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=is_magnetic&page=12177",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=12175",
"results": [
{
"id": "mp-763303",
"created_at": "2022-09-04T14:39:19.222088Z",
"structure_string": "Mn6 O10 F2\n1.0\n4.555156 0.000000 0.000000\n0.000000 4.556730 0.000000\n0.000000 0.000000 9.028973\nMn O F\n6 10 2\ndirect\n0.010081 0.745881 0.674109 Mn\n0.980225 0.730389 0.000000 Mn\n0.010081 0.745881 0.325891 Mn\n0.480225 0.269611 0.500000 Mn\n0.510081 0.254119 0.825891 Mn\n0.510081 0.254119 0.174109 Mn\n0.196417 0.553730 0.836101 O\n0.196417 0.553730 0.163899 O\n0.189476 0.561812 0.500000 O\n0.696417 0.446270 0.663899 O\n0.689476 0.438188 0.000000 O\n0.696417 0.446270 0.336101 O\n0.307954 0.059111 0.665262 O\n0.307954 0.059111 0.334738 O\n0.807954 0.940889 0.834738 O\n0.807954 0.940889 0.165262 O\n0.301402 0.049614 0.000000 F\n0.801402 0.950386 0.500000 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.67492536315779,
"density_atomic": 0.09604562785381306,
"volume": 187.41092543428454,
"volume_molar": 6.2700831829284756,
"formula_full": "Mn6 O10 F2",
"formula_reduced": "Mn3O5F",
"formula_anonymous": "AB3C5",
"energy": -143.20460357,
"energy_per_atom": -7.955811309444444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -125.40260357,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0003927,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.364000Z",
"spacegroup": 31
},
{
"id": "mp-1220663",
"created_at": "2022-09-04T14:39:19.228737Z",
"structure_string": "Nb3 Mo1 Se8\n1.0\n3.446529 0.000000 0.000000\n0.000000 5.974673 0.000000\n0.000000 2.150447 13.456640\nNb Mo Se\n3 1 8\ndirect\n0.000000 0.667334 0.501117 Nb\n0.500000 0.672106 0.000994 Nb\n0.500000 0.166527 0.501582 Nb\n0.000000 0.160822 0.001318 Mo\n0.500000 0.284435 0.123419 Se\n0.500000 0.786667 0.628214 Se\n0.000000 0.792105 0.126825 Se\n0.000000 0.287610 0.627845 Se\n0.000000 0.883005 0.874980 Se\n0.500000 0.878772 0.374178 Se\n0.500000 0.371140 0.878974 Se\n0.000000 0.378078 0.374553 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nb",
"Mo",
"Se"
],
"chemical_system": "Mo-Nb-Se",
"density": 6.030603141838688,
"density_atomic": 0.043306046111335296,
"volume": 277.0975666803952,
"volume_molar": 13.906004590023546,
"formula_full": "Nb3 Mo1 Se8",
"formula_reduced": "Nb3MoSe8",
"formula_anonymous": "AB3C8",
"energy": -82.35188219,
"energy_per_atom": -6.862656849166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.57588219,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6129054,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.275000Z",
"spacegroup": 6
},
{
"id": "mp-1021344",
"created_at": "2022-09-04T14:39:19.248084Z",
"structure_string": "Mg12 Ti2 Nb2\n1.0\n5.027168 0.000000 0.000000\n0.000000 6.102788 0.000000\n0.000000 0.000000 10.908792\nMg Ti Nb\n12 2 2\ndirect\n0.500000 0.250835 0.418101 Mg\n0.500000 0.749165 0.418101 Mg\n0.000000 0.746972 0.089642 Mg\n0.000000 0.253028 0.089642 Mg\n0.000000 0.000000 0.326865 Mg\n0.000000 0.500000 0.324366 Mg\n0.500000 0.750835 0.918101 Mg\n0.500000 0.249165 0.918101 Mg\n0.000000 0.246972 0.589642 Mg\n0.000000 0.753028 0.589642 Mg\n0.000000 0.500000 0.826865 Mg\n0.000000 0.000000 0.824366 Mg\n0.500000 0.000000 0.166593 Ti\n0.500000 0.500000 0.666593 Ti\n0.500000 0.500000 0.166687 Nb\n0.500000 0.000000 0.666687 Nb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"Nb"
],
"chemical_system": "Mg-Nb-Ti",
"density": 2.8440161446159156,
"density_atomic": 0.04780701623967815,
"volume": 334.67890821265183,
"volume_molar": 12.596771841623184,
