HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=75",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=73",
"results": [
{
"id": "mp-768938",
"created_at": "2022-09-04T14:42:15.619794Z",
"structure_string": "Na5 Li1 Fe2 P2 C2 O14\n1.0\n0.062097 5.218053 0.006979\n0.032907 0.008631 6.637672\n8.957899 0.064305 0.045230\nNa Li Fe P C O\n5 1 2 2 2 14\ndirect\n0.762713 0.237196 0.082960 Na\n0.250792 0.499591 0.260729 Na\n0.749016 0.502898 0.737585 Na\n0.748356 0.996611 0.737328 Na\n0.235404 0.757738 0.918867 Na\n0.228712 0.023854 0.285274 Li\n0.218321 0.248899 0.645343 Fe\n0.783608 0.754819 0.349724 Fe\n0.708899 0.246599 0.411789 P\n0.300476 0.754918 0.580361 P\n0.720361 0.751402 0.058627 C\n0.272258 0.241072 0.946624 C\n0.282449 0.229234 0.091020 O\n0.946176 0.744637 0.118360 O\n0.518062 0.763901 0.145685 O\n0.821895 0.069062 0.317997 O\n0.769691 0.441009 0.319085 O\n0.175963 0.768084 0.425129 O\n0.410915 0.223557 0.428960 O\n0.598021 0.752476 0.561010 O\n0.830132 0.252410 0.567750 O\n0.215808 0.562077 0.669581 O\n0.220377 0.936623 0.681041 O\n0.481335 0.248212 0.864577 O\n0.051780 0.246268 0.879774 O\n0.698478 0.746849 0.914820 O\n",
"nsites": 26,
"nelements": 6,
"elements": [
"Na",
"Li",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Li-Na-O-P",
"density": 2.9093712549637942,
"density_atomic": 0.08380917935404177,
"volume": 310.22854776045637,
"volume_molar": 7.185538393784044,
"formula_full": "Na5 Li1 Fe2 P2 C2 O14",
"formula_reduced": "Na5LiFe2P2(CO7)2",
"formula_anonymous": "AB2C2D2E5F14",
"energy": -183.48910544,
"energy_per_atom": -7.057273286153846,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -169.35910544,
"band_gap": 3.5416,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0000032,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.351000Z",
"spacegroup": 1
},
{
"id": "mp-1176381",
"created_at": "2022-09-04T14:41:56.316558Z",
"structure_string": "Na4 Li2 Fe2 P2 C2 O14\n1.0\n5.160677 0.000000 0.000000\n0.016201 6.654914 0.000000\n0.316614 0.150549 8.853828\nNa Li Fe P C O\n4 2 2 2 2 14\ndirect\n0.759540 0.738718 0.082821 Na\n0.252490 0.000252 0.260451 Na\n0.750180 0.495155 0.739737 Na\n0.749550 0.003241 0.739707 Na\n0.235396 0.522509 0.280646 Li\n0.249284 0.263660 0.911520 Li\n0.786489 0.255216 0.348557 Fe\n0.221354 0.747669 0.649142 Fe\n0.713246 0.746548 0.410598 P\n0.299050 0.253613 0.587077 P\n0.713332 0.252923 0.051507 C\n0.270988 0.739913 0.948021 C\n0.282199 0.727383 0.093840 O\n0.957430 0.248646 0.084948 O\n0.534342 0.265578 0.159208 O\n0.777869 0.940711 0.315369 O\n0.825526 0.568414 0.316108 O\n0.411242 0.725008 0.429458 O\n0.172456 0.269150 0.431203 O\n0.833392 0.752104 0.567420 O\n0.599353 0.251984 0.562986 O\n0.219348 0.431846 0.692721 O\n0.213177 0.061210 0.678556 O\n0.481990 0.747263 0.862834 O\n0.048492 0.745612 0.882629 O\n0.642283 0.245677 0.912935 O\n",
"nsites": 26,
"nelements": 6,
"elements": [
"Na",
"Li",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Li-Na-O-P",
"density": 2.8806098415901107,
"density_atomic": 0.0855053209674483,
"volume": 304.0746436107543,
"volume_molar": 7.0430011745030665,
"formula_full": "Na4 Li2 Fe2 P2 C2 O14",
"formula_reduced": "Na2LiFePCO7",
"formula_anonymous": "ABCDE2F7",
"energy": -184.23904583,
"energy_per_atom": -7.086117147307693,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -170.10904583,
