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{
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"results": [
{
"id": "mp-766400",
"created_at": "2022-09-04T14:47:28.243837Z",
"structure_string": "Li6 Cr8 P12 O48\n1.0\n-5.826468 5.860435 5.881637\n5.826468 -5.860435 5.881637\n5.826468 5.860435 -5.881637\nLi Cr P O\n6 8 12 48\ndirect\n0.250000 0.127399 0.877399 Li\n0.250000 0.625253 0.375253 Li\n0.627980 0.250000 0.877980 Li\n0.750000 0.372601 0.622601 Li\n0.750000 0.874747 0.124747 Li\n0.872020 0.750000 0.622020 Li\n0.000870 0.001627 0.003356 Cr\n0.001001 0.001413 0.498346 Cr\n0.498999 0.997345 0.000412 Cr\n0.498271 0.997514 0.496644 Cr\n0.003067 0.502655 0.001654 Cr\n0.001729 0.498373 0.499243 Cr\n0.499130 0.502486 0.000757 Cr\n0.496933 0.498587 0.499588 Cr\n0.375637 0.125637 0.250000 P\n0.750000 0.125867 0.375867 P\n0.250000 0.374133 0.124133 P\n0.375805 0.250000 0.625805 P\n0.872252 0.250000 0.122252 P\n0.124363 0.374363 0.750000 P\n0.873519 0.623519 0.250000 P\n0.124195 0.750000 0.874195 P\n0.627748 0.750000 0.377748 P\n0.750000 0.624692 0.874692 P\n0.250000 0.875308 0.625308 P\n0.626481 0.876481 0.750000 P\n0.203496 0.108546 0.499582 O\n0.406655 0.109867 0.107001 O\n0.388926 0.006659 0.802011 O\n0.201544 0.092712 0.202424 O\n0.886543 0.085424 0.383573 O\n0.904311 0.107596 0.110096 O\n0.113102 0.197763 0.996872 O\n0.298148 0.414576 0.301119 O\n0.386898 0.383770 0.084661 O\n0.413861 0.296391 0.803268 O\n0.799109 0.302237 0.415339 O\n0.609526 0.003617 0.704651 O\n0.093345 0.200346 0.703212 O\n0.696337 0.200696 0.083835 O\n0.002499 0.392404 0.296715 O\n0.883139 0.299304 0.995641 O\n0.502866 0.299654 0.392999 O\n0.700891 0.116230 0.503128 O\n0.201852 0.502970 0.116427 O\n0.391037 0.391454 0.594950 O\n0.298456 0.500880 0.891168 O\n0.997134 0.390133 0.796788 O\n0.890474 0.595124 0.394090 O\n0.506877 0.203609 0.617470 O\n0.497501 0.794216 0.389904 O\n0.109712 0.407288 0.608832 O\n0.004067 0.611186 0.205865 O\n0.701034 0.496383 0.105910 O\n0.616861 0.612502 0.416165 O\n0.795351 0.493341 0.882266 O\n0.296591 0.883800 0.496463 O\n0.495933 0.701797 0.607119 O\n0.108963 0.703913 0.000418 O\n0.993123 0.610594 0.696732 O\n0.296504 0.796087 0.905050 O\n0.905321 0.798203 0.294135 O\n0.390288 0.999120 0.297576 O\n0.203409 0.699872 0.587209 O\n0.595689 0.705784 0.203285 O\n0.612664 0.616200 0.912791 O\n0.704649 0.586915 0.697989 O\n0.887336 0.800128 0.003537 O\n0.086139 0.889406 0.882530 O\n0.111074 0.913085 0.617734 O\n0.798966 0.904876 0.795349 O\n0.613457 0.997030 0.198881 O\n0.594679 0.888814 0.892881 O\n0.803663 0.887498 0.504359 O\n",
"nsites": 74,
"nelements": 4,
"elements": [
"Li",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P",
"density": 3.3016749565157295,
"density_atomic": 0.0921166831690668,
"volume": 803.3289677200355,
"volume_molar": 6.537513675939932,
"formula_full": "Li6 Cr8 P12 O48",
"formula_reduced": "Li3Cr4(PO4)6",
"formula_anonymous": "A3B4C6D24",
"energy": -574.06426441,
"energy_per_atom": -7.757625194729729,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -525.09626441,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.922000Z",
"spacegroup": 24
},
{
"id": "mp-556709",
"created_at": "2022-09-04T14:42:00.728194Z",
