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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=11480",
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"results": [
{
"id": "mp-1662795",
"created_at": "2022-09-04T14:42:59.128226Z",
"structure_string": "Li8 Ti4 Fe6 Sb6 O32\n1.0\n3.180251 5.406944 -0.077193\n-9.281149 5.253907 0.026035\n-0.081732 -0.095159 9.824750\nLi Ti Fe Sb O\n8 4 6 6 32\ndirect\n0.504064 0.163962 0.899199 Li\n0.015449 0.659775 0.895321 Li\n0.983803 0.012433 0.985068 Li\n0.482945 0.503460 0.982560 Li\n0.001978 0.001953 0.504493 Li\n0.504867 0.503249 0.501562 Li\n0.476209 0.838623 0.401009 Li\n0.981483 0.331145 0.402777 Li\n0.521210 0.154808 0.499704 Ti\n0.021546 0.654368 0.502768 Ti\n0.554194 0.817947 0.967640 Ti\n0.041817 0.329622 0.973595 Ti\n0.237036 0.589859 0.208582 Fe\n0.759256 0.909817 0.708076 Fe\n0.255684 0.406185 0.707122 Fe\n0.729591 0.085497 0.213983 Fe\n0.514726 0.663870 0.710219 Fe\n0.014793 0.165819 0.713258 Fe\n0.269500 0.908457 0.717359 Sb\n0.765383 0.407077 0.714309 Sb\n0.494437 0.335420 0.222830 Sb\n0.989594 0.837458 0.217096 Sb\n0.238146 0.090452 0.220831 Sb\n0.743630 0.593144 0.214038 Sb\n0.247427 0.229491 0.356677 O\n0.761676 0.754182 0.330386 O\n0.470826 0.157482 0.103705 O\n0.975667 0.679986 0.103163 O\n0.991364 0.000951 0.318007 O\n0.503277 0.529282 0.320135 O\n0.021750 0.991152 0.801791 O\n0.521074 0.492970 0.797246 O\n0.210173 0.928782 0.107961 O\n0.735624 0.438715 0.100951 O\n0.741129 0.078865 0.581360 O\n0.243447 0.578870 0.578020 O\n0.499025 0.830031 0.608073 O\n0.991695 0.329405 0.604365 O\n0.742213 0.754815 0.856921 O\n0.231998 0.261889 0.859512 O\n0.525437 0.325556 0.592114 O\n0.032492 0.822872 0.595780 O\n0.275712 0.067314 0.600015 O\n0.778020 0.572339 0.593110 O\n0.703434 0.236697 0.350770 O\n0.196060 0.750032 0.340689 O\n0.468827 0.020534 0.344747 O\n0.972672 0.530506 0.342808 O\n0.499442 0.973566 0.850497 O\n0.993668 0.478076 0.839205 O\n0.290695 0.761609 0.849757 O\n0.780947 0.263514 0.849194 O\n0.756637 0.915544 0.092974 O\n0.216247 0.437406 0.073744 O\n0.511905 0.672606 0.089291 O\n0.008399 0.170866 0.099307 O\n",
"nsites": 56,
"nelements": 5,
"elements": [
"Li",
"Ti",
"Fe",
"Sb",
"O"
],
"chemical_system": "Fe-Li-O-Sb-Ti",
"density": 4.6110091009610725,
"density_atomic": 0.08522472722498806,
"volume": 657.0862920119819,
"volume_molar": 7.0661895392189615,
"formula_full": "Li8 Ti4 Fe6 Sb6 O32",
"formula_reduced": "Li4Ti2Fe3Sb3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -406.7603005,
"energy_per_atom": -7.263576794642858,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -371.2403005,
"band_gap": 1.016299999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0011589,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.320000Z",
"spacegroup": 1
},
{
"id": "mp-757051",
"created_at": "2022-09-04T14:43:10.934091Z",
"structure_string": "Li4 Mn3 Cr3 Ni2 O16\n1.0\n2.904853 5.035672 0.000000\n-2.904853 5.035672 0.000000\n0.000000 0.049159 9.616661\nLi Mn Cr Ni O\n4 3 3 2 16\ndirect\n0.668392 0.668392 0.108934 Li\n0.998941 0.998941 0.001440 Li\n0.999211 0.999211 0.502349 Li\n0.335243 0.335243 0.608288 Li\n0.828750 0.828750 0.783108 Mn\n0.167786 0.660534 0.284656 Mn\n0.660534 0.167786 0.284656 Mn\n0.334924 0.830093 0.786575 Cr\n0.830093 0.334924 0.786575 Cr\n0.166568 0.166568 0.288801 Cr\n0.667227 0.667227 0.509283 Ni\n0.332733 0.332733 0.012799 Ni\n0.318340 0.844226 0.390857 O\n0.520440 0.520440 0.670530 O\n0.670072 0.670072 0.895431 O\n0.995902 0.995902 0.685989 O\n0.996126 0.996126 0.186712 O\n0.844226 0.318340 0.390857 O\n0.516811 0.964454 0.670464 O\n0.964454 0.516811 0.670464 O\n0.160240 0.160240 0.888858 O\n0.842622 0.842622 0.394594 O\n0.036696 0.480767 0.171865 O\n0.480767 0.036696 0.171865 O\n0.336970 0.336970 0.393858 O\n0.162906 0.681367 0.891097 O\n0.482781 0.482781 0.170189 O\n0.681367 0.162906 0.891097 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Cr",