"band_gap": 3.7638,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9999891,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.279000Z",
"spacegroup": 1
},
{
"id": "mp-755968",
"created_at": "2022-09-04T14:39:45.275810Z",
"structure_string": "Na5 Li1 Fe2 P2 C2 O14\n1.0\n8.950191 0.187597 -0.001094\n0.134167 5.224011 -0.001337\n-0.000821 -0.001795 6.698875\nNa Li Fe P C O\n5 1 2 2 2 14\ndirect\n0.261597 0.254834 0.005600 Na\n0.261727 0.255055 0.494167 Na\n0.733111 0.738858 0.504663 Na\n0.733251 0.739130 0.995794 Na\n0.915937 0.232083 0.750065 Na\n0.104138 0.768622 0.250144 Li\n0.346175 0.776835 0.749956 Fe\n0.648094 0.218081 0.249982 Fe\n0.408695 0.711155 0.249900 P\n0.584635 0.280266 0.749928 P\n0.056413 0.718699 0.750064 C\n0.951599 0.294033 0.250059 C\n0.084592 0.382437 0.250029 O\n0.114102 0.943203 0.750012 O\n0.147072 0.515574 0.749912 O\n0.309197 0.790525 0.065904 O\n0.309050 0.790401 0.433807 O\n0.432727 0.152229 0.749905 O\n0.437275 0.414586 0.249726 O\n0.558580 0.577973 0.749980 O\n0.559709 0.842942 0.250158 O\n0.681207 0.199581 0.563498 O\n0.681278 0.199753 0.936352 O\n0.835853 0.457464 0.250094 O\n0.930679 0.049160 0.250045 O\n0.913308 0.696521 0.750256 O\n",
"nsites": 26,
"nelements": 6,
"elements": [
"Na",
"Li",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Li-Na-O-P",
"density": 2.883211678850502,
"density_atomic": 0.083055610141256,
"volume": 313.04327252284054,
"volume_molar": 7.250733273475332,
"formula_full": "Na5 Li1 Fe2 P2 C2 O14",
"formula_reduced": "Na5LiFe2P2(CO7)2",
"formula_anonymous": "AB2C2D2E5F14",
"energy": -183.50797178,
"energy_per_atom": -7.057998914615384,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -169.37797178,
"band_gap": 3.5831,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.000121,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.853000Z",
"spacegroup": 6
},
{
"id": "mp-772293",
"created_at": "2022-09-04T14:48:17.843762Z",
"structure_string": "Na2 Li10 Fe4 P4 C4 O28\n1.0\n6.530973 0.000000 0.000000\n-0.077372 8.580081 0.000000\n-0.007004 -0.706981 10.090432\nNa Li Fe P C O\n2 10 4 4 4 28\ndirect\n0.498737 0.742362 0.877618 Na\n0.501263 0.257638 0.122382 Na\n0.242043 0.913595 0.622717 Li\n0.223160 0.909081 0.128536 Li\n0.021666 0.725472 0.372098 Li\n0.477888 0.726549 0.372883 Li\n0.020366 0.722400 0.871411 Li\n0.522112 0.273451 0.627117 Li\n0.978334 0.274528 0.627902 Li\n0.979634 0.277600 0.128589 Li\n0.757957 0.086405 0.377283 Li\n0.776840 0.090919 0.871464 Li\n0.758040 0.661948 0.640181 Fe\n0.750478 0.659067 0.146078 Fe\n0.241960 0.338052 0.359819 Fe\n0.249522 0.340933 0.853922 Fe\n0.252706 0.589530 0.602162 P\n0.239728 0.588739 0.109440 P\n0.747294 0.410470 0.397838 P\n0.760272 0.411261 0.890560 P\n0.751333 0.964593 0.606543 C\n0.763878 0.959185 0.106403 C\n0.248667 0.035407 0.393457 C\n0.236122 0.040815 0.893597 C\n0.254742 0.889279 0.419212 O\n0.219486 0.897661 0.926419 O\n0.749566 0.922664 0.727881 O\n0.751923 0.924559 0.228826 O\n0.760338 0.857488 0.508667 O\n0.758987 0.846570 0.012540 O\n0.071595 0.693416 0.655969 O\n0.445876 0.687937 0.644612 O\n0.063748 0.697783 0.163649 O\n0.437249 0.681919 0.154220 O\n0.242463 0.570882 0.447532 O\n0.748364 0.574262 0.342600 O\n0.228169 0.568734 0.955173 O\n0.771936 0.573170 0.833922 O\n0.251636 0.425738 0.657400 O\n0.757537 0.429118 0.552468 O\n0.228064 0.426830 0.166078 O\n0.771831 0.431266 0.044827 O\n0.554124 0.312063 0.355388 O\n0.928405 0.306584 0.344031 O\n0.562751 0.318081 0.845780 O\n0.936252 0.302217 0.836351 O\n0.239662 0.142512 0.491333 O\n0.241013 0.153430 0.987460 O\n0.250434 0.077336 0.272119 O\n0.248077 0.075441 0.771174 O\n0.745258 0.110721 0.580788 O\n0.780514 0.102339 0.073581 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Li-Na-O-P",
