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=-formula_anonymous&page=11485",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=11483",
"results": [
{
"id": "mp-1177426",
"created_at": "2022-09-04T14:39:06.752068Z",
"structure_string": "Li4 Fe3 Cu2 Sn3 O16\n1.0\n6.132694 0.009000 0.007632\n-3.058552 5.297499 0.000009\n0.012386 0.007170 9.680245\nLi Fe Cu Sn O\n4 3 2 3 16\ndirect\n0.339727 0.669881 0.889414 Li\n0.979959 0.989978 0.992584 Li\n0.985292 0.992668 0.500094 Li\n0.668654 0.334355 0.395736 Li\n0.663787 0.831908 0.212988 Fe\n0.831722 0.661719 0.712540 Fe\n0.831723 0.170030 0.712544 Fe\n0.338943 0.669475 0.489483 Cu\n0.675098 0.337577 0.984603 Cu\n0.171045 0.831715 0.213358 Sn\n0.171039 0.339335 0.213353 Sn\n0.342467 0.171247 0.712754 Sn\n0.159257 0.830892 0.599438 O\n0.035778 0.517891 0.345393 O\n0.341197 0.670607 0.096415 O\n0.993611 0.996812 0.315842 O\n0.991738 0.995859 0.808427 O\n0.159251 0.328383 0.599445 O\n0.486205 0.960681 0.344080 O\n0.486203 0.525538 0.344074 O\n0.322815 0.161415 0.094037 O\n0.668524 0.834288 0.607037 O\n0.528671 0.486602 0.843215 O\n0.528670 0.042090 0.843207 O\n0.678873 0.339482 0.600406 O\n0.830977 0.671428 0.100368 O\n0.957796 0.478890 0.836641 O\n0.830975 0.159556 0.100361 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Fe",
"Cu",
"Sn",
"O"
],
"chemical_system": "Cu-Fe-Li-O-Sn",
"density": 4.930128903442078,
"density_atomic": 0.08895750725871508,
"volume": 314.75702122101524,
"volume_molar": 6.7696824535402165,
"formula_full": "Li4 Fe3 Cu2 Sn3 O16",
"formula_reduced": "Li4Fe3Cu2Sn3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -180.43089486,
"energy_per_atom": -6.4439605307142855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -162.67089486,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.7089323,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.088000Z",
"spacegroup": 8
},
{
"id": "mp-849709",
"created_at": "2022-09-04T14:39:06.109194Z",
"structure_string": "Li4 Ti3 V2 Cu3 O16\n1.0\n2.959434 5.122263 0.000000\n-2.959434 5.122263 0.000000\n0.000000 0.173945 9.734021\nLi Ti V Cu O\n4 3 2 3 16\ndirect\n0.673364 0.673364 0.093504 Li\n0.993014 0.993014 0.016210 Li\n0.996917 0.996917 0.506354 Li\n0.335384 0.335384 0.593816 Li\n0.345439 0.846052 0.777546 Ti\n0.846052 0.345439 0.777546 Ti\n0.181532 0.181532 0.262924 Ti\n0.661664 0.661664 0.500835 V\n0.361626 0.361626 0.013817 V\n0.828733 0.828733 0.791058 Cu\n0.172633 0.662158 0.296823 Cu\n0.662158 0.172633 0.296823 Cu\n0.350388 0.826697 0.413274 O\n0.517157 0.517157 0.665821 O\n0.661941 0.661941 0.890805 O\n0.995067 0.995067 0.697223 O\n0.000383 0.000383 0.210128 O\n0.826697 0.350388 0.413274 O\n0.496017 0.962727 0.652406 O\n0.962727 0.496017 0.652406 O\n0.159953 0.159953 0.895120 O\n0.817482 0.817482 0.429864 O\n0.036548 0.470869 0.149591 O\n0.470869 0.036548 0.149591 O\n0.329270 0.329270 0.388295 O\n0.181508 0.650855 0.911891 O\n0.483953 0.483953 0.133313 O\n0.650855 0.181508 0.911891 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Ti",
"V",
"Cu",
"O"
],
"chemical_system": "Cu-Li-O-Ti-V",
"density": 4.050552138802368,
"density_atomic": 0.09487793516115617,
"volume": 295.1160346443062,
"volume_molar": 6.347251075575173,
"formula_full": "Li4 Ti3 V2 Cu3 O16",
"formula_reduced": "Li4Ti3V2Cu3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -207.58149,