"formula_full": "Mg12 Ti2 Nb2",
"formula_reduced": "Mg6TiNb",
"formula_anonymous": "ABC6",
"energy": -51.4752861,
"energy_per_atom": -3.21720538125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.4752861,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.6258289,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.031000Z",
"spacegroup": 38
},
{
"id": "mp-752703",
"created_at": "2022-09-04T14:39:19.250366Z",
"structure_string": "Li2 Co1 Ni3 O8\n1.0\n4.914390 -2.860106 0.000000\n4.914390 2.860106 0.000000\n3.249849 0.000000 4.665824\nLi Co Ni O\n2 1 3 8\ndirect\n0.875500 0.875500 0.875500 Li\n0.124500 0.124500 0.124500 Li\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.289825 0.735353 0.735353 O\n0.735353 0.289825 0.735353 O\n0.262544 0.262544 0.262544 O\n0.735353 0.735353 0.289825 O\n0.264647 0.264647 0.710175 O\n0.737456 0.737456 0.737456 O\n0.264647 0.710175 0.264647 O\n0.710175 0.264647 0.264647 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"Ni",
"O"
],
"chemical_system": "Co-Li-Ni-O",
"density": 4.771493115690355,
"density_atomic": 0.10673772441358925,
"volume": 131.16262387000634,
"volume_molar": 5.641998452829386,
"formula_full": "Li2 Co1 Ni3 O8",
"formula_reduced": "Li2CoNi3O8",
"formula_anonymous": "AB2C3D8",
"energy": -85.79748698,
"energy_per_atom": -6.128391927142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.04048698,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0027865,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.724000Z",
"spacegroup": 166
},
{
"id": "mp-864636",
"created_at": "2022-09-04T14:39:19.263582Z",
"structure_string": "Ce1 Fe1 O3\n1.0\n3.933579 0.000000 0.000000\n0.000000 3.933579 0.000000\n0.000000 0.000000 3.933579\nCe Fe O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Fe",
"O"
],
"chemical_system": "Ce-Fe-O",
"density": 6.6558368488298125,
"density_atomic": 0.0821497742103999,
"volume": 60.86443995809566,
"volume_molar": 7.330684494124411,
"formula_full": "Ce1 Fe1 O3",
"formula_reduced": "CeFeO3",
"formula_anonymous": "ABC3",
"energy": -42.11477578,
"energy_per_atom": -8.422955156,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.79777578,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9202246,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.322000Z",
"spacegroup": 221
},
{
"id": "mp-1226518",
"created_at": "2022-09-04T14:39:19.325280Z",
"structure_string": "Ce1 Nd1 Al4\n1.0\n0.000000 3.984888 3.984888\n3.984888 0.000000 3.984888\n3.984888 3.984888 0.000000\nCe Nd Al\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ce\n0.000000 0.000000 0.000000 Nd\n0.624369 0.624369 0.126894 Al\n0.624369 0.126894 0.624369 Al\n0.126894 0.624369 0.624369 Al\n0.624369 0.624369 0.624369 Al\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Nd",
"Al"
],
"chemical_system": "Al-Ce-Nd",
"density": 5.1472055178630525,
"density_atomic": 0.04741032103222566,
"volume": 126.55472203872425,
"volume_molar": 12.702172499331194,
"formula_full": "Ce1 Nd1 Al4",
"formula_reduced": "CeNdAl4",
"formula_anonymous": "ABC4",
"energy": -28.45684723,
"energy_per_atom": -4.742807871666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.45684723,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5503692,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.516000Z",
"spacegroup": 216
},
{
"id": "mp-756894",
"created_at": "2022-09-04T14:39:19.338053Z",