"density": 2.815454572309751,
"density_atomic": 0.09196536682765484,
"volume": 565.4302461213379,
"volume_molar": 6.548270254046425,
"formula_full": "Na2 Li10 Fe4 P4 C4 O28",
"formula_reduced": "NaLi5Fe2P2(CO7)2",
"formula_anonymous": "AB2C2D2E5F14",
"energy": -373.62953672,
"energy_per_atom": -7.185183398461538,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -345.36953672,
"band_gap": 4.0042,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9998421,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:52.640000Z",
"spacegroup": 2
},
{
"id": "mp-776731",
"created_at": "2022-09-04T14:39:06.480521Z",
"structure_string": "Na6 Li6 Fe4 P4 C4 O28\n1.0\n6.712749 0.000000 0.000000\n-0.012708 8.722325 0.000000\n-0.103088 -0.425418 10.161391\nNa Li Fe P C O\n6 6 4 4 4 28\ndirect\n0.257201 0.086403 0.121204 Na\n0.997613 0.259399 0.370991 Na\n0.000617 0.257323 0.876824 Na\n0.501295 0.255593 0.871842 Na\n0.499850 0.745731 0.123777 Na\n0.502128 0.739725 0.627646 Na\n0.240175 0.092848 0.618395 Li\n0.464095 0.289539 0.388522 Li\n0.972901 0.720147 0.117110 Li\n0.983201 0.723147 0.624827 Li\n0.760340 0.900456 0.378646 Li\n0.766898 0.897438 0.875605 Li\n0.744248 0.358312 0.117490 Fe\n0.749273 0.347543 0.608443 Fe\n0.242342 0.661156 0.391318 Fe\n0.242357 0.647172 0.888395 Fe\n0.246574 0.419635 0.148412 P\n0.243764 0.410059 0.642396 P\n0.746678 0.594872 0.358205 P\n0.753124 0.591381 0.857903 P\n0.760283 0.043576 0.134899 C\n0.762489 0.040844 0.636620 C\n0.262861 0.961546 0.369508 C\n0.245083 0.938245 0.848126 C\n0.283596 0.106098 0.348783 O\n0.249162 0.081674 0.820123 O\n0.753769 0.069200 0.010437 O\n0.761725 0.072981 0.513254 O\n0.744966 0.158642 0.221200 O\n0.746623 0.153308 0.725672 O\n0.062970 0.316117 0.113582 O\n0.430910 0.329710 0.096167 O\n0.063338 0.303695 0.604754 O\n0.430265 0.317693 0.593821 O\n0.266623 0.442445 0.301773 O\n0.728076 0.432298 0.414298 O\n0.253626 0.434047 0.795514 O\n0.749624 0.435047 0.924113 O\n0.227304 0.579756 0.088498 O\n0.771288 0.575618 0.205528 O\n0.229626 0.568834 0.581043 O\n0.779545 0.563246 0.705986 O\n0.561914 0.697006 0.389309 O\n0.926665 0.688981 0.417109 O\n0.562164 0.688068 0.883980 O\n0.926497 0.695063 0.914036 O\n0.244972 0.861741 0.270035 O\n0.225845 0.832693 0.754079 O\n0.256453 0.912221 0.488111 O\n0.259417 0.894378 0.968281 O\n0.780234 0.905810 0.178014 O\n0.777411 0.901538 0.675395 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Li-Na-O-P",
"density": 2.854896400460166,
"density_atomic": 0.08740122253640613,
"volume": 594.9573528944621,
"volume_molar": 6.890224856398932,
"formula_full": "Na6 Li6 Fe4 P4 C4 O28",
"formula_reduced": "Na3Li3Fe2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E3F14",
"energy": -363.7256172,
"energy_per_atom": -6.994723407692307,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -335.4656172,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.5099329,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.354000Z",
"spacegroup": 1
},
{
"id": "mp-1667139",
"created_at": "2022-09-04T14:46:26.234771Z",