"structure_string": "Na16 Zr8 Si8 O40\n1.0\n5.538565 0.000000 0.000000\n0.000000 13.859164 0.000000\n0.000000 6.871513 12.234765\nNa Zr Si O\n16 8 8 40\ndirect\n0.265406 0.853376 0.077013 Na\n0.262749 0.328656 0.818607 Na\n0.237251 0.828656 0.818607 Na\n0.765936 0.931670 0.421599 Na\n0.762749 0.171344 0.181393 Na\n0.242113 0.352265 0.318100 Na\n0.257887 0.852265 0.318100 Na\n0.234594 0.353376 0.077013 Na\n0.734064 0.431670 0.421599 Na\n0.234064 0.068330 0.578401 Na\n0.742113 0.147735 0.681900 Na\n0.734594 0.146624 0.922987 Na\n0.265936 0.568330 0.578401 Na\n0.737251 0.671344 0.181393 Na\n0.765406 0.646624 0.922987 Na\n0.757887 0.647735 0.681900 Na\n0.263506 0.127613 0.065175 Zr\n0.736494 0.872387 0.934825 Zr\n0.739219 0.692939 0.435048 Zr\n0.239219 0.807061 0.564952 Zr\n0.236494 0.627613 0.065175 Zr\n0.260781 0.307061 0.564952 Zr\n0.760781 0.192939 0.435048 Zr\n0.763506 0.372387 0.934825 Zr\n0.278701 0.567044 0.840924 Si\n0.224550 0.591413 0.340652 Si\n0.724550 0.908587 0.659348 Si\n0.721299 0.432956 0.159076 Si\n0.275450 0.091413 0.340652 Si\n0.775450 0.408587 0.659348 Si\n0.778701 0.932956 0.159076 Si\n0.221299 0.067044 0.840924 Si\n0.749702 0.348854 0.291215 O\n0.750298 0.848854 0.291215 O\n0.564217 0.110296 0.358781 O\n0.711128 0.541606 0.589357 O\n0.400618 0.960759 0.875626 O\n0.199559 0.629158 0.910819 O\n0.788872 0.041606 0.589357 O\n0.288872 0.458394 0.410643 O\n0.597441 0.341806 0.618347 O\n0.900618 0.539241 0.124374 O\n0.599382 0.039241 0.124374 O\n0.973246 0.229789 0.002474 O\n0.250298 0.651146 0.708785 O\n0.300441 0.129158 0.910819 O\n0.566517 0.529332 0.865096 O\n0.026754 0.770211 0.997526 O\n0.099382 0.460759 0.875626 O\n0.433483 0.470668 0.134904 O\n0.526754 0.729789 0.002474 O\n0.965669 0.265280 0.507050 O\n0.211128 0.958394 0.410643 O\n0.249702 0.151146 0.708785 O\n0.435783 0.889704 0.641219 O\n0.402559 0.658194 0.381653 O\n0.034331 0.734720 0.492950 O\n0.800441 0.370842 0.089181 O\n0.097441 0.158194 0.381653 O\n0.223121 0.138738 0.209586 O\n0.699559 0.870842 0.089181 O\n0.066517 0.970668 0.134904 O\n0.534331 0.765280 0.507050 O\n0.902559 0.841806 0.618347 O\n0.465669 0.234720 0.492950 O\n0.064217 0.389704 0.641219 O\n0.776879 0.861262 0.790414 O\n0.935783 0.610296 0.358781 O\n0.473246 0.270211 0.997526 O\n0.723121 0.361262 0.790414 O\n0.933483 0.029332 0.865096 O\n0.276879 0.638738 0.209586 O\n",
"nsites": 72,
"nelements": 4,
"elements": [
"Na",
"Zr",
"Si",
"O"
],
"chemical_system": "Na-O-Si-Zr",
"density": 3.4696206255883575,
"density_atomic": 0.07666595917517657,
"volume": 939.139101298985,
"volume_molar": 7.855038696169981,
"formula_full": "Na16 Zr8 Si8 O40",
"formula_reduced": "Na2ZrSiO5",
"formula_anonymous": "ABC2D5",
"energy": -552.6165975600001,
"energy_per_atom": -7.675230521666667,
"energy_above_hull": null,
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"energy_uncorrected": -525.13659756,
"band_gap": 4.2483,
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"is_magnetic": false,
"total_magnetization": 7.3e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:35.607000Z",
"spacegroup": 14
},
{
"id": "mp-1042566",
"created_at": "2022-09-04T14:41:07.087759Z",