"Ni",
"O"
],
"chemical_system": "Cr-Li-Mn-Ni-O",
"density": 4.261048647343129,
"density_atomic": 0.09952269652665048,
"volume": 281.3428592391694,
"volume_molar": 6.051022500568375,
"formula_full": "Li4 Mn3 Cr3 Ni2 O16",
"formula_reduced": "Li4Mn3Cr3(NiO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -209.64731979,
"energy_per_atom": -7.487404278214286,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -182.57231979,
"band_gap": 0.6302000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.9975756,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.847000Z",
"spacegroup": 8
},
{
"id": "mp-758093",
"created_at": "2022-09-04T14:43:10.531148Z",
"structure_string": "Li4 Mn3 Co3 Sb2 O16\n1.0\n-2.940438 5.094338 -0.000303\n-0.141330 -0.082197 9.744138\n5.960144 0.045784 -0.087140\nLi Mn Co Sb O\n4 3 3 2 16\ndirect\n0.659232 0.902759 0.318383 Li\n0.004774 0.989399 0.009490 Li\n0.010300 0.488860 0.020573 Li\n0.333371 0.404309 0.666826 Li\n0.829857 0.208035 0.659764 Mn\n0.663995 0.713192 0.833905 Mn\n0.169947 0.713183 0.833911 Mn\n0.829970 0.218016 0.171109 Co\n0.340959 0.218035 0.170982 Co\n0.172312 0.715493 0.344583 Co\n0.670357 0.488551 0.340764 Sb\n0.325860 0.985348 0.651616 Sb\n0.517665 0.348335 0.035104 O\n0.664540 0.112853 0.328882 O\n0.997335 0.298504 0.994818 O\n0.006140 0.800350 0.012238 O\n0.165979 0.096905 0.331915 O\n0.843479 0.591517 0.687026 O\n0.330856 0.617696 0.661682 O\n0.476397 0.846058 0.952679 O\n0.847077 0.594948 0.184492 O\n0.337425 0.594960 0.184423 O\n0.965622 0.348506 0.478530 O\n0.512510 0.348513 0.478207 O\n0.466091 0.843412 0.492558 O\n0.026551 0.843411 0.492654 O\n0.667572 0.088325 0.831332 O\n0.164126 0.088366 0.831552 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Co",
"Sb",
"O"
],
"chemical_system": "Co-Li-Mn-O-Sb",
"density": 4.856533399868331,
"density_atomic": 0.09424785057403637,
"volume": 297.0890034038984,
"volume_molar": 6.389684988379983,
"formula_full": "Li4 Mn3 Co3 Sb2 O16",
"formula_reduced": "Li4Mn3Co3(SbO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -196.8820359,
"energy_per_atom": -7.031501282142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -175.9720359,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 11.9991843,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.336000Z",
"spacegroup": 8
},
{
"id": "mp-762415",
"created_at": "2022-09-04T14:43:05.936900Z",
"structure_string": "Li4 Mn3 Nb3 Fe2 O16\n1.0\n6.117258 0.000000 0.000000\n-3.015719 5.466951 0.000000\n-0.087122 -0.472027 9.795159\nLi Mn Nb Fe O\n4 3 3 2 16\ndirect\n0.677007 0.347816 0.096853 Li\n0.995643 0.996354 0.997434 Li\n0.014044 0.033057 0.513958 Li\n0.344479 0.677268 0.613099 Li\n0.832938 0.170845 0.789938 Mn\n0.335668 0.158474 0.791514 Mn\n0.173666 0.343942 0.287354 Mn\n0.821842 0.653741 0.780487 Nb\n0.663686 0.835028 0.283329 Nb\n0.169038 0.834705 0.286101 Nb\n0.651540 0.292831 0.526125 Fe\n0.312702 0.640073 0.994994 Fe\n0.822018 0.151588 0.400769 O\n0.542720 0.039899 0.659681 O\n0.692780 0.348087 0.894269 O\n0.971816 0.985110 0.697582 O\n0.992150 0.987711 0.183142 O\n0.328571 0.147625 0.405510 O\n0.964756 0.498571 0.649800 O\n0.530697 0.486145 0.648419 O\n0.138039 0.312453 0.909448 O\n0.850769 0.699283 0.392117 O\n0.497565 0.545764 0.157384 O\n0.047699 0.547175 0.159685 O\n0.354837 0.702682 0.398519 O\n0.645954 0.787210 0.903137 O\n0.482855 0.972904 0.169860 O\n0.144816 0.803657 0.901654 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Nb",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-Nb-O",
