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=decomposes_to&page=10270",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=decomposes_to&page=10268",
"results": [
{
"id": "mp-23970",
"created_at": "2022-09-04T14:40:17.415950Z",
"structure_string": "Nd4 P8 H36 O40\n1.0\n7.343109 0.000000 0.000000\n0.000000 10.158352 0.000000\n0.000000 0.000000 11.796999\nNd P H O\n4 8 36 40\ndirect\n0.750000 0.243301 0.250000 Nd\n0.750000 0.256699 0.750000 Nd\n0.250000 0.756699 0.750000 Nd\n0.250000 0.743301 0.250000 Nd\n0.912866 0.531296 0.429181 P\n0.912866 0.968704 0.570819 P\n0.587134 0.531296 0.070819 P\n0.587134 0.968704 0.929181 P\n0.087134 0.468704 0.570819 P\n0.087134 0.031296 0.429181 P\n0.412866 0.468704 0.929181 P\n0.412866 0.031296 0.070819 P\n0.555171 0.944679 0.256137 H\n0.555171 0.555321 0.743863 H\n0.944829 0.944679 0.243863 H\n0.944829 0.555321 0.756137 H\n0.444829 0.055321 0.743863 H\n0.444829 0.444679 0.256137 H\n0.055171 0.055321 0.756137 H\n0.055171 0.444679 0.243863 H\n0.537586 0.629357 0.429851 H\n0.537586 0.870643 0.570149 H\n0.962414 0.629357 0.070149 H\n0.962414 0.870643 0.929851 H\n0.462414 0.370643 0.570149 H\n0.462414 0.129357 0.429851 H\n0.037586 0.370643 0.929851 H\n0.037586 0.129357 0.070149 H\n0.628263 0.853389 0.353820 H\n0.628263 0.646611 0.646180 H\n0.871737 0.853389 0.146180 H\n0.871737 0.646611 0.853820 H\n0.371737 0.146611 0.646180 H\n0.371737 0.353389 0.353820 H\n0.128263 0.146611 0.853820 H\n0.128263 0.353389 0.146180 H\n0.800916 0.750000 0.500000 H\n0.699084 0.750000 0.000000 H\n0.199084 0.250000 0.500000 H\n0.300916 0.250000 0.000000 H\n0.340409 0.620863 0.486042 H\n0.340409 0.879137 0.513958 H\n0.159591 0.620863 0.013958 H\n0.159591 0.879137 0.986042 H\n0.659591 0.379137 0.513958 H\n0.659591 0.120863 0.486042 H\n0.840409 0.379137 0.986042 H\n0.840409 0.120863 0.013958 H\n0.405839 0.633088 0.413078 O\n0.405839 0.866912 0.586922 O\n0.094161 0.633088 0.086922 O\n0.094161 0.866912 0.913078 O\n0.594161 0.366912 0.586922 O\n0.594161 0.133088 0.413078 O\n0.905839 0.366912 0.913078 O\n0.905839 0.133088 0.086922 O\n0.195220 0.907771 0.395294 O\n0.195220 0.592229 0.604706 O\n0.304780 0.907771 0.104706 O\n0.304780 0.592229 0.895294 O\n0.804780 0.092229 0.604706 O\n0.804780 0.407771 0.395294 O\n0.695220 0.092229 0.895294 O\n0.695220 0.407771 0.104706 O\n0.550595 0.853872 0.286664 O\n0.550595 0.646128 0.713336 O\n0.949405 0.853872 0.213336 O\n0.949405 0.646128 0.786664 O\n0.449405 0.146128 0.713336 O\n0.449405 0.353872 0.286664 O\n0.050595 0.146128 0.786664 O\n0.050595 0.353872 0.213336 O\n0.723791 0.635356 0.022168 O\n0.723791 0.864644 0.977832 O\n0.776209 0.635356 0.477832 O\n0.776209 0.864644 0.522168 O\n0.276209 0.364644 0.977832 O\n0.276209 0.135356 0.022168 O\n0.223791 0.364644 0.522168 O\n0.223791 0.135356 0.477832 O\n0.465241 0.585754 0.165320 O\n0.465241 0.914246 0.834680 O\n0.034759 0.585754 0.334680 O\n0.034759 0.914246 0.665320 O\n0.534759 0.414246 0.834680 O\n0.534759 0.085754 0.165320 O\n0.965241 0.414246 0.665320 O\n0.965241 0.085754 0.334680 O\n",
"nsites": 88,
"nelements": 4,
"elements": [
"Nd",
"P",
"H",
"O"
],
"chemical_system": "H-Nd-O-P",
"density": 2.8324404167657287,
"density_atomic": 0.1000018183847388,
"volume": 879.9839985052673,
"volume_molar": 6.02203125630267,
"formula_full": "Nd4 P8 H36 O40",
"formula_reduced": "NdP2H9O10",
"formula_anonymous": "AB2C9D10",
"energy": -552.8666834200001,
"energy_per_atom": -6.282575947954546,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -525.38668342,