"energy_per_atom": -7.413624642857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -193.18949,
"band_gap": 0.0549999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0004355,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.155000Z",
"spacegroup": 8
},
{
"id": "mp-772989",
"created_at": "2022-09-04T14:39:06.226724Z",
"structure_string": "Li4 Ti2 Mn3 Sn3 O16\n1.0\n3.080236 5.346881 0.000000\n-3.080236 5.346881 0.000000\n0.000000 0.167272 9.736095\nLi Ti Mn Sn O\n4 2 3 3 16\ndirect\n0.676007 0.676007 0.896863 Li\n0.987032 0.987032 0.988488 Li\n0.992270 0.992270 0.499858 Li\n0.332482 0.332482 0.398124 Li\n0.672139 0.672139 0.499181 Ti\n0.349890 0.349890 0.982195 Ti\n0.825762 0.825762 0.219412 Mn\n0.661851 0.173889 0.711975 Mn\n0.173889 0.661851 0.711975 Mn\n0.829355 0.333941 0.211412 Sn\n0.333941 0.829355 0.211412 Sn\n0.172700 0.172700 0.715716 Sn\n0.839307 0.337057 0.591008 O\n0.514196 0.514196 0.342440 O\n0.658897 0.658897 0.095353 O\n0.001719 0.001719 0.316836 O\n0.996261 0.996261 0.801718 O\n0.337057 0.839307 0.591008 O\n0.951624 0.527952 0.339498 O\n0.527952 0.951624 0.339498 O\n0.157483 0.157483 0.091922 O\n0.820738 0.820738 0.583678 O\n0.479024 0.045985 0.848300 O\n0.045985 0.479024 0.848300 O\n0.339164 0.339164 0.604651 O\n0.666464 0.150588 0.099848 O\n0.483569 0.483569 0.866138 O\n0.150588 0.666464 0.099848 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Ti",
"Mn",
"Sn",
"O"
],
"chemical_system": "Li-Mn-O-Sn-Ti",
"density": 4.66230806954869,
"density_atomic": 0.08730894127323484,
"volume": 320.7002580912477,
"volume_molar": 6.897507485692223,
"formula_full": "Li4 Ti2 Mn3 Sn3 O16",
"formula_reduced": "Li4Ti2Mn3Sn3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -209.23338537,
"energy_per_atom": -7.472620906071429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -193.23738537,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.0015349,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.099000Z",
"spacegroup": 8
},
{
"id": "mp-770954",
"created_at": "2022-09-04T14:39:08.626334Z",
"structure_string": "Li4 Nb2 V3 Cr3 O16\n1.0\n3.002132 5.218525 0.000000\n-3.002132 5.218525 0.000000\n0.000000 0.087820 9.683476\nLi Nb V Cr O\n4 2 3 3 16\ndirect\n0.666513 0.666513 0.098906 Li\n0.000548 0.000548 0.007863 Li\n0.001254 0.001254 0.508036 Li\n0.332462 0.332462 0.602271 Li\n0.665872 0.665872 0.506939 Nb\n0.331161 0.331161 0.005426 Nb\n0.828708 0.828708 0.782296 V\n0.171770 0.656855 0.283869 V\n0.656855 0.171770 0.283869 V\n0.340905 0.828753 0.785313 Cr\n0.828753 0.340905 0.785313 Cr\n0.169414 0.169414 0.285288 Cr\n0.335581 0.832473 0.406606 O\n0.519604 0.519604 0.660739 O\n0.667324 0.667324 0.891230 O\n0.999269 0.999269 0.694735 O\n0.999619 0.999619 0.195327 O\n0.832473 0.335581 0.406606 O\n0.516023 0.959142 0.656474 O\n0.959142 0.516023 0.656474 O\n0.166211 0.166211 0.904580 O\n0.832182 0.832182 0.408650 O\n0.040446 0.476588 0.157301 O\n0.476588 0.040446 0.157301 O\n0.332741 0.332741 0.391985 O\n0.170325 0.663880 0.907404 O\n0.479708 0.479708 0.154556 O\n0.663880 0.170325 0.907404 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Nb",
"V",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Nb-O-V",
"density": 4.259924630885123,
"density_atomic": 0.09228246849588818,
"volume": 303.4162442376321,
"volume_molar": 6.525769041676997,
"formula_full": "Li4 Nb2 V3 Cr3 O16",
"formula_reduced": "Li4Nb2V3Cr3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -236.13930603,