"structure_string": "Li4 V4 O8\n1.0\n-0.001948 4.170533 4.234971\n4.167780 -4.286697 0.116279\n4.168386 4.287113 -0.120428\nLi V O\n4 4 8\ndirect\n0.249030 0.055453 0.055555 Li\n0.750977 0.944565 0.944448 Li\n0.500013 0.500008 0.999991 Li\n0.999995 0.000000 0.500005 Li\n0.499987 0.999986 0.500004 V\n0.500007 0.500006 0.500002 V\n0.000001 0.500009 0.999996 V\n0.999978 0.499963 0.500011 V\n0.506902 0.242557 0.252558 O\n0.997000 0.254572 0.243663 O\n0.002997 0.745418 0.756327 O\n0.493083 0.757445 0.747455 O\n0.533322 0.275059 0.711706 O\n0.963890 0.710656 0.276336 O\n0.466699 0.724952 0.288284 O\n0.036118 0.289350 0.723657 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"V",
"O"
],
"chemical_system": "Li-O-V",
"density": 3.8403245252706038,
"density_atomic": 0.10292229802306793,
"volume": 155.4570808010323,
"volume_molar": 5.8511526420156885,
"formula_full": "Li4 V4 O8",
"formula_reduced": "LiVO2",
"formula_anonymous": "ABC2",
"energy": -122.23888613,
"energy_per_atom": -7.639930383125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -109.94288613,
"band_gap": 1.1310000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0003926,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.956000Z",
"spacegroup": 74
},
{
"id": "mp-605912",
"created_at": "2022-09-04T14:39:19.264442Z",
"structure_string": "Al4 Ni2 Cl16\n1.0\n3.948403 8.646033 0.000000\n-3.948403 8.646033 0.000000\n0.000000 7.366597 8.854260\nAl Ni Cl\n4 2 16\ndirect\n0.329741 0.840106 0.968277 Al\n0.840106 0.329741 0.468277 Al\n0.159894 0.670259 0.531723 Al\n0.670259 0.159894 0.031723 Al\n0.003436 0.996564 0.250000 Ni\n0.996564 0.003436 0.750000 Ni\n0.315558 0.370286 0.554101 Cl\n0.691919 0.143162 0.218818 Cl\n0.150180 0.715833 0.187096 Cl\n0.131406 0.167747 0.487857 Cl\n0.849820 0.284167 0.812904 Cl\n0.832253 0.868594 0.012143 Cl\n0.868594 0.832253 0.512143 Cl\n0.715833 0.150180 0.687096 Cl\n0.167747 0.131406 0.987857 Cl\n0.629714 0.684442 0.945899 Cl\n0.143162 0.691919 0.718818 Cl\n0.856838 0.308081 0.281182 Cl\n0.370286 0.315558 0.054101 Cl\n0.284167 0.849820 0.312904 Cl\n0.684442 0.629714 0.445899 Cl\n0.308081 0.856838 0.781182 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Al",
"Ni",
"Cl"
],
"chemical_system": "Al-Cl-Ni",
"density": 2.1770135999494786,
"density_atomic": 0.03639167560245079,
"volume": 604.533856597645,
"volume_molar": 16.548127175530333,
"formula_full": "Al4 Ni2 Cl16",
"formula_reduced": "Al2NiCl8",
"formula_anonymous": "AB2C8",
"energy": -93.71310954,
"energy_per_atom": -4.259686797272727,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.88910954,
"band_gap": 0.5434000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0044876,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:43.197000Z",
"spacegroup": 15
},
{
"id": "mp-1197130",
"created_at": "2022-09-04T14:39:19.373750Z",
"structure_string": "Ca2 Al4 Si12 O40\n1.0\n14.140683 0.000000 0.000000\n0.000000 6.874869 0.000000\n0.000000 3.663060 9.449662\nCa Al Si O\n2 4 12 40\ndirect\n0.216208 0.954933 0.926555 Ca\n0.783792 0.954933 0.426555 Ca\n0.007584 0.001227 0.500505 Al\n0.992416 0.001227 0.000505 Al\n0.355962 0.605777 0.150308 Al\n0.644038 0.605777 0.650308 Al\n0.150156 0.658117 0.483565 Si\n0.849844 0.658117 0.983565 Si\n0.037583 0.291254 0.692112 Si\n0.962417 0.291254 0.192112 Si\n0.124768 0.591843 0.192934 Si\n0.875232 0.591843 0.692934 Si\n0.475210 0.975478 0.939053 Si\n0.524790 0.975478 0.439053 Si\n0.372852 0.642000 0.461973 Si\n0.627148 0.642000 0.961973 Si\n0.499877 0.260553 0.121709 Si\n0.500123 0.260553 0.621709 Si\n0.102481 0.882205 0.452893 O\n0.897519 0.882205 0.952893 O\n0.044451 0.146057 0.598588 O\n0.955549 0.146057 0.098588 O\n0.078719 0.811726 0.088579 O\n0.921281 0.811726 