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=63",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=61",
"results": [
{
"id": "mp-1206425",
"created_at": "2022-09-04T14:46:29.187333Z",
"structure_string": "Co4 N1\n1.0\n3.724684 0.000000 0.000000\n0.000000 3.724684 0.000000\n0.000000 0.000000 3.724684\nCo N\n4 1\ndirect\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 N\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Co",
"N"
],
"chemical_system": "Co-N",
"density": 8.025424260994715,
"density_atomic": 0.09676130216802536,
"volume": 51.67355014835924,
"volume_molar": 6.223707851246764,
"formula_full": "Co4 N1",
"formula_reduced": "Co4N",
"formula_anonymous": "AB4",
"energy": -36.72002326,
"energy_per_atom": -7.344004652,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.35902326,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.3411679,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.072000Z",
"spacegroup": 221
},
{
"id": "mp-757250",
"created_at": "2022-09-04T14:46:31.282409Z",
"structure_string": "Li12 Mn6 Si12 O36\n1.0\n7.227428 0.000000 0.000000\n0.000000 10.081343 0.000000\n0.000000 0.000000 10.304252\nLi Mn Si O\n12 6 12 36\ndirect\n0.782202 0.243901 0.000000 Li\n0.761480 0.762617 0.000000 Li\n0.286400 0.451752 0.233396 Li\n0.222248 0.041289 0.237689 Li\n0.777752 0.541289 0.262311 Li\n0.713600 0.951752 0.266604 Li\n0.238520 0.262617 0.500000 Li\n0.217798 0.743901 0.500000 Li\n0.713600 0.951752 0.733396 Li\n0.777752 0.541289 0.737689 Li\n0.222248 0.041289 0.762311 Li\n0.286400 0.451752 0.766604 Li\n0.251724 0.246698 0.000000 Mn\n0.981449 0.011883 0.000000 Mn\n0.521829 0.480064 0.000000 Mn\n0.018551 0.511883 0.500000 Mn\n0.478171 0.980064 0.500000 Mn\n0.748276 0.746698 0.500000 Mn\n0.988021 0.527121 0.000000 Si\n0.512807 0.968667 0.000000 Si\n0.024854 0.747539 0.224810 Si\n0.474282 0.748871 0.224992 Si\n0.525718 0.248871 0.275008 Si\n0.975146 0.247539 0.275190 Si\n0.487193 0.468667 0.500000 Si\n0.011979 0.027121 0.500000 Si\n0.975146 0.247539 0.724810 Si\n0.525718 0.248871 0.724992 Si\n0.474282 0.748871 0.775008 Si\n0.024854 0.747539 0.775190 Si\n0.302881 0.025216 0.000000 O\n0.687820 0.068522 0.000000 O\n0.196549 0.469641 0.000000 O\n0.812014 0.428372 0.000000 O\n0.042431 0.188125 0.136425 O\n0.552601 0.862822 0.121344 O\n0.949424 0.630538 0.123546 O\n0.449076 0.309112 0.139338 O\n0.942524 0.888039 0.173297 O\n0.543503 0.602974 0.179019 O\n0.751031 0.256000 0.278545 O\n0.248969 0.756000 0.221455 O\n0.456497 0.102974 0.320981 O\n0.057476 0.388039 0.326703 O\n0.550924 0.809112 0.360662 O\n0.050576 0.130538 0.376454 O\n0.447399 0.362822 0.378656 O\n0.957569 0.688125 0.363575 O\n0.697119 0.525216 0.500000 O\n0.312180 0.568522 0.500000 O\n0.187986 0.928372 0.500000 O\n0.803451 0.969641 0.500000 O\n0.957569 0.688125 0.636425 O\n0.447399 0.362822 0.621344 O\n0.050576 0.130538 0.623546 O\n0.550924 0.809112 0.639338 O\n0.057476 0.388039 0.673297 O\n0.456497 0.102974 0.679019 O\n0.248969 0.756000 0.778545 O\n0.751031 0.256000 0.721455 O\n0.543503 0.602974 0.820981 O\n0.942524 0.888039 0.826703 O\n0.449076 0.309112 0.860662 O\n0.949424 0.630538 0.876454 O\n0.552601 0.862822 0.878656 O\n0.042431 0.188125 0.863575 O\n",
"nsites": 66,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Si",
"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 2.932576245439255,
"density_atomic": 0.08790737247596854,
"volume": 750.7902709530147,