"band_gap": 5.2907,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.002965,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:47.914000Z",
"spacegroup": 52
},
{
"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": [
"Sr",
"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",
"formula_anonymous": "ABCDE6",
"energy": -360.70611151,
"energy_per_atom": -9.01765278775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -344.21811151,
"band_gap": 0.2381000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0110469,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.872000Z",
"spacegroup": 16
},
{
"id": "mp-1182891",
"created_at": "2022-09-04T14:40:17.438465Z",
"structure_string": "Al2 C2 N2 O10\n1.0\n2.463491 -6.888385 0.000000\n2.463491 6.888385 0.000000\n0.000000 0.000000 6.152835\nAl C N O\n2 2 2 10\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.174368 0.825632 0.750000 C\n0.825632 0.174368 0.250000 C\n0.521197 0.478803 0.750000 N\n0.478803 0.521197 0.250000 N\n0.262776 0.737224 0.750000 O\n0.737224 0.262776 0.250000 O\n0.122944 0.877056 0.935242 O\n0.877056 0.122944 0.064758 O\n0.122944 0.877056 0.564758 O\n0.877056 0.122944 0.435242 O\n0.683690 0.750461 0.750000 O\n0.750461 0.683690 0.250000 O\n0.316310 0.249539 0.250000 O\n0.249539 0.316310 0.750000 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Al",
"C",
"N",
"O"
],
"chemical_system": "Al-C-N-O",
"density": 2.1151628744742372,
"density_atomic": 0.0766207371376797,
"volume": 208.82075268017354,
"volume_molar": 7.859674789057202,
"formula_full": "Al2 C2 N2 O10",
"formula_reduced": "AlCNO5",
"formula_anonymous": "ABCD5",
"energy": -116.0777316,
"energy_per_atom": -7.254858225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -109.2077316,
"band_gap": 0.3063,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007309,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.962000Z",
"spacegroup": 63
},
{
"id": "mp-1026916",
"created_at": "2022-09-04T14:40:17.150211Z",
"structure_string": "Mo4 Se4 S4\n1.0\n1.628239 -2.820193 0.000000\n1.628239 2.820193 0.000000\n0.000000 0.000000 36.821553\nMo Se S\n4 4 4\ndirect\n0.333333 0.666667 0.718184 Mo\n0.333333 0.666667 0.093916 Mo\n0.666667 0.333333 0.906084 Mo\n0.666667 0.333333 0.281816 Mo\n0.333333 0.666667 0.327957 Se\n0.666667 0.333333 0.672043 Se\n0.666667 0.333333 0.764320 Se\n0.333333 0.666667 0.235680 Se\n0.333333 0.666667 0.948005 S\n0.666667 0.333333 0.051995 S\n0.666667 0.333333 0.135855 S\n0.333333 0.666667 0.864145 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mo",
"Se",
"S"
],
"chemical_system": "Mo-S-Se",
"density": 4.065153191865239,
"density_atomic": 0.03548560105452976,
"volume": 338.1653302577551,
"volume_molar": 16.97066015803407,
"formula_full": "Mo4 Se4 S4",
"formula_reduced": "MoSeS",
"formula_anonymous": "ABC",
"energy": -86.88472008000001,
"energy_per_atom": -7.240393340000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.98472008,
"band_gap": 0.6715999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0010991,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.867000Z",
"spacegroup": 164
},
{
"id": "mp-626155",
"created_at": "2022-09-04T14:40:17.153354Z",
"structure_string": "H8 N4 O6\n1.0\n5.367180 0.000000 0.000000\n0.000000 6.246262 0.000000\n0.000000 0.000000 6.788245\nH N O\n8 4 6\ndirect\n0.425287 0.469373 0.596531 H\n0.574713 0.469373 0.403469 H\n0.925287 0.530627 0.903469 H\n0.074713 0.530627 0.096531 H\n0.491553 0.599518 0.883504 H\n0.508447 0.599518 0.116496 H\n0.991553 0.400482 0.616496 H\n0.008447 0.400482 0.383504 H\n0.500000 0.492271 0.000000 N\n0.000000 0.507729 0.500000 N\n0.500000 0.939355 0.500000 N\n0.000000 0.060645 0.000000 N\n0.500000 0.373479 0.500000 O\n0.000000 0.626521 0.000000 O\n0.499874 0.862943 0.663568 O\n0.500126 0.862943 0.336432 O\n0.999874 0.137057 0.836432 O\n0.000126 0.137057 0.163568 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"H",