0.588579 O\n0.112097 0.486494 0.633782 O\n0.887903 0.486494 0.133782 O\n0.124178 0.571885 0.357178 O\n0.875822 0.571885 0.857178 O\n0.069161 0.389179 0.183883 O\n0.930839 0.389179 0.683883 O\n0.065298 0.150464 0.855629 O\n0.934702 0.150464 0.355629 O\n0.263598 0.669860 0.498640 O\n0.736402 0.669860 0.998640 O\n0.231602 0.606093 0.128934 O\n0.768398 0.606093 0.628934 O\n0.431531 0.829522 0.488531 O\n0.568469 0.829522 0.988531 O\n0.482570 0.165724 0.997870 O\n0.517430 0.165724 0.497870 O\n0.379561 0.837761 0.999776 O\n0.620439 0.837761 0.499776 O\n0.410098 0.420726 0.578924 O\n0.589902 0.420726 0.078924 O\n0.386729 0.645748 0.303679 O\n0.613271 0.645748 0.803679 O\n0.405463 0.380533 0.139018 O\n0.594537 0.380533 0.639018 O\n0.468627 0.071782 0.766834 O\n0.531373 0.071782 0.266834 O\n0.249404 0.022917 0.677781 O\n0.750596 0.022917 0.177781 O\n0.235572 0.101203 0.115710 O\n0.764428 0.101203 0.615710 O\n0.284559 0.304660 0.840294 O\n0.715441 0.304660 0.340294 O\n0.153740 0.661480 0.868462 O\n0.846260 0.661480 0.368462 O\n",
"nsites": 58,
"nelements": 4,
"elements": [
"Ca",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Ca-O-Si",
"density": 2.105985151274605,
"density_atomic": 0.06313597696819265,
"volume": 918.65213441173,
"volume_molar": 9.538366315348064,
"formula_full": "Ca2 Al4 Si12 O40",
"formula_reduced": "CaAl2(Si3O10)2",
"formula_anonymous": "AB2C6D20",
"energy": -432.12444706,
"energy_per_atom": -7.450421501034483,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -404.64444706,
"band_gap": 0.0304999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0055467,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:41.589000Z",
"spacegroup": 7
},
{
"id": "mp-1248380",
"created_at": "2022-09-04T14:39:19.272904Z",
"structure_string": "Al10 Cu6 O24\n1.0\n2.882823 5.026362 0.000000\n-2.882823 5.026362 0.000000\n0.000000 0.085645 14.164886\nAl Cu O\n10 6 24\ndirect\n0.334301 0.334301 0.835766 Al\n0.665699 0.665699 0.164234 Al\n0.163681 0.163681 0.665925 Al\n0.836319 0.836319 0.334075 Al\n0.831202 0.334832 0.836153 Al\n0.500000 0.000000 0.500000 Al\n0.168798 0.665168 0.163847 Al\n0.334832 0.831202 0.836153 Al\n0.000000 0.500000 0.500000 Al\n0.665168 0.168798 0.163847 Al\n0.832637 0.832637 0.956947 Cu\n0.501533 0.501533 0.620208 Cu\n0.164551 0.164551 0.294068 Cu\n0.835449 0.835449 0.705932 Cu\n0.498467 0.498467 0.379792 Cu\n0.167363 0.167363 0.043053 Cu\n0.021029 0.460306 0.754717 O\n0.657870 0.135167 0.414399 O\n0.341152 0.818567 0.098112 O\n0.181433 0.658848 0.901888 O\n0.864833 0.342130 0.585601 O\n0.539694 0.978971 0.245283 O\n0.659188 0.659188 0.902183 O\n0.316109 0.316109 0.579488 O\n0.980108 0.980108 0.245373 O\n0.500161 0.500161 0.763385 O\n0.181917 0.181917 0.426714 O\n0.833642 0.833642 0.095298 O\n0.019892 0.019892 0.754627 O\n0.683891 0.683891 0.420512 O\n0.340812 0.340812 0.097817 O\n0.166358 0.166358 0.904702 O\n0.818083 0.818083 0.573286 O\n0.499839 0.499839 0.236615 O\n0.658848 0.181433 0.901888 O\n0.342130 0.864833 0.585601 O\n0.978971 0.539694 0.245283 O\n0.460306 0.021029 0.754717 O\n0.135167 0.657870 0.414399 O\n0.818567 0.341152 0.098112 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Al",
"Cu",
"O"
],
"chemical_system": "Al-Cu-O",
"density": 4.187038256301395,
"density_atomic": 0.09744177137241732,
"volume": 410.5015686457721,
"volume_molar": 6.1802455714641065,
"formula_full": "Al10 Cu6 O24",
"formula_reduced": "Al5(CuO4)3",
"formula_anonymous": "A3B5C12",
"energy": -273.12738668,
