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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=1757",
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"results": [
{
"id": "mp-768927",
"created_at": "2022-09-04T14:45:31.213805Z",
"structure_string": "Li8 Mn4 P4 C4 O28\n1.0\n5.023711 0.000000 0.000000\n-0.021921 6.546231 0.000000\n-1.162187 -0.160913 16.697786\nLi Mn P C O\n8 4 4 4 28\ndirect\n0.743778 0.966526 0.130712 Li\n0.746437 0.527711 0.131004 Li\n0.247566 0.471736 0.373191 Li\n0.246703 0.029425 0.372024 Li\n0.759460 0.971562 0.631125 Li\n0.753919 0.528279 0.629350 Li\n0.246130 0.470944 0.863713 Li\n0.770659 0.237472 0.943924 Li\n0.193387 0.246628 0.168628 Mn\n0.802594 0.750050 0.333773 Mn\n0.212414 0.253680 0.667953 Mn\n0.803030 0.754517 0.836294 Mn\n0.266866 0.748709 0.207926 P\n0.730163 0.249377 0.293840 P\n0.267775 0.746793 0.708850 P\n0.714983 0.253730 0.789454 P\n0.287590 0.262031 0.020434 C\n0.725683 0.750841 0.477363 C\n0.294150 0.247784 0.525721 C\n0.721632 0.741961 0.978501 C\n0.038661 0.252893 0.034338 O\n0.663581 0.743306 0.050870 O\n0.459075 0.247807 0.085615 O\n0.157649 0.937701 0.161678 O\n0.158178 0.556786 0.161929 O\n0.824475 0.247624 0.205571 O\n0.577649 0.749805 0.217989 O\n0.419070 0.249544 0.285528 O\n0.166792 0.750900 0.294619 O\n0.841754 0.061493 0.338611 O\n0.843636 0.439293 0.338663 O\n0.538113 0.749317 0.415493 O\n0.323842 0.250111 0.451893 O\n0.965337 0.751978 0.454215 O\n0.058589 0.242443 0.555748 O\n0.661320 0.751083 0.548486 O\n0.491763 0.250903 0.581040 O\n0.167461 0.940314 0.665293 O\n0.164579 0.564572 0.656094 O\n0.833391 0.248520 0.706915 O\n0.580220 0.744948 0.721048 O\n0.405845 0.284132 0.771996 O\n0.155097 0.731315 0.793079 O\n0.774786 0.065359 0.840770 O\n0.824784 0.431205 0.844168 O\n0.536407 0.735504 0.918253 O\n0.380476 0.284977 0.952919 O\n0.962213 0.750227 0.955281 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-O-P",
"density": 2.707041425811615,
"density_atomic": 0.08741105711721296,
"volume": 549.1296133810039,
"volume_molar": 6.889449640134969,
"formula_full": "Li8 Mn4 P4 C4 O28",
"formula_reduced": "Li2MnPCO7",
"formula_anonymous": "ABCD2E7",
"energy": -360.73284922,
"energy_per_atom": -7.5152676920833335,
"energy_above_hull": null,
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"energy_uncorrected": -334.82484922,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:58.508000Z",
"spacegroup": 1
},
{
"id": "mp-774906",
"created_at": "2022-09-04T14:40:20.715842Z",
"structure_string": "Li8 Mn4 Ni12 O32\n1.0\n8.117577 0.000000 0.000000\n0.010415 8.202258 0.000000\n0.003700 0.017405 8.208168\nLi Mn Ni O\n8 4 12 32\ndirect\n0.000503 0.000283 0.000862 Li\n0.250865 0.250330 0.750764 Li\n0.752920 0.747969 0.748292 Li\n0.498946 0.001223 0.497020 Li\n0.002885 0.501532 0.503567 Li\n0.748575 0.249018 0.247883 Li\n0.246694 0.753883 0.252153 Li\n0.501603 0.498773 0.000864 Li\n0.375436 0.871218 0.876225 Mn\n0.872744 0.124044 0.623385 Mn\n0.622087 0.621726 0.369956 Mn\n0.124141 0.373601 0.124566 Mn\n0.628141 0.121490 0.876708 Ni\n0.874254 0.370956 0.878265 Ni\n0.124664 0.627959 0.878821 Ni\n0.623412 0.373690 0.622919 Ni\n0.375843 0.626759 0.623416 Ni\n0.126609 0.879701 0.628123 Ni\n0.375087 0.377830 0.368589 Ni\n0.124476 0.127686 0.377103 Ni\n0.872830 0.876575 0.375651 