"structure_string": "Na4 Li8 Fe4 P4 C4 O28\n1.0\n0.157123 0.006447 5.061423\n8.819373 6.936900 0.307862\n-8.478069 6.476401 -0.289618\nNa Li Fe P C O\n4 8 4 4 4 28\ndirect\n0.258400 0.377708 0.121637 Na\n0.258362 0.878630 0.622723 Na\n0.740035 0.620520 0.877239 Na\n0.739500 0.122331 0.377961 Na\n0.762507 0.152553 0.056793 Li\n0.767377 0.647816 0.557173 Li\n0.238916 0.852184 0.944516 Li\n0.236031 0.348181 0.444015 Li\n0.239655 0.163658 0.876651 Li\n0.244118 0.661082 0.375582 Li\n0.755827 0.838369 0.123394 Li\n0.746847 0.343374 0.627407 Li\n0.783287 0.055837 0.710412 Fe\n0.213441 0.447248 0.788712 Fe\n0.784519 0.554656 0.209970 Fe\n0.213163 0.944787 0.290220 Fe\n0.716317 0.329408 0.917447 P\n0.719823 0.829729 0.417104 P\n0.280424 0.668643 0.081538 P\n0.279405 0.172020 0.584189 P\n0.710737 0.404189 0.363305 C\n0.711371 0.903325 0.862280 C\n0.299903 0.595306 0.635716 C\n0.287541 0.095024 0.137356 C\n0.367562 0.163273 0.066456 O\n0.370142 0.665417 0.564344 O\n0.632009 0.835129 0.933681 O\n0.631104 0.335793 0.434290 O\n0.959033 0.414217 0.345327 O\n0.959313 0.913169 0.843816 O\n0.053244 0.583037 0.656300 O\n0.039257 0.085127 0.155482 O\n0.535388 0.466448 0.307930 O\n0.535422 0.965402 0.807117 O\n0.481736 0.534338 0.688533 O\n0.462580 0.032381 0.192684 O\n0.835192 0.193892 0.890269 O\n0.838718 0.694616 0.390386 O\n0.159972 0.803236 0.106934 O\n0.163344 0.308316 0.613532 O\n0.789397 0.386627 0.061891 O\n0.792367 0.889215 0.560524 O\n0.211427 0.607589 0.937383 O\n0.204561 0.115708 0.440025 O\n0.408733 0.327510 0.895591 O\n0.412549 0.827553 0.393930 O\n0.587154 0.672056 0.104369 O\n0.586649 0.173837 0.605714 O\n0.168562 0.598139 0.173941 O\n0.168070 0.100069 0.675365 O\n0.827275 0.400775 0.826271 O\n0.831732 0.900553 0.324574 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Li-Na-O-P",
"density": 2.8069199234142745,
"density_atomic": 0.08871631137095615,
"volume": 586.1379851848045,
"volume_molar": 6.788087406857091,
"formula_full": "Na4 Li8 Fe4 P4 C4 O28",
"formula_reduced": "NaLi2FePCO7",
"formula_anonymous": "ABCDE2F7",
"energy": -372.34681949,
"energy_per_atom": -7.160515759423077,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -344.08681949,
"band_gap": 3.983200000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0000493,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.809000Z",
"spacegroup": 1
},
{
"id": "mp-772931",
"created_at": "2022-09-04T14:47:16.102331Z",
"structure_string": "Na6 Li6 Fe4 P4 C4 O28\n1.0\n6.630836 0.000000 0.000000\n-0.092755 8.751635 0.000000\n-0.084489 -0.285139 10.196777\nNa Li Fe P C O\n6 6 4 4 4 28\ndirect\n0.252108 0.915746 0.878694 Na\n0.241715 0.915861 0.378735 Na\n0.995032 0.744878 0.624916 Na\n0.502197 0.743378 0.127555 Na\n0.501525 0.254971 0.874732 Na\n0.500796 0.256128 0.376046 Na\n0.471417 0.718834 0.610675 Li\n0.027194 0.720387 0.109398 Li\n0.979373 0.274708 0.884038 Li\n0.978191 0.276128 0.387628 Li\n0.756822 0.097246 0.625938 Li\n0.779911 0.092429 0.127002 Li\n0.751403 0.646296 0.889684 Fe\n0.747101 0.646188 0.389296 Fe\n0.242472 0.348892 0.609966 Fe\n0.246280 0.348697 0.108081 Fe\n0.249173 0.583456 0.852708 P\n0.237581 0.583863 0.353277 P\n0.746005 0.409264 0.647709 P\n0.758986 0.410937 0.147063 P\n0.758960 0.956976 0.864873 C\n0.761233 0.957630 0.365261 C\n0.257814 0.050707 0.635202 C\n0.238616 0.050417 0.135495 C\n0.282017 0.904567 0.641844 O\n0.221107 0.903107 