"energy_per_atom": -8.43354664392857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -214.05030603,
"band_gap": 1.1347999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.000031,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.272000Z",
"spacegroup": 8
},
{
"id": "mp-761119",
"created_at": "2022-09-04T14:41:57.233118Z",
"structure_string": "Li4 Nb3 Fe2 Ni3 O16\n1.0\n3.028814 5.191479 0.000000\n-3.028814 5.191479 0.000000\n0.000000 0.165883 9.794407\nLi Nb Fe Ni O\n4 3 2 3 16\ndirect\n0.334327 0.334327 0.883702 Li\n0.021634 0.021634 0.986705 Li\n0.007878 0.007878 0.504696 Li\n0.668023 0.668023 0.402114 Li\n0.661108 0.164269 0.215102 Nb\n0.164269 0.661108 0.215102 Nb\n0.824888 0.824888 0.717677 Nb\n0.323532 0.323532 0.511816 Fe\n0.648191 0.648191 0.977981 Fe\n0.173507 0.173507 0.212569 Ni\n0.832396 0.341407 0.712742 Ni\n0.341407 0.832396 0.712742 Ni\n0.664350 0.147887 0.596525 O\n0.488286 0.488286 0.328029 O\n0.343119 0.343119 0.096613 O\n0.997767 0.997767 0.317088 O\n0.004379 0.004379 0.802038 O\n0.147887 0.664350 0.596525 O\n0.489061 0.039026 0.341480 O\n0.039026 0.489061 0.341480 O\n0.841034 0.841034 0.102869 O\n0.161979 0.161979 0.606532 O\n0.967735 0.527926 0.847292 O\n0.527926 0.967735 0.847292 O\n0.664482 0.664482 0.603981 O\n0.827720 0.327601 0.098448 O\n0.520712 0.520712 0.829860 O\n0.327601 0.827720 0.098448 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Nb",
"Fe",
"Ni",
"O"
],
"chemical_system": "Fe-Li-Nb-Ni-O",
"density": 4.583747566113925,
"density_atomic": 0.09090466760832307,
"volume": 308.0149868722073,
"volume_molar": 6.6246771683356585,
"formula_full": "Li4 Nb3 Fe2 Ni3 O16",
"formula_reduced": "Li4Nb3Fe2Ni3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -211.72124045,
"energy_per_atom": -7.561472873214286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -188.59424045,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.999062,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.704000Z",
"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,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -167.1681322,
"band_gap": 0.375,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.9977961,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.678000Z",
"spacegroup": 8
},
{
"id": "mp-763763",
"created_at": "2022-09-04T14:42:29.152948Z",
"structure_string": "Li4 Cr3 Fe2 Co3 O16\n1.0\n5.806008 0.000000 0.000000\n-2.820056 5.078538 0.000000\n-0.145477 -0.113991 9.500832\nLi Cr Fe Co O\n4 3 2 3 16\ndirect\n0.672321 0.328500 0.107971 Li\n0.993426 0.005118 0.003673 Li\n0.993436 0.005394 0.502384 Li\n0.338340 0.668299 0.605693 Li\n0.338740 0.170373 0.786278 Cr\n0.830987 0.665395 0.788001 Cr\n0.170324 0.827408 0.285532 Cr\n0.663078 0.333680 0.509431 Fe\n0.331509 0.662719 0.009937 Fe\n0.829818 0.171585 0.783542 Co\n0.168295 0.336152 0.284511 Co\n0.662953 0.828804 0.286823 Co\n0.319923 0.155488 0.401202 O\n0.526711 0.489139 0.664682 O\n0.679426 0.330954 0.893368 O\n0.989871 0.005143 0.690025 O\n0.989321 0.982690 0.191062 O\n0.832326 0.677317 0.397947 O\n0.533197 0.040464 0.662968 O\n0.963881 0.480336 0.666087 O\n0.153622 0.830712 0.897594 O\n0.826714 0.154898 0.390241 O\n0.039466 0.524967 0.163003 O\n0.488069 0.959532 0.165427 O\n0.344928 0.680465 0.392886 O\n0.154348 0.324309 0.901059 O\n0.491780 0.525128 0.167210 O\n0.672889 0.834731 0.893619 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Cr",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Cr-Fe-Li-O",