Ni\n0.376635 0.125965 0.123850 Ni\n0.626224 0.872210 0.123807 Ni\n0.876494 0.624136 0.126522 Ni\n0.393424 0.111304 0.891089 O\n0.616761 0.887093 0.891980 O\n0.892569 0.620447 0.896605 O\n0.856845 0.123092 0.859311 O\n0.108116 0.380970 0.891907 O\n0.642602 0.350328 0.874861 O\n0.357573 0.639327 0.874720 O\n0.142958 0.873574 0.861865 O\n0.632575 0.138554 0.643854 O\n0.859801 0.359860 0.638628 O\n0.142393 0.646659 0.637292 O\n0.613280 0.610093 0.604608 O\n0.380609 0.859685 0.645104 O\n0.387250 0.388673 0.600501 O\n0.107222 0.111733 0.623955 O\n0.871730 0.891324 0.603220 O\n0.604880 0.390241 0.369824 O\n0.387130 0.607169 0.373312 O\n0.114940 0.898219 0.393093 O\n0.140806 0.360715 0.362751 O\n0.882414 0.123769 0.392457 O\n0.368313 0.146039 0.354151 O\n0.628698 0.857653 0.354326 O\n0.858763 0.626656 0.357683 O\n0.359186 0.373759 0.139972 O\n0.136227 0.142807 0.130132 O\n0.862157 0.857143 0.142956 O\n0.394870 0.877916 0.111158 O\n0.641953 0.641122 0.132878 O\n0.619399 0.101291 0.108454 O\n0.886362 0.393506 0.117136 O\n0.106268 0.610862 0.120910 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Ni",
"O"
],
"chemical_system": "Li-Mn-Ni-O",
"density": 4.5320019472161945,
"density_atomic": 0.10246651075136179,
"volume": 546.5200248292416,
"volume_molar": 5.877179495857836,
"formula_full": "Li8 Mn4 Ni12 O32",
"formula_reduced": "Li2MnNi3O8",
"formula_anonymous": "AB2C3D8",
"energy": -360.7276681,
"energy_per_atom": -6.441565501785715,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -301.5796681,
"band_gap": 0.2074000000000002,
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"is_magnetic": true,
"total_magnetization": 19.9989693,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.702000Z",
"spacegroup": 1
},
{
"id": "mp-1204592",
"created_at": "2022-09-04T14:40:37.972190Z",
"structure_string": "Pb4 S12 O40\n1.0\n11.240802 0.000000 0.000000\n0.000000 8.779976 0.000000\n0.000000 0.000000 8.250679\nPb S O\n4 12 40\ndirect\n0.000000 0.783669 0.750000 Pb\n0.500000 0.716331 0.250000 Pb\n0.000000 0.216331 0.250000 Pb\n0.500000 0.283669 0.750000 Pb\n0.000000 0.784068 0.250000 S\n0.500000 0.715932 0.750000 S\n0.000000 0.215932 0.750000 S\n0.500000 0.284068 0.250000 S\n0.174292 0.570387 0.402591 S\n0.325708 0.929613 0.902591 S\n0.674292 0.929613 0.597409 S\n0.825708 0.570387 0.097409 S\n0.825708 0.429613 0.597409 S\n0.674292 0.070387 0.097409 S\n0.325708 0.070387 0.402591 S\n0.174292 0.429613 0.902591 S\n0.992538 0.867323 0.399564 O\n0.507462 0.632677 0.899564 O\n0.492538 0.632677 0.600436 O\n0.007462 0.867323 0.100436 O\n0.007462 0.132677 0.600436 O\n0.492538 0.367323 0.100436 O\n0.507462 0.367323 0.399564 O\n0.992538 0.132677 0.899564 O\n0.111442 0.675560 0.245828 O\n0.388558 0.824440 0.745828 O\n0.611442 0.824440 0.754172 O\n0.888558 0.675560 0.254172 O\n0.888558 0.324440 0.754172 O\n0.611442 0.175560 0.254172 O\n0.388558 0.175560 0.245828 O\n0.111442 0.324440 0.745828 O\n0.105570 0.430195 0.399917 O\n0.394430 0.069805 0.899917 O\n0.605570 0.069805 0.600083 O\n0.894430 0.430195 0.100083 O\n0.894430 0.569805 0.600083 O\n0.605570 0.930195 0.100083 O\n0.394430 0.930195 0.399917 O\n0.105570 0.569805 0.899917 O\n0.160272 0.662413 0.547386 O\n0.339728 0.837587 0.047386 O\n0.660272 0.837587 0.452614 O\n0.839728 0.662413 0.952614 O\n0.839728 0.337587 0.452614 O\n0.660272 0.162413 0.952614 O\n0.339728 0.162413 0.547386 O\n0.160272 0.337587 0.047386 O\n0.293273 0.559996 0.337307 O\n0.206727 0.940004 0.837307 O\n0.793273 0.940004 0.662693 O\n0.706727 0.559996 0.162693 O\n0.706727 0.440004 0.662693 O\n0.793273 0.059996 0.162693 O\n0.206727 0.059996 0.337307 O\n0.293273 0.440004 0.837307 O\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Pb",