"structure_string": "Mg8 Co8 Sb16 O56\n1.0\n15.421057 0.000000 0.000000\n0.000000 7.032832 0.000000\n0.000000 2.976417 11.083419\nMg Co Sb O\n8 8 16 56\ndirect\n0.522654 0.959053 0.742586 Mg\n0.897782 0.707941 0.905341 Mg\n0.397782 0.292059 0.594659 Mg\n0.102218 0.292059 0.094659 Mg\n0.602218 0.707941 0.405341 Mg\n0.977346 0.959053 0.242586 Mg\n0.477346 0.040947 0.257414 Mg\n0.022654 0.040947 0.757414 Mg\n0.633249 0.315714 0.098316 Co\n0.133249 0.684286 0.401684 Co\n0.366751 0.684286 0.901684 Co\n0.866751 0.315714 0.598316 Co\n0.776368 0.005903 0.237789 Co\n0.276368 0.994097 0.262211 Co\n0.223632 0.994097 0.762211 Co\n0.723632 0.005903 0.737789 Co\n0.911197 0.190250 0.963951 Sb\n0.048552 0.563331 0.697396 Sb\n0.451448 0.563331 0.197396 Sb\n0.951448 0.436669 0.302604 Sb\n0.749165 0.504013 0.778168 Sb\n0.249165 0.495987 0.721832 Sb\n0.250835 0.495987 0.221832 Sb\n0.750835 0.504013 0.278168 Sb\n0.548552 0.436669 0.802604 Sb\n0.115146 0.156475 0.465915 Sb\n0.615146 0.843525 0.034085 Sb\n0.884854 0.843525 0.534085 Sb\n0.411197 0.809750 0.536049 Sb\n0.588803 0.190250 0.463951 Sb\n0.088803 0.809750 0.036049 Sb\n0.384854 0.156475 0.965915 Sb\n0.017363 0.317704 0.959684 O\n0.517363 0.682296 0.540316 O\n0.982637 0.682296 0.040316 O\n0.482637 0.317704 0.459684 O\n0.914947 0.009538 0.866225 O\n0.414947 0.990462 0.633775 O\n0.085053 0.990462 0.133775 O\n0.585053 0.009538 0.366225 O\n0.876002 0.038315 0.121020 O\n0.376002 0.961685 0.378980 O\n0.123998 0.961685 0.878980 O\n0.623998 0.038315 0.621020 O\n0.324778 0.397993 0.887928 O\n0.824778 0.602007 0.612072 O\n0.675222 0.602007 0.112072 O\n0.175222 0.397993 0.387928 O\n0.377988 0.053560 0.137276 O\n0.877988 0.946440 0.362724 O\n0.622012 0.946440 0.862724 O\n0.122012 0.053560 0.637276 O\n0.340289 0.964544 0.892910 O\n0.481552 0.666072 0.805998 O\n0.840289 0.035456 0.607090 O\n0.159711 0.964544 0.392910 O\n0.487604 0.253878 0.732028 O\n0.987604 0.746122 0.767972 O\n0.512396 0.746122 0.267972 O\n0.012396 0.253878 0.232028 O\n0.503861 0.251356 0.962972 O\n0.003861 0.748644 0.537028 O\n0.496139 0.748644 0.037028 O\n0.996139 0.251356 0.462972 O\n0.859392 0.552043 0.181876 O\n0.359392 0.447957 0.318124 O\n0.140608 0.447957 0.818124 O\n0.640608 0.552043 0.681876 O\n0.722394 0.260165 0.235254 O\n0.222394 0.739835 0.264746 O\n0.277606 0.739835 0.764746 O\n0.777606 0.260165 0.735254 O\n0.658383 0.426473 0.412144 O\n0.158383 0.573527 0.087856 O\n0.341617 0.573527 0.587856 O\n0.841617 0.426473 0.912144 O\n0.723355 0.751120 0.315879 O\n0.223355 0.248880 0.184121 O\n0.276645 0.248880 0.684121 O\n0.776645 0.751120 0.815879 O\n0.845873 0.410043 0.409961 O\n0.345873 0.589957 0.090039 O\n0.154127 0.589957 0.590039 O\n0.654127 0.410043 0.909961 O\n0.018448 0.666072 0.305998 O\n0.518448 0.333928 0.194002 O\n0.981552 0.333928 0.694002 O\n0.659711 0.035456 0.107090 O\n",
"nsites": 88,
"nelements": 4,
"elements": [
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"Co",
"Sb",
"O"
],
"chemical_system": "Co-Mg-O-Sb",
"density": 4.848886640284997,
"density_atomic": 0.07320901015588008,
"volume": 1202.037834040185,
"volume_molar": 8.22595572208581,
"formula_full": "Mg8 Co8 Sb16 O56",
"formula_reduced": "MgCoSb2O7",
"formula_anonymous": "ABC2D7",
"energy": -576.7153421400001,
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"updated_at": "2021-11-28T01:35:18.186000Z",
"spacegroup": 14
},
{
"id": "mp-758962",
"created_at": "2022-09-04T14:42:53.472761Z",