"energy_per_atom": -6.8281846669999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -256.63938668,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9982844,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.197000Z",
"spacegroup": 12
},
{
"id": "mp-753786",
"created_at": "2022-09-04T14:39:19.887964Z",
"structure_string": "Li2 Co4 P4 O16\n1.0\n6.691332 0.000000 0.000000\n0.000000 5.127179 0.000000\n0.000000 0.067717 10.508168\nLi Co P O\n2 4 4 16\ndirect\n0.231268 0.253611 0.660735 Li\n0.768732 0.253611 0.160735 Li\n0.467095 0.255886 0.910444 Co\n0.954688 0.751913 0.591291 Co\n0.532905 0.255886 0.410444 Co\n0.045312 0.751913 0.091291 Co\n0.230222 0.752008 0.827706 P\n0.729082 0.250896 0.675213 P\n0.769778 0.752008 0.327706 P\n0.270918 0.250896 0.175213 P\n0.045337 0.804438 0.915940 O\n0.415050 0.886249 0.880251 O\n0.705842 0.337112 0.813339 O\n0.260171 0.454245 0.815595 O\n0.760555 0.950150 0.667536 O\n0.180559 0.863469 0.690448 O\n0.922193 0.383753 0.616264 O\n0.538677 0.314606 0.595231 O\n0.954663 0.804438 0.415940 O\n0.584950 0.886249 0.380251 O\n0.294158 0.337112 0.313339 O\n0.739829 0.454245 0.315595 O\n0.239445 0.950150 0.167536 O\n0.819441 0.863469 0.190448 O\n0.077807 0.383753 0.116264 O\n0.461323 0.314606 0.095231 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Co",
"P",
"O"
],
"chemical_system": "Co-Li-O-P",
"density": 2.899525438985834,
"density_atomic": 0.07211992761295738,
"volume": 360.51062252215473,
"volume_molar": 8.350175824244777,
"formula_full": "Li2 Co4 P4 O16",
"formula_reduced": "LiCo2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -190.67171772,
"energy_per_atom": -7.3335276046153846,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -173.12771772,
"band_gap": 0.3112,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 13.9999708,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.558000Z",
"spacegroup": 7
},
{
"id": "mp-777053",
"created_at": "2022-09-04T14:39:19.955860Z",
"structure_string": "Li4 Mn3 Fe2 Sn3 O16\n1.0\n6.103796 0.000000 0.000000\n3.029174 5.324412 0.000000\n0.168986 0.029544 9.640162\nLi Mn Fe Sn O\n4 3 2 3 16\ndirect\n0.325406 0.332312 0.114198 Li\n0.018228 0.013260 0.006867 Li\n0.011154 0.010049 0.498572 Li\n0.661182 0.666502 0.604401 Li\n0.168401 0.169539 0.779757 Mn\n0.341942 0.830454 0.286197 Mn\n0.825117 0.340471 0.283245 Mn\n0.334181 0.326630 0.503979 Fe\n0.656400 0.662299 0.009962 Fe\n0.168651 0.658414 0.787611 Sn\n0.658815 0.168422 0.788670 Sn\n0.833041 0.828094 0.286646 Sn\n0.171479 0.674942 0.401619 O\n0.482644 0.477991 0.653508 O\n0.336936 0.340175 0.909005 O\n0.991729 0.989752 0.681445 O\n0.024784 0.987569 0.190789 O\n0.679697 0.169733 0.398584 O\n0.039096 0.470582 0.657646 O\n0.471189 0.039392 0.659861 O\n0.835736 0.837534 0.912623 O\n0.182378 0.152530 0.395399 O\n0.510080 0.957880 0.160761 O\n0.953358 0.508969 0.161453 O\n0.643416 0.680526 0.398103 O\n0.328056 0.843614 0.897143 O\n0.503247 0.535878 0.164448 O\n0.843357 0.326787 0.899670 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Fe",
"Sn",
"O"
],
"chemical_system": "Fe-Li-Mn-O-Sn",
"density": 4.857051949066114,
"density_atomic": 0.08937211493250131,
"volume": 313.29682665725346,
"volume_molar": 6.738277106397502,
"formula_full": "Li4 Mn3 Fe2 Sn3 O16",
"formula_reduced": "Li4Mn3Fe2Sn3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -199.60507131,
"energy_per_atom": -7.128752546785714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -179.09707131,
"band_gap": 0.2812999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 21.0008069,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.598000Z",
"spacegroup": 1
}
]
}