"volume_molar": 6.850552565026658,
"formula_full": "Li12 Mn6 Si12 O36",
"formula_reduced": "Li2Mn(SiO3)2",
"formula_anonymous": "AB2C2D6",
"energy": -504.2892907,
"energy_per_atom": -7.640746828787878,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -469.5492907,
"band_gap": 2.6074,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 10.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.345000Z",
"spacegroup": 31
},
{
"id": "mp-638558",
"created_at": "2022-09-04T14:46:31.291254Z",
"structure_string": "Na10 Eu1 Sn12\n1.0\n-5.639853 5.639853 5.639853\n5.639853 -5.639853 5.639853\n5.639853 5.639853 -5.639853\nNa Eu Sn\n10 1 12\ndirect\n0.389898 0.389898 0.389898 Na\n0.500000 0.250000 0.750000 Na\n0.750000 0.250000 0.500000 Na\n0.750000 0.500000 0.250000 Na\n0.000000 0.610102 0.000000 Na\n0.250000 0.500000 0.750000 Na\n0.000000 0.000000 0.610102 Na\n0.500000 0.750000 0.250000 Na\n0.250000 0.750000 0.500000 Na\n0.610102 0.000000 0.000000 Na\n0.000000 0.000000 0.000000 Eu\n0.182585 0.811048 0.811048 Sn\n0.628463 0.628463 0.817415 Sn\n0.188952 0.371537 0.000000 Sn\n0.371537 0.000000 0.188952 Sn\n0.811048 0.811048 0.182585 Sn\n0.371537 0.188952 0.000000 Sn\n0.817415 0.628463 0.628463 Sn\n0.188952 0.000000 0.371537 Sn\n0.628463 0.817415 0.628463 Sn\n0.000000 0.371537 0.188952 Sn\n0.811048 0.182585 0.811048 Sn\n0.000000 0.188952 0.371537 Sn\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Na",
"Eu",
"Sn"
],
"chemical_system": "Eu-Na-Sn",
"density": 4.180182818811565,
"density_atomic": 0.0320526905951532,
"volume": 717.5684653280842,
"volume_molar": 18.788253491925666,
"formula_full": "Na10 Eu1 Sn12",
"formula_reduced": "Na10EuSn12",
"formula_anonymous": "AB10C12",
"energy": -77.93281058,
"energy_per_atom": -3.388383068695652,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.93281058,
"band_gap": 0.5731999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9996105,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:34.060000Z",
"spacegroup": 217
},
{
"id": "mp-770107",
"created_at": "2022-09-04T14:46:31.307134Z",
"structure_string": "Fe4 Cu2 O8\n1.0\n-3.019676 3.019925 4.214146\n3.019838 -3.019753 4.214138\n3.019906 3.019983 -4.214022\nFe Cu O\n4 2 8\ndirect\n0.874976 0.624990 0.249980 Fe\n0.375002 0.125025 0.750011 Fe\n0.375012 0.624991 0.249985 Fe\n0.375008 0.624996 0.750023 Fe\n0.000005 0.999999 0.999999 Cu\n0.749987 0.250006 0.500001 Cu\n0.611137 0.383324 0.227804 O\n0.616674 0.844463 0.227793 O\n0.616670 0.388865 0.772194 O\n0.133314 0.405473 0.272169 O\n0.138843 0.866687 0.272154 O\n0.155534 0.383331 0.772209 O\n0.594531 0.866693 0.727839 O\n0.133308 0.861156 0.727839 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Fe",
"Cu",
"O"
],
"chemical_system": "Cu-Fe-O",
"density": 5.168246862266716,
"density_atomic": 0.09106888442270641,
"volume": 153.72978475301656,
"volume_molar": 6.612731448479769,
"formula_full": "Fe4 Cu2 O8",
"formula_reduced": "Fe2CuO4",
"formula_anonymous": "AB2C4",
"energy": -101.36342529,
"energy_per_atom": -7.240244663571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.84342529,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 17.9975658,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.581000Z",
"spacegroup": 227
},
{
"id": "mp-1181160",
"created_at": "2022-09-04T14:46:28.827501Z",