0.141393 O\n0.747639 0.925563 0.988536 O\n0.758820 0.924824 0.488778 O\n0.750543 0.845882 0.776402 O\n0.745632 0.847510 0.276212 O\n0.067559 0.685374 0.894520 O\n0.439613 0.670791 0.905114 O\n0.058046 0.682839 0.401106 O\n0.430892 0.674378 0.400167 O\n0.259974 0.568609 0.699220 O\n0.724146 0.569697 0.588180 O\n0.232696 0.570082 0.199897 O\n0.772506 0.572037 0.087445 O\n0.229772 0.421778 0.908533 O\n0.776055 0.428340 0.799210 O\n0.231515 0.422198 0.410238 O\n0.778128 0.428256 0.299591 O\n0.558054 0.305632 0.617523 O\n0.925029 0.316546 0.588312 O\n0.559370 0.324813 0.110905 O\n0.928983 0.304355 0.093214 O\n0.238656 0.136290 0.740646 O\n0.242973 0.136478 0.241238 O\n0.250240 0.116517 0.522025 O\n0.252193 0.115851 0.022409 O\n0.777725 0.096339 0.826183 O\n0.778215 0.097330 0.327186 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Li-Na-O-P",
"density": 2.8704883232703122,
"density_atomic": 0.08787856143916997,
"volume": 591.7256626463405,
"volume_molar": 6.852798522616418,
"formula_full": "Na6 Li6 Fe4 P4 C4 O28",
"formula_reduced": "Na3Li3Fe2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E3F14",
"energy": -370.09775105,
"energy_per_atom": -7.117264443269231,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -341.83775105,
"band_gap": 3.7783000000000007,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0007339,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.694000Z",
"spacegroup": 1
},
{
"id": "mp-772670",
"created_at": "2022-09-04T14:42:12.196605Z",
"structure_string": "Na10 Li2 Fe4 P4 C4 O28\n1.0\n6.597337 0.000000 0.000000\n-0.109831 8.998009 0.000000\n-0.032536 -0.179715 10.397823\nNa Li Fe P C O\n10 2 4 4 4 28\ndirect\n0.245767 0.917104 0.880922 Na\n0.247972 0.917433 0.379483 Na\n0.001100 0.739804 0.624548 Na\n0.499525 0.738978 0.623984 Na\n0.498477 0.739673 0.124645 Na\n0.501523 0.260327 0.875355 Na\n0.500475 0.261022 0.376016 Na\n0.998900 0.260196 0.375452 Na\n0.752028 0.082567 0.620517 Na\n0.754233 0.082896 0.119078 Na\n0.004367 0.730816 0.123263 Li\n0.995633 0.269184 0.876737 Li\n0.751686 0.645245 0.893910 Fe\n0.750502 0.645018 0.391458 Fe\n0.249498 0.354982 0.608542 Fe\n0.248314 0.354755 0.106090 Fe\n0.246015 0.583578 0.850903 P\n0.246759 0.587709 0.348649 P\n0.753241 0.412291 0.651351 P\n0.753985 0.416422 0.149097 P\n0.756472 0.943832 0.866919 C\n0.752140 0.939166 0.364559 C\n0.247860 0.060834 0.635441 C\n0.243528 0.056168 0.133081 C\n0.252002 0.917248 0.643385 O\n0.233277 0.911934 0.139745 O\n0.751132 0.879319 0.977931 O\n0.751273 0.877115 0.476900 O\n0.750970 0.861513 0.762488 O\n0.756726 0.855734 0.261050 O\n0.063534 0.681409 0.894674 O\n0.439055 0.674026 0.894178 O\n0.062292 0.681661 0.394174 O\n0.438564 0.682028 0.388158 O\n0.246931 0.567338 0.701591 O\n0.750253 0.565933 0.588081 O\n0.237722 0.570825 0.198894 O\n0.764633 0.572738 0.089301 O\n0.235367 0.427262 0.910699 O\n0.762278 0.429175 0.801106 O\n0.249747 0.434067 0.411919 O\n0.753069 0.432662 0.298409 O\n0.561436 0.317972 0.611842 O\n0.937708 0.318339 0.605826 O\n0.560945 0.325974 0.105822 O\n0.936466 0.318591 0.105326 O\n0.243274 0.144266 0.738950 O\n0.249030 0.138487 0.237512 O\n0.248727 0.122885 0.523100 O\n0.248868 0.120681 0.022069 O\n0.766723 0.088066 0.860255 O\n0.747998 0.082752 0.356615 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Li-Na-O-P",
"density": 2.9245118585188705,
"density_atomic": 0.08424532910863596,