"structure_string": "Li12 Fe8 P12 O48\n1.0\n6.699507 7.127741 0.000000\n-6.699507 7.127741 0.000000\n0.000000 0.807508 9.747436\nLi Fe P O\n12 8 12 48\ndirect\n0.729333 0.539946 0.899349 Li\n0.984161 0.324153 0.029292 Li\n0.460054 0.270667 0.100651 Li\n0.675847 0.015839 0.970708 Li\n0.467990 0.015317 0.243167 Li\n0.984683 0.532010 0.756833 Li\n0.768336 0.842740 0.232834 Li\n0.157260 0.231664 0.767166 Li\n0.337545 0.999538 0.507424 Li\n0.500046 0.745225 0.402938 Li\n0.000462 0.662455 0.492576 Li\n0.254775 0.499954 0.597062 Li\n0.750121 0.471831 0.278942 Fe\n0.479062 0.755158 0.776504 Fe\n0.029662 0.970338 0.000000 Fe\n0.252275 0.747725 0.000000 Fe\n0.750800 0.249200 0.500000 Fe\n0.528169 0.249879 0.721058 Fe\n0.973255 0.026745 0.500000 Fe\n0.244842 0.520938 0.223496 Fe\n0.327546 0.450092 0.900963 P\n0.848074 0.173322 0.801827 P\n0.348483 0.049581 0.922405 P\n0.826678 0.151926 0.198173 P\n0.450394 0.320961 0.402949 P\n0.049050 0.346657 0.426875 P\n0.950419 0.651517 0.077595 P\n0.549908 0.672454 0.099037 P\n0.179821 0.839723 0.300587 P\n0.653343 0.950950 0.573125 P\n0.160277 0.820179 0.699413 P\n0.679039 0.549606 0.597051 P\n0.211304 0.405352 0.818866 O\n0.470003 0.382352 0.856948 O\n0.933183 0.287526 0.846166 O\n0.690600 0.189946 0.838248 O\n0.310856 0.412676 0.058121 O\n0.390527 0.117399 0.779030 O\n0.890535 0.031124 0.871722 O\n0.810054 0.309400 0.161752 O\n0.190759 0.085127 0.937223 O\n0.381733 0.461519 0.353313 O\n0.110087 0.391828 0.282320 O\n0.433437 0.094808 0.036221 O\n0.968876 0.109465 0.128278 O\n0.125039 0.826803 0.859376 O\n0.379152 0.889105 0.919132 O\n0.887323 0.377203 0.419759 O\n0.611362 0.332983 0.373650 O\n0.712474 0.066817 0.153834 O\n0.412267 0.200144 0.324386 O\n0.091397 0.434766 0.539478 O\n0.834819 0.124142 0.357896 O\n0.667017 0.388638 0.626350 O\n0.914873 0.809241 0.062777 O\n0.587324 0.689144 0.941879 O\n0.411782 0.310389 0.560327 O\n0.084130 0.191754 0.455085 O\n0.333971 0.610054 0.871465 O\n0.173197 0.874961 0.140624 O\n0.905192 0.566563 0.963779 O\n0.594648 0.788696 0.181134 O\n0.307717 0.901315 0.348242 O\n0.110895 0.620848 0.080868 O\n0.389946 0.666029 0.128535 O\n0.622797 0.112677 0.580241 O\n0.875858 0.165181 0.642104 O\n0.040683 0.893755 0.367771 O\n0.565234 0.908603 0.460522 O\n0.617648 0.529997 0.143052 O\n0.882601 0.609473 0.220970 O\n0.808246 0.915870 0.544915 O\n0.182666 0.681705 0.335408 O\n0.106245 0.959317 0.632229 O\n0.608172 0.889913 0.717680 O\n0.689611 0.588218 0.439673 O\n0.318295 0.817334 0.664592 O\n0.098685 0.692283 0.651758 O\n0.538481 0.618267 0.646687 O\n0.799856 0.587733 0.675614 O\n",
"nsites": 80,
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"elements": [
"Li",
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"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 2.9783420369729168,
"density_atomic": 0.08593594227986597,
"volume": 930.9259650573855,
"volume_molar": 7.007708998393022,
"formula_full": "Li12 Fe8 P12 O48",
"formula_reduced": "Li3Fe2(PO4)3",
"formula_anonymous": "A2B3C3D12",
"energy": -576.17396316,
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"updated_at": "2021-11-28T01:35:57.211000Z",
"spacegroup": 5
},
{
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{
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