"density": 4.252908439853957,
"density_atomic": 0.08547607320364203,
"volume": 327.5770511040153,
"volume_molar": 7.045411112478906,
"formula_full": "Li4 Mn3 Nb3 Fe2 O16",
"formula_reduced": "Li4Mn3Nb3(FeO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -227.86884792000004,
"energy_per_atom": -8.138173140000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -207.36084792,
"band_gap": 0.3522999999999996,
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"is_magnetic": true,
"total_magnetization": 24.0013627,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.100000Z",
"spacegroup": 1
},
{
"id": "mp-1663956",
"created_at": "2022-09-04T14:43:52.274095Z",
"structure_string": "Li8 Ti4 Co6 Sn6 O32\n1.0\n6.025649 -0.018595 0.040896\n-2.931012 -5.204274 9.598201\n0.032472 -10.643158 -0.116666\nLi Ti Co Sn O\n8 4 6 6 32\ndirect\n0.960566 0.890873 0.715715 Li\n0.461586 0.891758 0.214622 Li\n0.467726 0.989089 0.509795 Li\n0.964334 0.988807 0.011459 Li\n0.232212 0.498102 0.758316 Li\n0.732809 0.498552 0.256362 Li\n0.200864 0.402066 0.132912 Li\n0.700046 0.401841 0.633742 Li\n0.764910 0.493852 0.913763 Ti\n0.260441 0.494285 0.414722 Ti\n0.513411 0.989468 0.824997 Ti\n0.023181 0.987880 0.324960 Ti\n0.851425 0.212989 0.978303 Co\n0.369877 0.718197 0.813238 Co\n0.603846 0.712555 0.054298 Co\n0.352968 0.216931 0.477788 Co\n0.859214 0.716389 0.313022 Co\n0.106701 0.714213 0.552452 Co\n0.112659 0.713989 0.058677 Sn\n0.613537 0.712224 0.560533 Sn\n0.363681 0.214838 0.976578 Sn\n0.864148 0.213213 0.476607 Sn\n0.612126 0.215025 0.221378 Sn\n0.105241 0.213942 0.723255 Sn\n0.439682 0.341634 0.072937 O\n0.936788 0.341027 0.572580 O\n0.561334 0.100190 0.111772 O\n0.053942 0.097426 0.615852 O\n0.142601 0.310412 0.848798 O\n0.652319 0.311947 0.345677 O\n0.383634 0.802327 0.600184 O\n0.880189 0.802034 0.100354 O\n0.791811 0.088555 0.373024 O\n0.292260 0.090097 0.872521 O\n0.042914 0.594660 0.802731 O\n0.537617 0.591902 0.302369 O\n0.321702 0.607610 0.027685 O\n0.825391 0.607876 0.527307 O\n0.639659 0.847653 0.824243 O\n0.147212 0.850180 0.325748 O\n0.547589 0.595371 0.787229 O\n0.043646 0.598057 0.287717 O\n0.785256 0.597865 0.039033 O\n0.285409 0.597576 0.539437 O\n0.671417 0.353311 0.845320 O\n0.171342 0.354585 0.345308 O\n0.892464 0.354409 0.067459 O\n0.388707 0.354127 0.569936 O\n0.206829 0.847288 0.839283 O\n0.709022 0.842476 0.337895 O\n0.439371 0.836492 0.058856 O\n0.939138 0.837274 0.557495 O\n0.049520 0.090691 0.123056 O\n0.549701 0.090810 0.624299 O\n0.292917 0.090599 0.362910 O\n0.788649 0.088137 0.865359 O\n",
"nsites": 56,
"nelements": 5,
"elements": [
"Li",
"Ti",
"Co",
"Sn",
"O"
],
"chemical_system": "Co-Li-O-Sn-Ti",
"density": 4.88355475792009,
"density_atomic": 0.09025082038499298,
"volume": 620.4929745914171,
"volume_molar": 6.672671488536817,
"formula_full": "Li8 Ti4 Co6 Sn6 O32",
"formula_reduced": "Li4Ti2Co3Sn3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -395.30162154,
"energy_per_atom": -7.0589575275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -363.48962154,
"band_gap": 0.5872000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.662000Z",
"spacegroup": 1
},
{
"id": "mp-793779",
"created_at": "2022-09-04T14:43:48.686846Z",
