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{
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"results": [
{
"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",
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"elements": [
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"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,
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"updated_at": "2021-11-28T01:35:31.279000Z",
"spacegroup": 1
},
{
"id": "mp-771007",
"created_at": "2022-09-04T14:46:12.302124Z",
"structure_string": "Na4 Li8 Fe4 P4 C4 O28\n1.0\n0.211352 6.518289 5.103232\n0.077902 -6.576822 5.177760\n8.670011 0.090341 0.295290\nNa Li Fe P C O\n4 8 4 4 4 28\ndirect\n0.503046 0.254646 0.087179 Na\n0.003218 0.754715 0.087177 Na\n0.625785 0.122221 0.743602 Na\n0.125779 0.622235 0.743592 Na\n0.132471 0.103591 0.281940 Li\n0.632714 0.603511 0.282124 Li\n0.365132 0.883924 0.275446 Li\n0.864978 0.383844 0.275568 Li\n0.863612 0.893292 0.719715 Li\n0.363505 0.393461 0.719532 Li\n0.507015 0.723639 0.905099 Li\n0.006999 0.223630 0.905024 Li\n0.270345 0.521834 0.339896 Fe\n0.729369 0.490108 0.655817 Fe\n0.770199 0.022039 0.340061 Fe\n0.229844 0.990021 0.655496 Fe\n0.483824 0.241617 0.416856 P\n0.983843 0.741543 0.416865 P\n0.522748 0.772262 0.582434 P\n0.022716 0.272279 0.582421 P\n0.727481 0.968556 0.040735 C\n0.227541 0.468447 0.040672 C\n0.264713 0.016050 0.957350 C\n0.764773 0.516151 0.957408 C\n0.273285 0.019896 0.106800 O\n0.773473 0.520032 0.106825 O\n0.849429 0.091974 0.069384 O\n0.349371 0.591968 0.069340 O\n0.630514 0.889797 0.156095 O\n0.130748 0.389509 0.156072 O\n0.444317 0.382388 0.315994 O\n0.944130 0.882196 0.316000 O\n0.636917 0.200050 0.328478 O\n0.136894 0.699993 0.328422 O\n0.332632 0.087354 0.425089 O\n0.832657 0.587184 0.425198 O\n0.471272 0.715304 0.419948 O\n0.971093 0.215304 0.419945 O\n0.524154 0.297568 0.581609 O\n0.024226 0.797542 0.581564 O\n0.685368 0.912275 0.565794 O\n0.185273 0.412353 0.565684 O\n0.384769 0.832910 0.675595 O\n0.884733 0.332879 0.675691 O\n0.551409 0.627354 0.687364 O\n0.051519 0.127395 0.687264 O\n0.365999 0.125243 0.866720 O\n0.865907 0.625335 0.866671 O\n0.153723 0.904099 0.894497 O\n0.653738 0.404119 0.894645 O\n0.700395 0.922195 0.900679 O\n0.200410 0.422168 0.900623 O\n",
"nsites": 52,
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"elements": [
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"Li",
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"P",
"C",
"O"
],
"chemical_system": "C-Fe-Li-Na-O-P",
"density": 2.8221118647551444,
"density_atomic": 0.08919647220029912,
"volume": 582.9826978272087,
"volume_molar": 6.751545897999994,
"formula_full": "Na4 Li8 Fe4 P4 C4 O28",
"formula_reduced": "NaLi2FePCO7",
"formula_anonymous": "ABCDE2F7",
"energy": -371.79372268,
"energy_per_atom": -7.149879282307692,
"energy_above_hull": null,
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"energy_uncorrected": -343.53372268,
"band_gap": 3.835,
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"is_magnetic": true,
"total_magnetization": 8.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:24.296000Z",
"spacegroup": 1
},
{
"id": "mp-770772",
"created_at": "2022-09-04T14:44:24.188232Z",
"structure_string": "Na2 Li4 Fe2 P2 C2 O14\n1.0\n0.228709 0.001617 5.100495\n8.594690 0.000816 0.423091\n0.000656 6.617664 0.001829\nNa Li Fe P C O\n2 4 2 2 2 14\ndirect\n0.266327 0.260875 0.007458 Na\n0.734098 0.739240 0.507295 Na\n0.783228 0.103230 0.262318 Li\n0.216645 0.896763 0.762260 Li\n0.267946 0.278483 0.478857 Li\n0.732289 0.721262 0.978081 Li\n0.211335 0.662744 0.241588 Fe\n0.788571 0.337128 0.741524 Fe\n0.725191 0.410377 0.246416 P\n0.274962 0.589701 0.746478 P\n0.688872 0.041284 0.756567 C\n0.310882 0.958708 0.256652 C\n0.388500 0.096751 0.279094 O\n0.611455 0.903200 0.779068 O\n0.935938 0.066225 0.758860 O\n0.063818 0.933930 0.258831 O\n0.514505 0.161228 0.730193 O\n0.484993 0.838660 0.230322 O\n0.792115 0.303236 0.059529 O\n0.208233 0.696814 0.559633 O\n0.846297 0.311255 0.427566 O\n0.153504 0.688755 0.927585 O\n0.420554 0.436640 0.272962 O\n0.579620 0.563431 0.772800 O\n0.161311 0.430552 0.729167 O\n0.838812 0.569530 0.228899 O\n",
"nsites": 26,
"nelements": 6,
"elements": [
"Na",
"Li",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Li-Na-O-P",
"density": 2.841923521976115,
"density_atomic": 0.08982264508686026,
"volume": 289.45930032295854,
"volume_molar": 6.704479426292192,
"formula_full": "Na2 Li4 Fe2 P2 C2 O14",
"formula_reduced": "NaLi2FePCO7",
"formula_anonymous": "ABCDE2F7",
"energy": -186.17558484,
"energy_per_atom": -7.160599416923077,
"energy_above_hull": null,
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"energy_uncorrected": -172.04558484,
"band_gap": 3.6412,
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"is_magnetic": true,
"total_magnetization": 6.8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.048000Z",
"spacegroup": 4
},
{
"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,
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"energy_uncorrected": -169.35910544,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:35:42.351000Z",
"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,
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"elements": [
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"C",
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],
"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,
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"updated_at": "2021-11-28T01:35:35.485000Z",
"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,
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"elements": [
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],
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"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,
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"updated_at": "2021-11-28T01:34:29.354000Z",
"spacegroup": 1
},
{
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"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
}
]
}