0.868493 0.654449 0.114796 O\n0.128653 0.651670 0.889287 O\n0.892563 0.678712 0.884267 O\n0.301980 0.704989 0.032342 O\n0.688053 0.699169 0.969204 O\n0.979139 0.706037 0.299167 O\n0.034755 0.714090 0.703950 O\n0.994972 0.830985 0.502498 O\n0.495490 0.837863 0.994459 O\n0.309375 0.905584 0.120771 O\n0.682955 0.880069 0.120125 O\n0.125141 0.887818 0.318881 O\n0.882002 0.904289 0.318005 O\n0.121996 0.914871 0.676411 O\n0.883496 0.890651 0.696037 O\n0.305041 0.888520 0.879178 O\n0.688492 0.911101 0.886070 O\n0.489780 0.972058 0.229578 O\n0.220731 0.980572 0.491515 O\n",
"nsites": 80,
"nelements": 5,
"elements": [
"Rb",
"Al",
"Cd",
"Si",
"O"
],
"chemical_system": "Al-Cd-O-Rb-Si",
"density": 1.9633651138990376,
"density_atomic": 0.04260220596942351,
"volume": 1877.837031664925,
"volume_molar": 14.135748661283444,
"formula_full": "Rb4 Al12 Cd4 Si12 O48",
"formula_reduced": "RbAl3Cd(SiO4)3",
"formula_anonymous": "ABC3D3E12",
"energy": -597.20683749,
"energy_per_atom": -7.465085468625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -564.23083749,
"band_gap": 1.8815,
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"is_magnetic": false,
"total_magnetization": 0.0004006,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.580000Z",
"spacegroup": 1
},
{
"id": "mp-768587",
"created_at": "2022-09-04T14:47:30.898488Z",
"structure_string": "Li6 Mn2 V2 P6 O24\n1.0\n8.383381 0.000000 0.000000\n-4.153709 7.355985 0.000000\n-4.083071 -2.489816 7.819589\nLi Mn V P O\n6 2 2 6 24\ndirect\n0.935286 0.262063 0.858960 Li\n0.192814 0.924876 0.850139 Li\n0.198213 0.734391 0.408104 Li\n0.809352 0.073416 0.140834 Li\n0.026820 0.753186 0.081308 Li\n0.392226 0.324828 0.138436 Li\n0.303711 0.158762 0.443241 Mn\n0.709390 0.849057 0.566297 Mn\n0.319276 0.654374 0.961156 V\n0.689966 0.348056 0.037261 V\n0.801312 0.536365 0.752385 P\n0.214262 0.255972 0.752017 P\n0.510888 0.958539 0.757334 P\n0.499836 0.042647 0.244439 P\n0.783793 0.737122 0.253227 P\n0.197966 0.465262 0.248644 P\n0.735341 0.511062 0.890692 O\n0.890333 0.747364 0.755573 O\n0.997186 0.512507 0.822842 O\n0.305451 0.472507 0.831239 O\n0.361707 0.206847 0.893950 O\n0.694340 0.156109 0.900900 O\n0.619016 0.390436 0.580719 O\n0.993348 0.131029 0.734799 O\n0.209804 0.230641 0.587610 O\n0.359595 0.831698 0.823429 O\n0.627550 0.872832 0.737609 O\n0.368659 0.974134 0.589488 O\n0.624090 0.013380 0.408883 O\n0.376083 0.127221 0.253196 O\n0.646060 0.165833 0.176072 O\n0.803086 0.776516 0.426430 O\n0.006081 0.848797 0.268760 O\n0.382055 0.625329 0.417527 O\n0.310257 0.840350 0.094617 O\n0.638646 0.798012 0.120784 O\n0.677014 0.520725 0.179816 O\n0.016670 0.503212 0.190069 O\n0.119512 0.261419 0.259360 O\n0.261404 0.476847 0.107635 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.8348366629476827,
"density_atomic": 0.0829499302800487,
"volume": 482.2186090447009,
"volume_molar": 7.259970851896496,
"formula_full": "Li6 Mn2 V2 P6 O24",
"formula_reduced": "Li3MnV(PO4)3",
"formula_anonymous": "ABC3D3E12",
"energy": -304.1285534,
"energy_per_atom": -7.603213835,
"energy_above_hull": null,
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"energy_uncorrected": -280.9045534,
"band_gap": 0.2381999999999999,
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"is_magnetic": true,
"total_magnetization": 12.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:10.119000Z",