"structure_string": "Mn2 Fe4 P4 O32\n1.0\n-7.909622 0.000000 0.000000\n0.220101 10.203219 0.000000\n-0.039589 -4.961505 -8.955924\nMn Fe P O\n2 4 4 32\ndirect\n0.829084 0.073920 0.461574 Mn\n0.170916 0.926080 0.538426 Mn\n0.830388 0.702252 0.013961 Fe\n0.169612 0.297748 0.986039 Fe\n0.649540 0.210778 0.982837 Fe\n0.350460 0.789222 0.017163 Fe\n0.893246 0.346586 0.797581 P\n0.106754 0.653414 0.202419 P\n0.631708 0.029087 0.183316 P\n0.368292 0.970913 0.816684 P\n0.852915 0.260031 0.628171 O\n0.147085 0.739969 0.371829 O\n0.868728 0.513064 0.843981 O\n0.131272 0.486936 0.156019 O\n0.773455 0.298617 0.885760 O\n0.226545 0.701383 0.114240 O\n0.079144 0.321198 0.828322 O\n0.920856 0.678802 0.171678 O\n0.758194 0.903201 0.093125 O\n0.241806 0.096799 0.906875 O\n0.626133 0.140240 0.123161 O\n0.373867 0.859760 0.876839 O\n0.692832 0.124422 0.349667 O\n0.307168 0.875578 0.650333 O\n0.454153 0.962885 0.181865 O\n0.545847 0.037115 0.818135 O\n0.563349 0.659972 0.994224 O\n0.436651 0.340028 0.005776 O\n0.949276 0.222338 0.060044 O\n0.050724 0.777662 0.939956 O\n0.002398 0.019559 0.364772 O\n0.997602 0.980441 0.635228 O\n0.513298 0.659945 0.411746 O\n0.486702 0.340055 0.588254 O\n0.730977 0.943453 0.477994 O\n0.269023 0.056547 0.522006 O\n0.576656 0.429662 0.571317 O\n0.423344 0.570338 0.428683 O\n0.524908 0.407926 0.135027 O\n0.475092 0.592074 0.864973 O\n0.011721 0.798541 0.830711 O\n0.988279 0.201459 0.169289 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Mn",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Mn-O-P",
"density": 2.22653059188053,
"density_atomic": 0.05810934142242072,
"volume": 722.7753571441244,
"volume_molar": 10.36346413947902,
"formula_full": "Mn2 Fe4 P4 O32",
"formula_reduced": "MnFe2(PO8)2",
"formula_anonymous": "AB2C2D16",
"energy": -280.49569611,
"energy_per_atom": -6.678468955,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -262.98369611,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 22.000205,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.861000Z",
"spacegroup": 2
},
{
"id": "mp-1028095",
"created_at": "2022-09-04T14:46:37.972151Z",
"structure_string": "Y1 Mg14 W1\n1.0\n6.433125 0.102552 0.000000\n-3.127749 5.417420 0.000000\n0.000000 0.000000 10.195942\nY Mg W\n1 14 1\ndirect\n0.158500 0.329249 0.125000 Y\n0.168471 0.334235 0.625000 Mg\n0.162134 0.831066 0.625000 Mg\n0.656474 0.322327 0.125000 Mg\n0.663528 0.334971 0.625000 Mg\n0.656474 0.834146 0.125000 Mg\n0.663528 0.828556 0.625000 Mg\n0.333038 0.156200 0.372155 Mg\n0.333038 0.156200 0.877845 Mg\n0.333038 0.676838 0.372155 Mg\n0.333038 0.676838 0.877845 Mg\n0.833953 0.166977 0.383691 Mg\n0.833953 0.166977 0.866309 Mg\n0.850655 0.675328 0.359579 Mg\n0.850655 0.675328 0.890421 Mg\n0.169523 0.834761 0.125000 W\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Y",
"Mg",
"W"
],
"chemical_system": "Mg-W-Y",
"density": 2.8385733581706734,
"density_atomic": 0.044616890937217005,
"volume": 358.6085821738346,
"volume_molar": 13.497445997467866,
"formula_full": "Y1 Mg14 W1",
"formula_reduced": "YMg14W",
"formula_anonymous": "ABC14",
"energy": -39.61174856,
"energy_per_atom": -2.475734285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.61174856,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6851208,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.194000Z",
"spacegroup": 38
},
{
"id": "mp-1201269",
"created_at": "2022-09-04T14:46:31.335059Z",