"density": 4.31659249443978,
"density_atomic": 0.09994936892885194,
"volume": 280.14183881372526,
"volume_molar": 6.025191378933875,
"formula_full": "Li4 Cr3 Fe2 Co3 O16",
"formula_reduced": "Li4Cr3Fe2Co3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -204.39863548,
"energy_per_atom": -7.299951267142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -177.98363548,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 23.00253,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.748000Z",
"spacegroup": 1
},
{
"id": "mp-1661840",
"created_at": "2022-09-04T14:42:40.030574Z",
"structure_string": "Li8 V6 Sn6 Sb4 O32\n1.0\n3.154745 5.405862 0.025015\n-9.366665 5.349670 -0.023389\n0.039927 0.024316 10.267301\nLi V Sn Sb O\n8 6 6 4 32\ndirect\n0.509893 0.165664 0.891142 Li\n0.002489 0.663681 0.892985 Li\n0.988063 0.003794 0.991443 Li\n0.488141 0.504057 0.993809 Li\n0.994222 0.002421 0.497728 Li\n0.491494 0.502284 0.499021 Li\n0.494492 0.832870 0.398966 Li\n0.000819 0.335418 0.395722 Li\n0.746576 0.084903 0.216449 V\n0.245632 0.584349 0.216863 V\n0.250101 0.414364 0.718671 V\n0.743227 0.914935 0.712642 V\n0.498121 0.669508 0.717046 V\n0.001292 0.168502 0.712646 V\n0.499341 0.331345 0.215869 Sn\n0.001077 0.832364 0.214872 Sn\n0.252880 0.084453 0.215697 Sn\n0.751562 0.582839 0.215367 Sn\n0.247047 0.914288 0.716585 Sn\n0.756653 0.418663 0.714674 Sn\n0.507531 0.164418 0.500513 Sb\n0.994823 0.668324 0.496683 Sb\n0.503230 0.831802 0.991009 Sb\n0.004953 0.331932 0.992547 Sb\n0.497511 0.349305 0.604512 O\n0.986857 0.844946 0.600776 O\n0.268263 0.243650 0.334445 O\n0.775336 0.741286 0.343524 O\n0.497391 0.167295 0.103152 O\n0.994882 0.668106 0.104032 O\n0.499601 0.499447 0.318507 O\n0.000461 0.999955 0.317489 O\n0.997985 0.998270 0.813298 O\n0.502913 0.501157 0.815629 O\n0.229768 0.078251 0.603812 O\n0.722407 0.583466 0.601232 O\n0.732135 0.242112 0.325236 O\n0.228812 0.742446 0.326370 O\n0.503814 0.013565 0.327609 O\n0.000798 0.514137 0.325055 O\n0.230383 0.924002 0.095212 O\n0.730083 0.422428 0.095035 O\n0.775268 0.075047 0.609818 O\n0.286127 0.571876 0.622696 O\n0.505886 0.981560 0.830165 O\n0.014751 0.485950 0.829559 O\n0.275488 0.750624 0.830680 O\n0.782757 0.255953 0.828317 O\n0.487073 0.824246 0.608470 O\n0.013023 0.343350 0.608092 O\n0.768560 0.924469 0.106572 O\n0.269637 0.426199 0.106350 O\n0.713954 0.746525 0.819118 O\n0.241292 0.268520 0.819028 O\n0.496949 0.652397 0.108161 O\n0.996477 0.152581 0.104776 O\n",
"nsites": 56,
"nelements": 5,
"elements": [
"Li",
"V",
"Sn",
"Sb",
"O"
],
"chemical_system": "Li-O-Sb-Sn-V",
"density": 4.964872893416133,
"density_atomic": 0.08079069943328182,
"volume": 693.1490925665973,
"volume_molar": 7.454002505539856,
"formula_full": "Li8 V6 Sn6 Sb4 O32",
"formula_reduced": "Li4V3Sn3(SbO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -391.16130882,
"energy_per_atom": -6.985023371785714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -358.97730882,
"band_gap": 0.9413,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9997771,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.049000Z",
"spacegroup": 1
},
{
"id": "mp-757815",
"created_at": "2022-09-04T14:42:29.335338Z",