"N",
"O"
],
"chemical_system": "H-N-O",
"density": 1.1681013832860094,
"density_atomic": 0.07909492878706018,
"volume": 227.57464070117194,
"volume_molar": 7.613813998382681,
"formula_full": "H8 N4 O6",
"formula_reduced": "H4N2O3",
"formula_anonymous": "A2B3C4",
"energy": -95.61335572,
"energy_per_atom": -5.311853095555556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.49135572,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001527,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.298000Z",
"spacegroup": 18
},
{
"id": "mp-677422",
"created_at": "2022-09-04T14:40:17.163005Z",
"structure_string": "Ca4 Ga4 Si2 H4 O16\n1.0\n7.801533 0.000000 0.000000\n-2.631207 7.364041 0.000000\n-2.549489 -3.675517 6.420214\nCa Ga Si H O\n4 4 2 4 16\ndirect\n0.997826 0.715069 0.989523 Ca\n0.992778 0.002134 0.719549 Ca\n0.721596 0.997978 0.009079 Ca\n0.277344 0.277650 0.277273 Ca\n0.242912 0.484850 0.742751 Ga\n0.757381 0.516027 0.256984 Ga\n0.507319 0.246748 0.756107 Ga\n0.259252 0.754176 0.507739 Ga\n0.736321 0.243770 0.488669 Si\n0.491364 0.754794 0.244654 Si\n0.011687 0.972134 0.345045 H\n0.338085 0.000927 0.964443 H\n0.966253 0.340073 0.001587 H\n0.624943 0.659367 0.658039 H\n0.998772 0.231677 0.006498 O\n0.697594 0.998998 0.422359 O\n0.552814 0.584576 0.285195 O\n0.967503 0.412660 0.698597 O\n0.441357 0.724253 0.011859 O\n0.719096 0.276577 0.287889 O\n0.225257 0.000550 0.991471 O\n0.748267 0.455844 0.004887 O\n0.000929 0.992146 0.226660 O\n0.266258 0.255524 0.722340 O\n0.009510 0.749978 0.461284 O\n0.468686 0.998842 0.749687 O\n0.289914 0.543575 0.548112 O\n0.553427 0.265831 0.537657 O\n0.286440 0.733928 0.270864 O\n0.765315 0.767443 0.771298 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Ca",
"Ga",
"Si",
"H",
"O"
],
"chemical_system": "Ca-Ga-H-O-Si",
"density": 3.400781999177643,
"density_atomic": 0.081334650107234,
"volume": 368.84648744965546,
"volume_molar": 7.404151554177996,
"formula_full": "Ca4 Ga4 Si2 H4 O16",
"formula_reduced": "Ca2Ga2Si(HO4)2",
"formula_anonymous": "AB2C2D2E8",
"energy": -202.99688526,
"energy_per_atom": -6.766562842,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -192.00488526,
"band_gap": 3.5092,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007536,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.238000Z",
"spacegroup": 1
},
{
"id": "mp-1020059",
"created_at": "2022-09-04T14:40:17.174764Z",
"structure_string": "Li2 Ge4 N6\n1.0\n2.788112 -4.814222 0.000000\n2.788112 4.814222 0.000000\n0.000000 0.000000 5.101682\nLi Ge N\n2 4 6\ndirect\n0.658506 0.658506 0.488321 Li\n0.341494 0.341494 0.988321 Li\n0.329932 0.003286 0.492655 Ge\n0.003286 0.329932 0.492655 Ge\n0.670068 0.996714 0.992655 Ge\n0.996714 0.670068 0.992655 Ge\n0.335582 0.961441 0.861363 N\n0.961441 0.335582 0.861363 N\n0.664418 0.038559 0.361363 N\n0.038559 0.664418 0.361363 N\n0.701509 0.701509 0.891646 N\n0.298491 0.298491 0.391646 N\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Ge",
"N"
],
"chemical_system": "Ge-Li-N",
"density": 4.710212633799929,
"density_atomic": 0.08761965464593036,
"volume": 136.9555729076063,
"volume_molar": 6.873047815967063,
"formula_full": "Li2 Ge4 N6",
"formula_reduced": "LiGe2N3",
"formula_anonymous": "AB2C3",