"structure_string": "Ca2 Ce2 Al4 Fe2 Si6 O26\n1.0\n5.771211 0.000000 0.000000\n0.000000 8.971816 0.000000\n0.000000 4.349302 9.269905\nCa Ce Al Fe Si O\n2 2 4 2 6 26\ndirect\n0.750000 0.617613 0.148544 Ca\n0.250000 0.382387 0.851456 Ca\n0.750000 0.195750 0.436504 Ce\n0.250000 0.804250 0.563496 Ce\n0.500000 0.000000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.250000 0.069807 0.224816 Fe\n0.750000 0.930193 0.775184 Fe\n0.750000 0.293867 0.044312 Si\n0.250000 0.706133 0.955688 Si\n0.250000 0.413864 0.268250 Si\n0.750000 0.586136 0.731750 Si\n0.750000 0.863175 0.326671 Si\n0.250000 0.136825 0.673329 Si\n0.510085 0.201963 0.031559 O\n0.010085 0.798037 0.968441 O\n0.489915 0.798037 0.968441 O\n0.989915 0.201963 0.031559 O\n0.525568 0.944764 0.373319 O\n0.025568 0.055236 0.626681 O\n0.474432 0.055236 0.626681 O\n0.974432 0.944764 0.373319 O\n0.483443 0.464692 0.331139 O\n0.983443 0.535308 0.668861 O\n0.516557 0.535308 0.668861 O\n0.016557 0.464692 0.331139 O\n0.250000 0.933203 0.119668 O\n0.750000 0.066797 0.880332 O\n0.750000 0.899752 0.153256 O\n0.250000 0.100248 0.846744 O\n0.750000 0.660260 0.411720 O\n0.250000 0.339740 0.588280 O\n0.750000 0.323121 0.190574 O\n0.250000 0.676879 0.809426 O\n0.250000 0.217250 0.321056 O\n0.750000 0.782750 0.678944 O\n0.250000 0.516290 0.090174 O\n0.750000 0.483710 0.909826 O\n0.250000 0.650047 0.448415 O\n0.750000 0.349953 0.551585 O\n",
"nsites": 42,
"nelements": 6,
"elements": [
"Ca",
"Ce",
"Al",
"Fe",
"Si",
"O"
],
"chemical_system": "Al-Ca-Ce-Fe-O-Si",
"density": 4.028715279461168,
"density_atomic": 0.08750375620254389,
"volume": 479.97939543055855,
"volume_molar": 6.882151145672677,
"formula_full": "Ca2 Ce2 Al4 Fe2 Si6 O26",
"formula_reduced": "CaCeAl2FeSi3O13",
"formula_anonymous": "ABCD2E3F13",
"energy": -345.40249527000003,
"energy_per_atom": -8.223868935,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -323.02849527,
"band_gap": 0.4086999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9998425,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:31.724000Z",
"spacegroup": 11
},
{
"id": "mp-1014995",
"created_at": "2022-09-04T14:46:31.307924Z",
"structure_string": "Cr12 N24\n1.0\n6.834257 -7.394775 0.000000\n6.834257 7.394775 0.000000\n-1.167008 0.000000 10.001393\nCr N\n12 24\ndirect\n0.667596 0.123820 0.895857 Cr\n0.895857 0.667596 0.123820 Cr\n0.123820 0.895857 0.667596 Cr\n0.895857 0.123820 0.667596 Cr\n0.667596 0.895857 0.123820 Cr\n0.123820 0.667596 0.895857 Cr\n0.332404 0.876180 0.104143 Cr\n0.104143 0.332404 0.876180 Cr\n0.876180 0.104143 0.332404 Cr\n0.104143 0.876180 0.332404 Cr\n0.332404 0.104143 0.876180 Cr\n0.876180 0.332404 0.104143 Cr\n0.754941 0.108694 0.754941 N\n0.754941 0.754941 0.108694 N\n0.108694 0.754941 0.754941 N\n0.245059 0.891306 0.245059 N\n0.245059 0.245059 0.891306 N\n0.891306 0.245059 0.245059 N\n0.500000 0.142545 0.857455 N\n0.857455 0.500000 0.142545 N\n0.142545 0.857455 0.500000 N\n0.857455 0.142545 0.500000 N\n0.500000 0.857455 0.142545 N\n0.142545 0.500000 0.857455 N\n0.678952 0.985388 0.985388 N\n0.985388 0.678952 0.985388 N\n0.985388 0.985388 0.678952 N\n0.321048 0.014612 0.014612 N\n0.014612 0.321048 0.014612 N\n0.014612 0.014612 0.321048 N\n0.741634 0.258366 0.000000 N\n0.000000 0.741634 0.258366 N\n0.258366 0.000000 0.741634 N\n0.000000 0.258366 0.741634 N\n0.741634 0.000000 0.258366 N\n0.258366 0.741634 0.000000 N\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Cr",
"N"
],
"chemical_system": "Cr-N",
"density": 1.5771214578624078,
"density_atomic": 0.03561194889911578,