"structure_string": "Li4 Cr3 Ni3 W2 O16\n1.0\n2.985767 5.124969 0.000000\n-2.985767 5.124969 0.000000\n0.000000 0.074220 9.652357\nLi Cr Ni W O\n4 3 3 2 16\ndirect\n0.335128 0.335128 0.906980 Li\n0.000558 0.000558 0.986857 Li\n0.999452 0.999452 0.491877 Li\n0.668775 0.668775 0.405550 Li\n0.167087 0.658803 0.214819 Cr\n0.658803 0.167087 0.214819 Cr\n0.824882 0.824882 0.722377 Cr\n0.169729 0.169729 0.214823 Ni\n0.339333 0.828850 0.711340 Ni\n0.828850 0.339333 0.711340 Ni\n0.330392 0.330392 0.487231 W\n0.660977 0.660977 0.989309 W\n0.166158 0.652431 0.590292 O\n0.480960 0.480960 0.343412 O\n0.336322 0.336322 0.107645 O\n0.996981 0.996981 0.305893 O\n0.990349 0.990349 0.796248 O\n0.652431 0.166158 0.590292 O\n0.039467 0.487468 0.349902 O\n0.487468 0.039467 0.349902 O\n0.827813 0.827813 0.093607 O\n0.170485 0.170485 0.584954 O\n0.535524 0.961771 0.849097 O\n0.961771 0.535524 0.849097 O\n0.679673 0.679673 0.610969 O\n0.341911 0.825628 0.087735 O\n0.522443 0.522443 0.853822 O\n0.825628 0.341911 0.087735 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Cr",
"Ni",
"W",
"O"
],
"chemical_system": "Cr-Li-Ni-O-W",
"density": 5.528587836210656,
"density_atomic": 0.09478672168890624,
"volume": 295.4000254581766,
"volume_molar": 6.353359049345438,
"formula_full": "Li4 Cr3 Ni3 W2 O16",
"formula_reduced": "Li4Cr3Ni3(WO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -216.49626667,
"energy_per_atom": -7.732009523928572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -183.00826667,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0007314,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.094000Z",
"spacegroup": 8
},
{
"id": "mp-776860",
"created_at": "2022-09-04T14:42:37.722705Z",
"structure_string": "Li4 Fe3 Co3 W2 O16\n1.0\n5.938327 0.000000 0.000000\n2.948927 5.156912 0.000000\n0.166063 0.080642 9.786493\nLi Fe Co W O\n4 3 3 2 16\ndirect\n0.663958 0.665798 0.089377 Li\n0.003359 0.000188 0.010957 Li\n0.002634 0.006169 0.514308 Li\n0.326874 0.324726 0.591834 Li\n0.824944 0.832987 0.780665 Fe\n0.657767 0.166135 0.284365 Fe\n0.166695 0.657718 0.285904 Fe\n0.822423 0.343383 0.787338 Co\n0.340285 0.827992 0.788630 Co\n0.170124 0.171130 0.286236 Co\n0.655612 0.659840 0.514995 W\n0.329175 0.336177 0.012581 W\n0.826258 0.346982 0.411864 O\n0.519353 0.506388 0.642205 O\n0.668287 0.657560 0.884868 O\n0.001348 0.011292 0.703246 O\n0.999461 0.998342 0.198923 O\n0.345850 0.822204 0.412565 O\n0.957024 0.515295 0.656512 O\n0.521568 0.956570 0.650649 O\n0.175012 0.178665 0.918945 O\n0.831183 0.826035 0.414612 O\n0.493009 0.039152 0.144541 O\n0.037622 0.494966 0.145576 O\n0.338085 0.336136 0.391498 O\n0.661998 0.177355 0.907495 O\n0.482549 0.481426 0.152815 O\n0.177842 0.659089 0.908654 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Fe",
"Co",
"W",
"O"
],
"chemical_system": "Co-Fe-Li-O-W",
"density": 5.517302217886922,
"density_atomic": 0.0934280129568012,
"volume": 299.69598104314287,
"volume_molar": 6.445754939457493,
"formula_full": "Li4 Fe3 Co3 W2 O16",
"formula_reduced": "Li4Fe3Co3(WO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -212.04079557,
"energy_per_atom": -7.572885556071428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -180.49079557,
"band_gap": 0.5912999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 24.998912,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.690000Z",
"spacegroup": 1
},
{
"id": "mp-776269",
"created_at": "2022-09-04T14:42:12.413203Z",