"energy": -78.44136675,
"energy_per_atom": -6.5367805625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.27536675,
"band_gap": 3.4359,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001126,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:53.212000Z",
"spacegroup": 36
},
{
"id": "mp-1807788",
"created_at": "2022-09-04T14:40:17.177071Z",
"structure_string": "Ba2 Tl2 Zn3 Cr4 O12\n1.0\n3.867412 0.000000 -0.356123\n-0.032793 3.867273 -0.356123\n0.128582 0.129677 22.574012\nBa Tl Zn Cr O\n2 2 3 4 12\ndirect\n0.162594 0.162594 0.325186 Ba\n0.837406 0.837406 0.674814 Ba\n0.724707 0.724707 0.449414 Tl\n0.275293 0.275293 0.550586 Tl\n0.079103 0.079103 0.158206 Zn\n0.920897 0.920897 0.841794 Zn\n0.000000 0.000000 0.000000 Zn\n0.535499 0.535499 0.070997 Cr\n0.390737 0.390737 0.781474 Cr\n0.609263 0.609263 0.218526 Cr\n0.464501 0.464501 0.929003 Cr\n0.400398 0.900398 0.800796 O\n0.531394 0.031394 0.062789 O\n0.220838 0.220838 0.441676 O\n0.968606 0.468606 0.937211 O\n0.779162 0.779162 0.558324 O\n0.099602 0.599602 0.199204 O\n0.599602 0.099602 0.199204 O\n0.347888 0.347888 0.695775 O\n0.900398 0.400398 0.800796 O\n0.031394 0.531394 0.062789 O\n0.468606 0.968606 0.937211 O\n0.652112 0.652112 0.304225 O\n",
"nsites": 23,
"nelements": 5,
"elements": [
"Ba",
"Tl",
"Zn",
"Cr",
"O"
],
"chemical_system": "Ba-Cr-O-Tl-Zn",
"density": 6.286928031684258,
"density_atomic": 0.0680510105822545,
"volume": 337.98175520405357,
"volume_molar": 8.84945088761162,
"formula_full": "Ba2 Tl2 Zn3 Cr4 O12",
"formula_reduced": "Ba2Tl2Zn3Cr4O12",
"formula_anonymous": "A2B2C3D4E12",
"energy": -150.79900338000002,
"energy_per_atom": -6.556478407826088,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -134.55900338,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.7846638,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.806000Z",
"spacegroup": 139
},
{
"id": "mp-623165",
"created_at": "2022-09-04T14:40:17.180099Z",
"structure_string": "Cs2 Ce10 Os2 I17\n1.0\n9.910282 -0.008707 -0.619108\n-0.945670 11.065431 -3.522775\n-0.007456 0.005648 11.651090\nCs Ce Os I\n2 10 2 17\ndirect\n0.000000 0.825734 0.174266 Cs\n0.000000 0.174266 0.825734 Cs\n0.556962 0.830870 0.830870 Ce\n0.819748 0.292979 0.292979 Ce\n0.427742 0.790683 0.493715 Ce\n0.572258 0.506285 0.209317 Ce\n0.180252 0.707021 0.707021 Ce\n0.679659 0.563160 0.563160 Ce\n0.320341 0.436839 0.436839 Ce\n0.427742 0.493715 0.790683 Ce\n0.572258 0.209317 0.506285 Ce\n0.443038 0.169130 0.169130 Ce\n0.570534 0.358877 0.358877 Os\n0.429466 0.641123 0.641123 Os\n0.420104 0.970480 0.309924 I\n0.862075 0.114129 0.450627 I\n0.420104 0.309924 0.970480 I\n0.725812 0.747332 0.400382 I\n0.130600 0.211063 0.211063 I\n0.579896 0.690076 0.029520 I\n0.274188 0.599618 0.252668 I\n0.862075 0.450627 0.114129 I\n0.274188 0.252668 0.599618 I\n0.579896 0.029520 0.690076 I\n0.725812 0.400382 0.747332 I\n0.718774 0.062088 0.062088 I\n0.137925 0.549373 0.885871 I\n0.000000 0.500000 0.500000 I\n0.869400 0.788937 0.788937 I\n0.137925 0.885871 0.549373 I\n0.281226 0.937912 0.937912 I\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Cs",
"Ce",
"Os",
"I"
],
"chemical_system": "Ce-Cs-I-Os",
"density": 5.464571974782303,
"density_atomic": 0.02426178172987617,
"volume": 1277.7297374589077,
"volume_molar": 24.821510749081895,
"formula_full": "Cs2 Ce10 Os2 I17",
"formula_reduced": "Cs2Ce10Os2I17",
"formula_anonymous": "A2B2C10D17",
"energy": -152.26072735000002,
"energy_per_atom": -4.911636366129033,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -145.81772735,