"S",
"O"
],
"chemical_system": "O-Pb-S",
"density": 3.7798493541241562,
"density_atomic": 0.06877137527648676,
"volume": 814.2922803980431,
"volume_molar": 8.756754879175721,
"formula_full": "Pb4 S12 O40",
"formula_reduced": "PbS3O10",
"formula_anonymous": "AB3C10",
"energy": -360.70649963,
"energy_per_atom": -6.4411874933928575,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:06.767000Z",
"spacegroup": 60
},
{
"id": "mp-1523205",
"created_at": "2022-09-04T14:40:17.436602Z",
"structure_string": "Sr4 Sm4 Eu4 Nb4 O24\n1.0\n8.477800 0.000000 0.000000\n0.000000 8.484493 0.000000\n0.000000 0.000000 8.481740\nSr Sm Eu Nb O\n4 4 4 4 24\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.500000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.250150 0.249897 0.249922 Sm\n0.749850 0.750103 0.249922 Sm\n0.749850 0.249897 0.750078 Sm\n0.250150 0.750103 0.750078 Sm\n0.500000 0.000000 0.500000 Eu\n0.500000 0.000000 0.000000 Eu\n0.000000 0.000000 -0.000000 Eu\n0.500000 0.500000 0.500000 Eu\n0.749445 0.750074 0.750418 Nb\n0.250555 0.249926 0.750418 Nb\n0.250555 0.750074 0.249582 Nb\n0.749445 0.249926 0.249582 Nb\n0.982751 0.203502 0.287037 O\n0.017249 0.796498 0.287037 O\n0.017249 0.203502 0.712963 O\n0.982751 0.796498 0.712963 O\n0.289280 0.983496 0.202117 O\n0.289280 0.016504 0.797883 O\n0.710720 0.016504 0.202117 O\n0.710720 0.983496 0.797883 O\n0.203855 0.286819 0.982986 O\n0.796145 0.286819 0.017014 O\n0.203855 0.713181 0.017014 O\n0.796145 0.713181 0.982986 O\n0.516635 0.296046 0.212591 O\n0.483365 0.703954 0.212591 O\n0.483365 0.296046 0.787409 O\n0.516635 0.703954 0.787409 O\n0.213503 0.517220 0.296346 O\n0.213503 0.482780 0.703654 O\n0.786497 0.482780 0.296346 O\n0.786497 0.517220 0.703654 O\n0.298105 0.210936 0.516921 O\n0.701895 0.210936 0.483079 O\n0.298105 0.789064 0.483079 O\n0.701895 0.789064 0.516921 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
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"Sm",
"Eu",
"Nb",
"O"
],
"chemical_system": "Eu-Nb-O-Sm-Sr",
"density": 6.302004261547377,
"density_atomic": 0.06556408026710177,
"volume": 610.0901566382665,
"volume_molar": 9.185121998915225,
"formula_full": "Sr4 Sm4 Eu4 Nb4 O24",
"formula_reduced": "SrSmEuNbO6",
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"energy": -360.70611151,
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"updated_at": "2021-11-28T01:34:54.872000Z",
"spacegroup": 16
},
{
"id": "mp-768948",
"created_at": "2022-09-04T14:40:08.215157Z",