"structure_string": "Li4 Fe3 Co3 Sn2 O16\n1.0\n2.986491 5.139622 0.000000\n-2.986491 5.139622 0.000000\n0.000000 0.114426 9.789891\nLi Fe Co Sn O\n4 3 3 2 16\ndirect\n0.664954 0.664954 0.105009 Li\n0.002979 0.002979 0.005100 Li\n0.002275 0.002275 0.506474 Li\n0.331655 0.331655 0.606225 Li\n0.830779 0.830779 0.786431 Fe\n0.170328 0.661901 0.285641 Fe\n0.661901 0.170328 0.285641 Fe\n0.338726 0.832810 0.785602 Co\n0.832810 0.338726 0.785602 Co\n0.169932 0.169932 0.285802 Co\n0.666093 0.666093 0.510152 Sn\n0.333513 0.333513 0.009897 Sn\n0.323554 0.840871 0.399573 O\n0.516116 0.516116 0.663412 O\n0.661374 0.661374 0.891427 O\n0.003597 0.003597 0.693360 O\n0.004430 0.004430 0.192042 O\n0.840871 0.323554 0.399573 O\n0.511342 0.964881 0.662264 O\n0.964881 0.511342 0.662264 O\n0.162849 0.162849 0.895899 O\n0.839544 0.839544 0.401862 O\n0.033370 0.477855 0.161031 O\n0.477855 0.033370 0.161031 O\n0.329884 0.329884 0.393262 O\n0.162922 0.678666 0.899619 O\n0.482663 0.482663 0.159183 O\n0.678666 0.162922 0.899619 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Fe",
"Co",
"Sn",
"O"
],
"chemical_system": "Co-Fe-Li-O-Sn",
"density": 4.782119630948225,
"density_atomic": 0.09316607286787278,
"volume": 300.53858811575464,
"volume_molar": 6.463877433731206,
"formula_full": "Li4 Fe3 Co3 Sn2 O16",
"formula_reduced": "Li4Fe3Co3(SnO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -190.3921036,
"energy_per_atom": -6.799717985714286,
"energy_above_hull": null,
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"energy_uncorrected": -167.7181036,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 17.0013922,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.219000Z",
"spacegroup": 8
},
{
"id": "mp-776240",
"created_at": "2022-09-04T14:42:23.592453Z",
"structure_string": "Li4 Co3 Sn3 Sb2 O16\n1.0\n3.088889 5.361337 0.000000\n-3.088889 5.361337 0.000000\n0.000000 0.095814 9.865198\nLi Co Sn Sb O\n4 3 3 2 16\ndirect\n0.666718 0.666718 0.102822 Li\n0.982685 0.982685 0.021563 Li\n0.990257 0.990257 0.501688 Li\n0.331360 0.331360 0.588948 Li\n0.829443 0.829443 0.786347 Co\n0.176046 0.658593 0.287992 Co\n0.658593 0.176046 0.287992 Co\n0.339541 0.832103 0.786593 Sn\n0.832103 0.339541 0.786593 Sn\n0.171429 0.171429 0.287207 Sn\n0.673540 0.673540 0.506901 Sb\n0.342167 0.342167 0.021316 Sb\n0.341916 0.833554 0.411898 O\n0.518467 0.518467 0.653155 O\n0.663710 0.663710 0.896961 O\n0.000871 0.000871 0.691984 O\n0.002741 0.002741 0.203959 O\n0.833554 0.341916 0.411898 O\n0.516358 0.959747 0.652622 O\n0.959747 0.516358 0.652622 O\n0.167889 0.167889 0.904225 O\n0.832867 0.832867 0.409369 O\n0.038240 0.477641 0.143772 O\n0.477641 0.038240 0.143772 O\n0.331055 0.331055 0.391842 O\n0.170558 0.665380 0.905192 O\n0.484550 0.484550 0.147754 O\n0.665380 0.170558 0.905192 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Co",
"Sn",
"Sb",
"O"
],
"chemical_system": "Co-Li-O-Sb-Sn",
"density": 5.387996675024994,
"density_atomic": 0.0856932907372081,
"volume": 326.74670046067416,
"volume_molar": 7.027552225141918,
"formula_full": "Li4 Co3 Sn3 Sb2 O16",
"formula_reduced": "Li4Co3Sn3(SbO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -183.0741322,
"energy_per_atom": -6.538361864285714,
"energy_above_hull": null,
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"energy_uncorrected": -167.1681322,
"band_gap": 0.375,
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"is_magnetic": true,
"total_magnetization": 8.9977961,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.678000Z",
"spacegroup": 8
},
{
"id": "mp-757795",
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}