"band_gap": 0.0196000000000005,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 11.8615236,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:49.407000Z",
"spacegroup": 12
},
{
"id": "mp-1518143",
"created_at": "2022-09-04T14:40:17.182325Z",
"structure_string": "Sr1 Tb1 Eu1 Fe1 O6\n1.0\n0.000000 -4.094293 -4.094293\n4.094293 0.000000 -4.094293\n4.094293 -4.094293 0.000000\nSr Tb Eu Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Tb\n0.250000 0.250000 0.250000 Eu\n0.000000 0.000000 0.000000 Fe\n0.766511 0.233489 0.233489 O\n0.233489 0.766511 0.766511 O\n0.766511 0.233489 0.766511 O\n0.233489 0.766511 0.233489 O\n0.766511 0.766511 0.233489 O\n0.233489 0.233489 0.766511 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Tb",
"Eu",
"Fe",
"O"
],
"chemical_system": "Eu-Fe-O-Sr-Tb",
"density": 6.657664529225811,
"density_atomic": 0.07285061924911049,
"volume": 137.2671928265332,
"volume_molar": 8.266423569314451,
"formula_full": "Sr1 Tb1 Eu1 Fe1 O6",
"formula_reduced": "SrTbEuFeO6",
"formula_anonymous": "ABCDE6",
"energy": -81.91316289,
"energy_per_atom": -8.191316289,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.53516289,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0000004,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.040000Z",
"spacegroup": 216
},
{
"id": "mp-1516532",
"created_at": "2022-09-04T14:40:17.189827Z",
"structure_string": "K1 Ca1 Tb1 Bi1 O6\n1.0\n-0.000000 -4.323008 -4.323008\n4.323008 -0.000000 -4.323008\n4.323008 -4.323008 0.000000\nK Ca Tb Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Tb\n-0.000000 0.000000 -0.000000 Bi\n0.756669 0.243331 0.243331 O\n0.243331 0.756669 0.756669 O\n0.756669 0.243331 0.756669 O\n0.243331 0.756669 0.243331 O\n0.756669 0.756669 0.243331 O\n0.243331 0.243331 0.756669 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Ca",
"Tb",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-K-O-Tb",
"density": 5.581148189162545,
"density_atomic": 0.06188877501799419,
"volume": 161.580189575452,
"volume_molar": 9.730586456508567,
"formula_full": "K1 Ca1 Tb1 Bi1 O6",
"formula_reduced": "KCaTbBiO6",
"formula_anonymous": "ABCDE6",
"energy": -64.10662055,
"energy_per_atom": -6.410662055,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -59.98462055,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.859000Z",
"spacegroup": 216
},
{
"id": "mp-30720",
"created_at": "2022-09-04T14:40:17.477724Z",
"structure_string": "Mn4 Hg10\n1.0\n10.005140 0.000000 0.000000\n0.000000 10.005140 0.000000\n0.000000 0.000000 3.016986\nMn Hg\n4 10\ndirect\n0.319422 0.819422 0.500000 Mn\n0.819422 0.680578 0.500000 Mn\n0.180578 0.319422 0.500000 Mn\n0.680578 0.180578 0.500000 Mn\n0.935778 0.203327 0.000000 Hg\n0.796673 0.935778 0.000000 Hg\n0.296673 0.564222 0.000000 Hg\n0.703327 0.435778 0.000000 Hg\n0.564222 0.703327 0.000000 Hg\n0.435778 0.296673 0.000000 Hg\n0.064222 0.796673 0.000000 Hg\n0.203327 0.064222 0.000000 Hg\n0.000000 0.500000 0.000000 Hg\n0.500000 0.000000 0.000000 Hg\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mn",
"Hg"
],
"chemical_system": "Hg-Mn",
"density": 12.237332412147238,
"density_atomic": 0.04635626114483879,
"volume": 302.00882586836343,
"volume_molar": 12.990997572440099,
"formula_full": "Mn4 Hg10",
"formula_reduced": "Mn2Hg5",
"formula_anonymous": "A2B5",
"energy": -36.3780359,
"energy_per_atom": -2.5984311357142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.3780359,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.4834129,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:58.145000Z",
"spacegroup": 127
}
]
}