"volume": 1010.8966544342609,
"volume_molar": 16.910449852267217,
"formula_full": "Cr12 N24",
"formula_reduced": "CrN2",
"formula_anonymous": "AB2",
"energy": -319.24847256,
"energy_per_atom": -8.868013126666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -310.58447256,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3553391,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:31.925000Z",
"spacegroup": 166
},
{
"id": "mp-698650",
"created_at": "2022-09-04T14:46:37.965919Z",
"structure_string": "Sr13 Mn8 O30\n1.0\n8.582182 0.000000 0.000000\n1.009488 9.310494 0.000000\n0.692989 0.075790 10.264407\nSr Mn O\n13 8 30\ndirect\n0.099144 0.188404 0.489817 Sr\n0.994744 0.283085 0.005445 Sr\n0.118162 0.968023 0.198497 Sr\n0.113776 0.549273 0.731756 Sr\n0.197195 0.640541 0.373865 Sr\n0.371045 0.905774 0.555204 Sr\n0.488700 0.553721 0.005105 Sr\n0.668963 0.116314 0.193460 Sr\n0.782610 0.368539 0.673660 Sr\n0.879214 0.450975 0.342326 Sr\n0.806502 0.018039 0.844536 Sr\n0.866022 0.730601 0.055736 Sr\n0.858014 0.881726 0.508198 Sr\n0.245384 0.320168 0.220642 Mn\n0.222509 0.176573 0.780084 Mn\n0.468030 0.252938 0.461705 Mn\n0.395917 0.220208 0.979753 Mn\n0.472879 0.898343 0.051074 Mn\n0.516377 0.594745 0.545968 Mn\n0.663880 0.719385 0.308605 Mn\n0.708560 0.715483 0.770166 Mn\n0.884723 0.755931 0.292445 O\n0.912312 0.768564 0.784548 O\n0.131490 0.488024 0.178472 O\n0.295892 0.367187 0.384548 O\n0.124753 0.912907 0.443883 O\n0.245184 0.089439 0.951557 O\n0.445379 0.334625 0.120847 O\n0.358762 0.109121 0.240034 O\n0.324538 0.778808 0.095736 O\n0.333791 0.171950 0.619299 O\n0.271347 0.358964 0.880006 O\n0.312743 0.648828 0.602267 O\n0.746365 0.385838 0.919641 O\n0.717233 0.646874 0.475860 O\n0.669982 0.119248 0.443957 O\n0.394097 0.086397 0.375642 O\n0.614616 0.867462 0.187711 O\n0.581375 0.576283 0.721006 O\n0.584799 0.404346 0.502036 O\n0.692245 0.574314 0.190745 O\n0.461888 0.705768 0.388780 O\n0.561662 0.074166 0.985932 O\n0.636558 0.873481 0.678676 O\n0.621864 0.771977 0.934424 O\n0.900988 0.032596 0.056747 O\n0.816077 0.169413 0.484833 O\n0.005012 0.457070 0.546218 O\n0.845057 0.505773 0.878741 O\n0.055990 0.234572 0.243228 O\n0.009649 0.177217 0.748578 O\n",
"nsites": 51,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"O"
],
"chemical_system": "Mn-O-Sr",
"density": 4.1677862788364894,
"density_atomic": 0.06218216904809493,
"volume": 820.170810711893,
"volume_molar": 9.684674645784972,
"formula_full": "Sr13 Mn8 O30",
"formula_reduced": "Sr13Mn8O30",
"formula_anonymous": "A8B13C30",
"energy": -346.71137668999995,
"energy_per_atom": -6.798262288039215,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -328.53737669,
"band_gap": 0.7031999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 27.9997145,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.121000Z",
"spacegroup": 1
},
{
"id": "mp-6233",
"created_at": "2022-09-04T14:46:31.326739Z",
"structure_string": "Na2 Sr6 Ru2 O12\n1.0\n4.795753 -4.864748 0.000000\n4.795753 4.864748 0.000000\n-0.138983 0.000000 6.829766\nNa Sr Ru O\n2 6 2 12\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.750000 0.392021 0.107979 Sr\n0.107979 0.750000 0.392021 Sr\n0.392021 0.107979 0.750000 Sr\n0.250000 0.607979 0.892021 Sr\n0.892021 0.250000 0.607979 Sr\n0.607979 0.892021 0.250000 Sr\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n0.444624 0.778332 0.575470 O\n0.575470 0.444624 0.778332 O\n0.778332 0.575470 0.444624 O\n0.055376 0.924530 0.721668 O\n0.721668 0.055376 0.924530 O\n0.924530 0.721668 0.055376 O\n0.555376 0.221668 0.424530 O\n0.424530 0.555376 0.221668 O\n0.221668 0.424530 0.555376 O\n0.944624 0.075470 0.278332 O\n0.075470 0.278332 0.944624 O\n0.278332 0.944624 0.075470 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Na",