"spacegroup": 1
},
{
"id": "mp-1177562",
"created_at": "2022-09-04T14:46:38.546815Z",
"structure_string": "Li12 Mn4 V4 P12 O48\n1.0\n8.774105 0.000000 0.000000\n4.230083 7.690941 0.000000\n4.002798 2.367045 13.704845\nLi Mn V P O\n12 4 4 12 48\ndirect\n0.986134 0.857557 0.888307 Li\n0.002213 0.498821 0.001365 Li\n0.892597 0.765228 0.361262 Li\n0.746054 0.252376 0.751713 Li\n0.513399 0.643457 0.613570 Li\n0.607710 0.735471 0.137968 Li\n0.394891 0.264633 0.862943 Li\n0.483671 0.357811 0.388340 Li\n0.247630 0.751794 0.251168 Li\n0.497057 0.002130 0.498605 Li\n0.106579 0.236095 0.636345 Li\n0.015726 0.144669 0.112902 Li\n0.928431 0.424365 0.215368 Mn\n0.675259 0.176248 0.965289 Mn\n0.570982 0.077922 0.284891 Mn\n0.170738 0.678916 0.465331 Mn\n0.824322 0.318720 0.537207 V\n0.430808 0.923613 0.713088 V\n0.328187 0.816132 0.037208 V\n0.068492 0.576762 0.787385 V\n0.668883 0.868090 0.882478 P\n0.831526 0.633317 0.618011 P\n0.930669 0.816939 0.126443 P\n0.881283 0.084103 0.365002 P\n0.569746 0.679230 0.375952 P\n0.381776 0.582041 0.867008 P\n0.618990 0.416305 0.131691 P\n0.426006 0.323503 0.625615 P\n0.118412 0.917213 0.629891 P\n0.074464 0.173505 0.876130 P\n0.165386 0.370700 0.383116 P\n0.335841 0.130651 0.118021 P\n0.858868 0.719140 0.886567 O\n0.911180 0.617917 0.702998 O\n0.941942 0.670735 0.518673 O\n0.557032 0.833512 0.980825 O\n0.590856 0.885398 0.796419 O\n0.891746 0.185372 0.873020 O\n0.811244 0.887599 0.219738 O\n0.821195 0.453475 0.634687 O\n0.862755 0.932806 0.031414 O\n0.968638 0.107802 0.634220 O\n0.641277 0.782069 0.613440 O\n0.942053 0.633901 0.123357 O\n0.559091 0.860736 0.380104 O\n0.863256 0.160598 0.452021 O\n0.369184 0.658625 0.952723 O\n0.644887 0.556181 0.468880 O\n0.917911 0.199136 0.267202 O\n0.529954 0.394530 0.858704 O\n0.684514 0.611680 0.280807 O\n0.412488 0.698484 0.768722 O\n0.679842 0.048806 0.866630 O\n0.799175 0.427501 0.116721 O\n0.609274 0.307525 0.630499 O\n0.297045 0.929766 0.613918 O\n0.698027 0.076713 0.380876 O\n0.386188 0.691474 0.374493 O\n0.200380 0.573082 0.885030 O\n0.327407 0.949621 0.134497 O\n0.581261 0.306455 0.230897 O\n0.303620 0.396747 0.718746 O\n0.470789 0.606240 0.135793 O\n0.083689 0.806153 0.729230 O\n0.360088 0.439686 0.530891 O\n0.638036 0.336492 0.045659 O\n0.132906 0.838677 0.544657 O\n0.441688 0.139528 0.623401 O\n0.057660 0.357621 0.878768 O\n0.352949 0.222927 0.390858 O\n0.027236 0.896717 0.357256 O\n0.147074 0.053223 0.969405 O\n0.175343 0.552357 0.367390 O\n0.193839 0.103637 0.781617 O\n0.114074 0.802315 0.129340 O\n0.412867 0.117257 0.204032 O\n0.449872 0.166357 0.018945 O\n0.048598 0.339279 0.480851 O\n0.089230 0.387994 0.295918 O\n0.147912 0.277838 0.109544 O\n",
"nsites": 80,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.9562800142715826,
"density_atomic": 0.08650347453074927,
"volume": 924.8183432396406,
"volume_molar": 6.9617328005238885,
"formula_full": "Li12 Mn4 V4 P12 O48",
"formula_reduced": "Li3MnV(PO4)3",
"formula_anonymous": "ABC3D3E12",
"energy": -607.11600533,
"energy_per_atom": -7.588950066625,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -560.66800533,
"band_gap": 0.5353000000000003,
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"is_magnetic": true,
"total_magnetization": 24.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.549000Z",
"spacegroup": 1
}
]
}