"volume": 617.2449030728459,
"volume_molar": 7.148337864802374,
"formula_full": "Na10 Li2 Fe4 P4 C4 O28",
"formula_reduced": "Na5LiFe2P2(CO7)2",
"formula_anonymous": "AB2C2D2E5F14",
"energy": -366.8214686,
"energy_per_atom": -7.054259011538462,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -338.5614686,
"band_gap": 3.6147,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0001656,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.485000Z",
"spacegroup": 2
},
{
"id": "mp-1101716",
"created_at": "2022-09-04T14:40:38.220623Z",
"structure_string": "Na4 Li8 Fe4 P4 C4 O28\n1.0\n6.573557 0.000000 0.000000\n0.117808 8.681964 0.000000\n0.053452 0.481735 10.208945\nNa Li Fe P C O\n4 8 4 4 4 28\ndirect\n0.754122 0.913812 0.120595 Na\n0.766167 0.914380 0.621261 Na\n0.496468 0.745218 0.878238 Na\n0.497477 0.256244 0.624534 Na\n0.971207 0.719862 0.381813 Li\n0.532472 0.720551 0.381384 Li\n0.970720 0.717874 0.889519 Li\n0.477237 0.272320 0.118597 Li\n0.016828 0.270697 0.119579 Li\n0.025872 0.276607 0.619728 Li\n0.239912 0.090891 0.372882 Li\n0.219413 0.097469 0.877488 Li\n0.241088 0.650790 0.117291 Fe\n0.253437 0.654443 0.602265 Fe\n0.760360 0.342783 0.388884 Fe\n0.750418 0.348413 0.894779 Fe\n0.745806 0.581328 0.148744 P\n0.763472 0.581190 0.639446 P\n0.253601 0.410808 0.349365 P\n0.240783 0.416918 0.858713 P\n0.247644 0.963477 0.136771 C\n0.239129 0.957889 0.641260 C\n0.753939 0.043034 0.360926 C\n0.761864 0.050846 0.862187 C\n0.744627 0.893445 0.355457 O\n0.778608 0.901947 0.854581 O\n0.251293 0.928659 0.014481 O\n0.247900 0.925984 0.518466 O\n0.235377 0.853373 0.227738 O\n0.248901 0.845488 0.730671 O\n0.927507 0.675116 0.091728 O\n0.554895 0.676758 0.106826 O\n0.941945 0.681009 0.582954 O\n0.567401 0.669960 0.590978 O\n0.757966 0.571007 0.302455 O\n0.253050 0.577442 0.398642 O\n0.769892 0.572673 0.792288 O\n0.227176 0.577700 0.916812 O\n0.743225 0.415538 0.098679 O\n0.237901 0.421894 0.196174 O\n0.773881 0.417149 0.588672 O\n0.231621 0.433366 0.706219 O\n0.447547 0.317901 0.389632 O\n0.076904 0.310881 0.407785 O\n0.437030 0.326543 0.902423 O\n0.065185 0.310313 0.910921 O\n0.769382 0.131484 0.255191 O\n0.755838 0.141059 0.756998 O\n0.748950 0.107694 0.473010 O\n0.750941 0.112593 0.975427 O\n0.255135 0.106094 0.170674 O\n0.220491 0.099088 0.677867 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Li-Na-O-P",
"density": 2.823778403519215,
"density_atomic": 0.08924914529961762,
"volume": 582.6386328455158,
"volume_molar": 6.747561267710876,
"formula_full": "Na4 Li8 Fe4 P4 C4 O28",
"formula_reduced": "NaLi2FePCO7",
"formula_anonymous": "ABCDE2F7",
"energy": -371.6875942,
"energy_per_atom": -7.14783835,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -343.4275942,
"band_gap": 1.3709,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 15.9999747,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.740000Z",
"spacegroup": 1
},
{
"id": "mp-772851",
"created_at": "2022-09-04T14:43:12.216381Z",