"structure_string": "Li8 Mn4 P4 C4 O28\n1.0\n6.445069 0.000000 0.000000\n0.000000 8.468014 0.000000\n0.000000 0.625761 10.016293\nLi Mn P C O\n8 4 4 4 28\ndirect\n0.213318 0.734242 0.871188 Li\n0.786110 0.738083 0.873325 Li\n0.213890 0.738083 0.373325 Li\n0.786682 0.734242 0.371188 Li\n0.286573 0.269562 0.628281 Li\n0.713427 0.269562 0.128281 Li\n0.493994 0.108625 0.889163 Li\n0.506006 0.108625 0.389163 Li\n0.504312 0.664300 0.596291 Mn\n0.495688 0.664300 0.096291 Mn\n0.001141 0.322843 0.905311 Mn\n0.998859 0.322843 0.405311 Mn\n0.007015 0.583291 0.633115 P\n0.992985 0.583291 0.133115 P\n0.496767 0.416598 0.858681 P\n0.503233 0.416598 0.358681 P\n0.491966 0.955274 0.645056 C\n0.508034 0.955274 0.145056 C\n0.998920 0.040479 0.862973 C\n0.001080 0.040479 0.362973 C\n0.500750 0.930090 0.519928 O\n0.003099 0.899300 0.827629 O\n0.499250 0.930090 0.019928 O\n0.507322 0.825143 0.729012 O\n0.996901 0.899300 0.327629 O\n0.492678 0.825143 0.229012 O\n0.194796 0.685864 0.581543 O\n0.812590 0.672156 0.575642 O\n0.187410 0.672156 0.075642 O\n0.805204 0.685864 0.081543 O\n0.501509 0.583631 0.917545 O\n0.001447 0.565117 0.788202 O\n0.498491 0.583631 0.417545 O\n0.998553 0.565117 0.288202 O\n0.489279 0.446671 0.706200 O\n0.024963 0.416170 0.579146 O\n0.510721 0.446671 0.206200 O\n0.975037 0.416170 0.079146 O\n0.311192 0.314376 0.907164 O\n0.681975 0.312800 0.909399 O\n0.688808 0.314376 0.407164 O\n0.318025 0.312800 0.409399 O\n0.016225 0.162391 0.772684 O\n0.468493 0.087887 0.693893 O\n0.983775 0.162391 0.272684 O\n0.978061 0.081329 0.983462 O\n0.531507 0.087887 0.193893 O\n0.021939 0.081329 0.483462 O\n",
"nsites": 48,
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"elements": [
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"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-O-P",
"density": 2.719277993046807,
"density_atomic": 0.08780617898986523,
"volume": 546.6585672238426,
"volume_molar": 6.858447582253965,
"formula_full": "Li8 Mn4 P4 C4 O28",
"formula_reduced": "Li2MnPCO7",
"formula_anonymous": "ABCD2E7",
"energy": -360.70589961,
"energy_per_atom": -7.514706241875,
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"updated_at": "2021-11-28T01:34:48.355000Z",
"spacegroup": 7
},
{
"id": "mp-1666600",
"created_at": "2022-09-04T14:40:59.146927Z",
"structure_string": "Ba2 Sr8 Fe10 O30\n1.0\n-3.939301 3.938769 -0.000604\n-3.939302 -3.938770 -0.000606\n-3.936271 0.000003 19.840194\nBa Sr Fe O\n2 8 10 30\ndirect\n0.449870 0.950014 0.100021 Ba\n0.950014 0.449871 0.100021 Ba\n0.348608 0.848875 0.302637 Sr\n0.848873 0.348608 0.302637 Sr\n0.051630 0.551240 0.896940 Sr\n0.551240 0.051631 0.896940 Sr\n0.249536 0.749536 0.500945 Sr\n0.749533 0.249535 0.500945 Sr\n0.150496 0.650254 0.699156 Sr\n0.650254 0.150496 0.699157 Sr\n0.199799 0.199790 0.600130 Fe\n0.700341 0.700334 0.599763 Fe\n0.002187 0.002190 0.995148 Fe\n0.398768 0.398768 0.202794 Fe\n0.898045 0.898050 0.203806 Fe\n0.501429 0.501425 0.997319 Fe\n0.299298 0.299272 0.401831 Fe\n0.798759 0.798778 0.402055 Fe\n0.100997 0.101001 0.797863 Fe\n0.601276 0.601269 0.797303 Fe\n0.448604 0.448604 0.102261 O\n0.947945 0.947945 0.103934 O\n0.347134 0.347134 0.303421 O\n0.849646 0.849647 0.302284 O\n0.053923 0.053923 0.894091 O\n0.553270 0.553271 0.893503 O\n0.249507 0.249508 0.501120 O\n0.749500 0.749500 0.501352 O\n0.151161 0.151162 0.699471 O\n0.649177 0.649176 0.700251 O\n0.449245 0.950133 0.600550 O\n0.950134 0.449244 0.600550 O\n0.950502 0.950501 0.600701 O\n0.449078 0.449078 0.600333 O\n0.252696 0.753098 0.994066 O\n0.753097 0.252698 0.994066 O\n0.648135 0.145521 0.206404 O\n0.145520 0.648136 0.206404 O\n0.753208 0.753209 0.993947 O\n0.252782 0.252782 0.994061 O\n0.145309 0.145309 0.206218 O\n0.648208 0.648209 0.206563 O\n0.548669 0.048964 0.402320 O\n0.048963 0.548671 0.402320 O\n0.354487 0.848416 0.796889 O\n0.848416 0.354486 0.796889 O\n0.049273 0.049275 0.402532 O\n0.548313 0.548314 0.402139 O\n0.847650 0.847650 0.796900 O\n0.355495 0.355496 0.797048 O\n",