"Sr",
"Ru",
"O"
],
"chemical_system": "Na-O-Ru-Sr",
"density": 5.032663173171901,
"density_atomic": 0.06903505983323478,
"volume": 318.6786547754795,
"volume_molar": 8.72330780120629,
"formula_full": "Na2 Sr6 Ru2 O12",
"formula_reduced": "NaSr3RuO6",
"formula_anonymous": "ABC3D6",
"energy": -146.57301736,
"energy_per_atom": -6.662409879999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -138.32901736,
"band_gap": 0.5002,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 5.9990897,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:37.111000Z",
"spacegroup": 167
},
{
"id": "mp-1174877",
"created_at": "2022-09-04T14:46:31.336443Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n2.985406 0.000000 0.000000\n0.156754 5.048795 0.000000\n1.119177 2.065883 14.440001\nLi Mn Co O\n7 2 3 12\ndirect\n0.918615 0.079814 0.658882 Li\n0.569090 0.412657 0.342186 Li\n0.248506 0.750187 0.000971 Li\n0.430910 0.587343 0.657814 Li\n0.081385 0.920186 0.341118 Li\n0.751494 0.249813 0.999029 Li\n0.500000 0.000000 0.500000 Li\n0.835590 0.666947 0.831643 Mn\n0.164410 0.333053 0.168357 Mn\n0.333748 0.166712 0.831524 Co\n0.000000 0.500000 0.500000 Co\n0.666252 0.833288 0.168476 Co\n0.413467 0.879094 0.752336 O\n0.038865 0.245628 0.426210 O\n0.742497 0.544130 0.089596 O\n0.869206 0.372545 0.757414 O\n0.523211 0.685308 0.427860 O\n0.204401 0.043082 0.091796 O\n0.476789 0.314692 0.572140 O\n0.130794 0.627455 0.242586 O\n0.795599 0.956918 0.908204 O\n0.961135 0.754372 0.573790 O\n0.586533 0.120906 0.247664 O\n0.257503 0.455870 0.910404 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.022646169810816,
"density_atomic": 0.11026885880995987,
"volume": 217.64984474322168,
"volume_molar": 5.461325005982612,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy": -156.5265483,
"energy_per_atom": -6.5219395125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -140.0325483,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0000484,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.591000Z",
"spacegroup": 2
},
{
"id": "mp-1185588",
"created_at": "2022-09-04T14:46:42.518677Z",
"structure_string": "Gd6 Ag2\n1.0\n3.462472 -5.997177 0.000000\n3.462472 5.997177 0.000000\n0.000000 0.000000 5.450942\nGd Ag\n6 2\ndirect\n0.172659 0.345318 0.250000 Gd\n0.654682 0.827341 0.250000 Gd\n0.172659 0.827341 0.250000 Gd\n0.827341 0.654682 0.750000 Gd\n0.345318 0.172659 0.750000 Gd\n0.827341 0.172659 0.750000 Gd\n0.333333 0.666667 0.750000 Ag\n0.666667 0.333333 0.250000 Ag\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Gd",
"Ag"
],
"chemical_system": "Ag-Gd",
"density": 8.503278698567916,
"density_atomic": 0.03533908442625299,
"volume": 226.37824748104947,
"volume_molar": 17.04102089166244,
"formula_full": "Gd6 Ag2",
"formula_reduced": "Gd3Ag",
"formula_anonymous": "AB3",
"energy": -90.34558811,
"energy_per_atom": -11.29319851375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.34558811,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 46.6626576,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.437000Z",
"spacegroup": 194
}
]
}