"structure_string": "Na6 Li6 Fe4 P4 C4 O28\n1.0\n6.710160 0.000000 0.000000\n0.012295 8.717715 0.000000\n0.075031 0.366928 10.171016\nNa Li Fe P C O\n6 6 4 4 4 28\ndirect\n0.749733 0.914158 0.619929 Na\n0.001254 0.744415 0.368826 Na\n0.999889 0.737996 0.880910 Na\n0.497726 0.738625 0.879117 Na\n0.499661 0.256750 0.124196 Na\n0.497654 0.259018 0.625409 Na\n0.751364 0.914010 0.123413 Li\n0.522846 0.723868 0.375424 Li\n0.019381 0.271737 0.118635 Li\n0.021975 0.278637 0.615248 Li\n0.245178 0.095379 0.375874 Li\n0.234487 0.093992 0.874987 Li\n0.251863 0.646506 0.115970 Fe\n0.253963 0.647588 0.605820 Fe\n0.757643 0.349323 0.385562 Fe\n0.754959 0.348272 0.891697 Fe\n0.751603 0.592974 0.150306 P\n0.756679 0.580627 0.643274 P\n0.253132 0.406829 0.352125 P\n0.245551 0.404575 0.858487 P\n0.242510 0.954212 0.136195 C\n0.239401 0.955461 0.635434 C\n0.743955 0.053465 0.356173 C\n0.750956 0.050625 0.868682 C\n0.722383 0.907220 0.338987 O\n0.749371 0.905885 0.847343 O\n0.246699 0.919081 0.013424 O\n0.243150 0.917768 0.513186 O\n0.257318 0.844538 0.227183 O\n0.254518 0.847574 0.727671 O\n0.932432 0.699350 0.116509 O\n0.566615 0.685785 0.102853 O\n0.940564 0.681920 0.604438 O\n0.570007 0.672813 0.593436 O\n0.735969 0.567975 0.303728 O\n0.271031 0.568971 0.409958 O\n0.744979 0.560262 0.796132 O\n0.248391 0.562011 0.924084 O\n0.769985 0.433843 0.088353 O\n0.228495 0.427878 0.199890 O\n0.769489 0.420216 0.583834 O\n0.225546 0.431237 0.706375 O\n0.437757 0.304041 0.382639 O\n0.073788 0.313477 0.410401 O\n0.435882 0.307572 0.888826 O\n0.069965 0.302528 0.912296 O\n0.766506 0.147735 0.255502 O\n0.757984 0.150474 0.769511 O\n0.744764 0.109629 0.472749 O\n0.746562 0.099292 0.987699 O\n0.224617 0.094596 0.172465 O\n0.221870 0.097283 0.668834 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Li-Na-O-P",
"density": 2.854804081519355,
"density_atomic": 0.08739839623829988,
"volume": 594.9765926850322,
"volume_molar": 6.890447673181635,
"formula_full": "Na6 Li6 Fe4 P4 C4 O28",
"formula_reduced": "Na3Li3Fe2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E3F14",
"energy": -370.06236875,
"energy_per_atom": -7.116584014423077,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -341.80236875,
"band_gap": 3.7383000000000006,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0001788,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.896000Z",
"spacegroup": 1
},
{
"id": "mp-772930",
"created_at": "2022-09-04T14:48:06.992799Z",
"structure_string": "Na8 Li4 Fe4 P4 C4 O28\n1.0\n6.662556 0.000000 0.000000\n0.091987 8.855228 0.000000\n0.082161 0.294250 10.310274\nNa Li Fe P C O\n8 4 4 4 4 28\ndirect\n0.756727 0.918274 0.119028 Na\n0.754377 0.918395 0.619963 Na\n0.000451 0.739512 0.374476 Na\n0.499956 0.739946 0.375360 Na\n0.499198 0.740452 0.873550 Na\n0.496692 0.258625 0.124459 Na\n0.497125 0.261665 0.622321 Na\n0.003880 0.260603 0.626070 Na\n0.983981 0.724429 0.881515 Li\n0.014585 0.271170 0.123488 Li\n0.241361 0.093074 0.373507 Li\n0.236012 0.089102 0.875109 Li\n0.249620 0.649232 0.107081 Fe\n0.247427 0.648089 0.609845 Fe\n0.752491 0.351646 0.387942 Fe\n0.752401 0.348876 0.891178 Fe\n0.755930 0.583027 0.145881 P\n0.753535 0.588318 0.649149 P\n0.247241 0.404634 0.349463 P\n0.244992 0.410998 0.854183 P\n0.240896 0.954043 0.135221 C\n0.247458 0.946713 0.640214 C\n0.753629 0.060259 0.361900 C\n0.759606 0.052632 0.866307 C\n0.746720 0.915229 0.353770 O\n0.773647 0.906889 0.860411 O\n0.250818 0.911207 0.015449 O\n0.248461 0.907311 0.518669 O\n0.247063 0.851607 0.229247 O\n0.240097 0.843150 0.732286 O\n0.935197 0.684483 0.100494 O\n0.561944 0.670848 0.103637 O\n0.936075 0.684137 0.601933 O\n0.562251 0.683447 0.612791 O\n0.753873 0.565657 0.297172 O\n0.252426 0.559421 0.415640 O\n0.764000 0.567798 0.800280 O\n0.228427 0.568754 0.915293 O\n0.770559 0.424568 0.087082 O\n0.232360 0.429840 0.199133 O\n0.750187 0.432635 0.585549 O\n0.242442 0.433734 0.703780 O\n0.437304 0.307025 0.382022 O\n0.069019 0.304846 0.397886 O\n0.439246 0.322748 0.893977 O\n0.070322 0.303992 0.899165 O\n0.762608 0.146815 0.258404 O\n0.754945 0.137193 0.760689 O\n0.751624 0.122581 0.475395 O\n0.749536 0.118519 0.977257 O\n0.225499 0.094959 0.164102 O\n0.253776 0.086892 0.671279 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Li-Na-O-P",