"nsites": 50,
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"elements": [
"Ba",
"Sr",
"Fe",
"O"
],
"chemical_system": "Ba-Fe-O-Sr",
"density": 5.431872310975166,
"density_atomic": 0.08120842239537562,
"volume": 615.6996839141556,
"volume_molar": 7.415660324837106,
"formula_full": "Ba2 Sr8 Fe10 O30",
"formula_reduced": "BaSr4(FeO3)5",
"formula_anonymous": "AB4C5D15",
"energy": -360.70105693,
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"updated_at": "2021-11-28T01:35:12.547000Z",
"spacegroup": 99
},
{
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"id": "mp-684881",
"created_at": "2022-09-04T14:42:07.490936Z",
"structure_string": "Mn27 Sb26\n1.0\n9.955258 0.000000 0.000000\n-1.715037 10.635475 0.000000\n-4.629754 -4.664274 10.006698\nMn Sb\n27 26\ndirect\n0.002439 0.999410 0.998673 Mn\n0.461600 0.076165 0.230422 Mn\n0.501249 0.998481 0.999334 Mn\n0.923337 0.153179 0.461231 Mn\n0.960751 0.076862 0.227212 Mn\n0.421656 0.152660 0.460491 Mn\n0.384244 0.229895 0.693226 Mn\n0.848324 0.315427 0.926331 Mn\n0.885842 0.234229 0.691146 Mn\n0.309630 0.384959 0.154285 Mn\n0.348587 0.306805 0.923390 Mn\n0.808204 0.384316 0.154649 Mn\n0.767662 0.462900 0.385411 Mn\n0.226806 0.536791 0.614847 Mn\n0.265128 0.457961 0.380735 Mn\n0.691516 0.612715 0.843571 Mn\n0.729667 0.536906 0.616436 Mn\n0.156176 0.689999 0.080854 Mn\n0.194869 0.613649 0.845035 Mn\n0.617849 0.769729 0.309369 Mn\n0.652298 0.694361 0.075274 Mn\n0.073671 0.846524 0.538194 Mn\n0.116954 0.769123 0.309206 Mn\n0.534802 0.919950 0.765772 Mn\n0.576941 0.848879 0.541385 Mn\n0.763970 0.809762 0.757327 Mn\n0.038500 0.925502 0.772814 Mn\n0.647225 0.040162 0.449137 Sb\n0.817420 0.057487 0.784987 Sb\n0.108576 0.117061 0.679921 Sb\n0.277052 0.114446 0.013386 Sb\n0.572290 0.192621 0.910243 Sb\n0.738031 0.190834 0.244324 Sb\n0.032260 0.270549 0.138313 Sb\n0.198218 0.265968 0.473964 Sb\n0.492955 0.346329 0.371753 Sb\n0.658145 0.344004 0.703681 Sb\n0.953845 0.423384 0.601356 Sb\n0.125392 0.421624 0.935920 Sb\n0.416749 0.499872 0.831543 Sb\n0.583915 0.498630 0.165585 Sb\n0.876926 0.580782 0.065466 Sb\n0.043608 0.575596 0.397263 Sb\n0.342720 0.655655 0.297631 Sb\n0.489132 0.641453 0.619103 Sb\n0.800088 0.734764 0.532236 Sb\n0.980841 0.722797 0.865977 Sb\n0.260031 0.808997 0.755848 Sb\n0.428753 0.806046 0.090435 Sb\n0.725092 0.883672 0.980542 Sb\n0.892593 0.885212 0.320730 Sb\n0.185780 0.962008 0.218296 Sb\n0.352510 0.960600 0.552148 Sb\n",
"nsites": 53,
"nelements": 2,
"elements": [
"Mn",
"Sb"
],
"chemical_system": "Mn-Sb",
"density": 7.286460033331779,
"density_atomic": 0.05002368325830862,
"volume": 1059.4981526314746,
"volume_molar": 12.038579264352272,
"formula_full": "Mn27 Sb26",
"formula_reduced": "Mn27Sb26",
"formula_anonymous": "A26B27",
"energy": -360.62591942,
"energy_per_atom": -6.804262630566038,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -355.63391942,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 82.261977,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.107000Z",
"spacegroup": 1
}
]
}