"structure_string": "Li4 Mn3 Cr3 Co2 O16\n1.0\n2.926445 5.063347 0.000000\n-2.926445 5.063347 0.000000\n0.000000 0.101173 9.649271\nLi Mn Cr Co O\n4 3 3 2 16\ndirect\n0.332262 0.332262 0.104444 Li\n0.996325 0.996325 0.002887 Li\n0.997127 0.997127 0.503246 Li\n0.667871 0.667871 0.603856 Li\n0.169708 0.169708 0.784972 Mn\n0.831227 0.335505 0.285626 Mn\n0.335505 0.831227 0.285626 Mn\n0.663570 0.170550 0.785546 Cr\n0.170550 0.663570 0.785546 Cr\n0.830098 0.830098 0.285591 Cr\n0.332052 0.332052 0.505631 Co\n0.665904 0.665904 0.006623 Co\n0.682135 0.154333 0.394250 O\n0.484519 0.484519 0.675023 O\n0.328396 0.328396 0.894122 O\n0.006263 0.006263 0.686573 O\n0.004001 0.004001 0.187729 O\n0.154333 0.682135 0.394250 O\n0.484985 0.037690 0.669623 O\n0.037690 0.484985 0.669623 O\n0.839235 0.839235 0.891377 O\n0.156694 0.156694 0.394515 O\n0.967258 0.517513 0.173292 O\n0.517513 0.967258 0.173292 O\n0.659829 0.659829 0.392402 O\n0.838764 0.314224 0.894641 O\n0.519079 0.519079 0.167861 O\n0.314224 0.838764 0.894641 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Cr",
"Co",
"O"
],
"chemical_system": "Co-Cr-Li-Mn-O",
"density": 4.195060610325208,
"density_atomic": 0.0979164082139704,
"volume": 285.9582016000159,
"volume_molar": 6.150287648256261,
"formula_full": "Li4 Mn3 Cr3 Co2 O16",
"formula_reduced": "Li4Mn3Cr3(CoO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -212.67139624,
"energy_per_atom": -7.595407008571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -187.40239624,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 21.0001667,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.182000Z",
"spacegroup": 8
},
{
"id": "mp-763519",
"created_at": "2022-09-04T14:42:18.389586Z",
"structure_string": "Li4 Mn3 Nb2 Co3 O16\n1.0\n-5.871621 0.000000 0.000000\n2.917908 5.203209 0.000000\n-0.038080 -0.234640 -9.703877\nLi Mn Nb Co O\n4 3 2 3 16\ndirect\n0.339721 0.684206 0.100002 Li\n0.004470 0.009163 0.007168 Li\n0.995069 0.984039 0.510069 Li\n0.661217 0.325946 0.597199 Li\n0.174500 0.345971 0.784636 Mn\n0.336436 0.166742 0.283412 Mn\n0.830786 0.166195 0.284002 Mn\n0.331143 0.662695 0.508757 Nb\n0.687922 0.371757 0.006279 Nb\n0.175868 0.837454 0.786453 Co\n0.661594 0.839592 0.784738 Co\n0.826968 0.653134 0.285252 Co\n0.136020 0.789733 0.407636 O\n0.465087 0.955348 0.647431 O\n0.323407 0.668730 0.886426 O\n0.014633 0.007438 0.699658 O\n0.992293 0.982297 0.196133 O\n0.654634 0.792770 0.409890 O\n0.028903 0.489844 0.661942 O\n0.460721 0.492845 0.660669 O\n0.852157 0.683681 0.903365 O\n0.153018 0.307265 0.404979 O\n0.538106 0.508446 0.156055 O\n0.969531 0.506233 0.156765 O\n0.666907 0.335038 0.384586 O\n0.339822 0.193917 0.908800 O\n0.523678 0.045614 0.160213 O\n0.855091 0.193910 0.909648 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Nb",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-Nb-O",
"density": 4.543517802880966,
"density_atomic": 0.09444597675812827,
"volume": 296.465778226919,
"volume_molar": 6.37628088216232,
"formula_full": "Li4 Mn3 Nb2 Co3 O16",
"formula_reduced": "Li4Mn3Nb2Co3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -216.31911304,
"energy_per_atom": -7.725682608571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -195.40911304,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9980622,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.023000Z",
"spacegroup": 1
}
]
}