"density": 2.8799424885942027,
"density_atomic": 0.08548551188699255,
"volume": 608.2902102609074,
"volume_molar": 7.044633209848425,
"formula_full": "Na8 Li4 Fe4 P4 C4 O28",
"formula_reduced": "Na2LiFePCO7",
"formula_anonymous": "ABCDE2F7",
"energy": -368.31968541,
"energy_per_atom": -7.0830708732692305,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -340.05968541,
"band_gap": 3.6665,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0028208,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.679000Z",
"spacegroup": 1
},
{
"id": "mp-1176364",
"created_at": "2022-09-04T14:39:28.185677Z",
"structure_string": "Na6 Li6 Fe4 P4 C4 O28\n1.0\n6.641840 0.000000 0.000000\n-0.080373 8.773772 0.000000\n-0.000491 -0.332452 10.192341\nNa Li Fe P C O\n6 6 4 4 4 28\ndirect\n0.247410 0.917231 0.879040 Na\n0.247119 0.915594 0.381048 Na\n0.999122 0.740170 0.121087 Na\n0.500629 0.740686 0.122182 Na\n0.502001 0.254183 0.875757 Na\n0.502288 0.259483 0.376310 Na\n0.022609 0.726171 0.618683 Li\n0.476033 0.725394 0.619758 Li\n0.981201 0.271893 0.882852 Li\n0.983057 0.274101 0.382580 Li\n0.766570 0.090616 0.624637 Li\n0.765140 0.093865 0.126648 Li\n0.749169 0.643012 0.881107 Fe\n0.749913 0.651156 0.397623 Fe\n0.244077 0.348198 0.611948 Fe\n0.244242 0.351873 0.107412 Fe\n0.244417 0.586953 0.847243 P\n0.244046 0.582591 0.359500 P\n0.753836 0.408718 0.649360 P\n0.752257 0.408181 0.145432 P\n0.758540 0.953647 0.861607 C\n0.759882 0.955201 0.364001 C\n0.246836 0.047883 0.634858 C\n0.246025 0.059829 0.137609 C\n0.250382 0.899717 0.639451 O\n0.252272 0.913369 0.147485 O\n0.752221 0.919570 0.985073 O\n0.753652 0.914874 0.485538 O\n0.746061 0.845198 0.771000 O\n0.749174 0.849902 0.270125 O\n0.063013 0.686369 0.889983 O\n0.434639 0.675909 0.894654 O\n0.062980 0.683672 0.405653 O\n0.435792 0.671423 0.410378 O\n0.248828 0.572218 0.692620 O\n0.752540 0.574129 0.597239 O\n0.248921 0.568146 0.206813 O\n0.747198 0.564177 0.079137 O\n0.232625 0.424837 0.903560 O\n0.777426 0.422258 0.801967 O\n0.229842 0.420968 0.414481 O\n0.774546 0.433232 0.297261 O\n0.559480 0.316806 0.614669 O\n0.926809 0.309302 0.590397 O\n0.559426 0.311033 0.115126 O\n0.928508 0.307153 0.091625 O\n0.238415 0.133454 0.741275 O\n0.234852 0.148902 0.241795 O\n0.251045 0.115172 0.522885 O\n0.250559 0.120373 0.022657 O\n0.776496 0.094100 0.826166 O\n0.775876 0.097104 0.332704 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Li-Na-O-P",
"density": 2.859746191339641,
"density_atomic": 0.08754969645365361,
"volume": 593.948375680861,
"volume_molar": 6.878539851006742,
"formula_full": "Na6 Li6 Fe4 P4 C4 O28",
"formula_reduced": "Na3Li3Fe2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E3F14",
"energy": -369.96910792,
"energy_per_atom": -7.114790536923077,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -341.70910792,
"band_gap": 1.1039999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.186000Z",
"spacegroup": 1
}
]
}