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=12125",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-decomposes_to&page=12123",
"results": [
{
"id": "mp-569897",
"created_at": "2022-09-04T14:48:21.796084Z",
"structure_string": "Cs4 B24 Br24\n1.0\n16.450640 -5.074581 0.000000\n16.450640 5.074581 0.000000\n14.885268 0.000000 8.648914\nCs B Br\n4 24 24\ndirect\n0.373386 0.373386 0.373386 Cs\n0.791521 0.791521 0.791521 Cs\n0.208479 0.208479 0.208479 Cs\n0.626614 0.626614 0.626614 Cs\n0.917400 0.118650 0.047810 B\n0.815322 0.138942 0.025774 B\n0.676826 0.446141 0.357150 B\n0.138942 0.025774 0.815322 B\n0.642850 0.323174 0.553859 B\n0.082600 0.881350 0.952190 B\n0.323174 0.553859 0.642850 B\n0.501565 0.556272 0.358631 B\n0.025774 0.815322 0.138942 B\n0.357150 0.676826 0.446141 B\n0.553859 0.642850 0.323174 B\n0.974226 0.184678 0.861058 B\n0.184678 0.861058 0.974226 B\n0.952190 0.082600 0.881350 B\n0.047810 0.917400 0.118650 B\n0.861058 0.974226 0.184678 B\n0.881350 0.952190 0.082600 B\n0.443728 0.641369 0.498435 B\n0.556272 0.358631 0.501565 B\n0.446141 0.357150 0.676826 B\n0.498435 0.443728 0.641369 B\n0.358631 0.501565 0.556272 B\n0.118650 0.047810 0.917400 B\n0.641369 0.498435 0.443728 B\n0.804494 0.497534 0.377918 Br\n0.377918 0.804494 0.497534 Br\n0.054883 0.601250 0.298587 Br\n0.177513 0.743940 0.898405 Br\n0.808957 0.121925 0.614796 Br\n0.743940 0.898405 0.177513 Br\n0.497534 0.377918 0.804494 Br\n0.878075 0.385204 0.191043 Br\n0.701413 0.945117 0.398750 Br\n0.256060 0.101595 0.822487 Br\n0.398750 0.701413 0.945117 Br\n0.502466 0.622082 0.195506 Br\n0.191043 0.878075 0.385204 Br\n0.101595 0.822487 0.256060 Br\n0.121925 0.614796 0.808957 Br\n0.614796 0.808957 0.121925 Br\n0.898405 0.177513 0.743940 Br\n0.822487 0.256060 0.101595 Br\n0.195506 0.502466 0.622082 Br\n0.298587 0.054883 0.601250 Br\n0.622082 0.195506 0.502466 Br\n0.945117 0.398750 0.701413 Br\n0.385204 0.191043 0.878075 Br\n0.601250 0.298587 0.054883 Br\n",
"nsites": 52,
"nelements": 3,
"elements": [
"Cs",
"B",
"Br"
],
"chemical_system": "B-Br-Cs",
"density": 3.114931922377005,
"density_atomic": 0.036010469330074006,
"volume": 1444.024500857377,
"volume_molar": 16.72330539433051,
"formula_full": "Cs4 B24 Br24",
"formula_reduced": "Cs(BBr)6",
"formula_anonymous": "AB6C6",
"energy": -252.71264319,
"energy_per_atom": -4.859858522884616,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -239.89664319,
"band_gap": 2.5949,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0020671,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:06.458000Z",
"spacegroup": 148
},
{
"id": "mp-863394",
"created_at": "2022-09-04T14:48:21.820680Z",
"structure_string": "Li6 V6 P16 O58\n1.0\n4.877624 8.431031 0.000000\n-4.877624 8.431031 0.000000\n0.000000 0.062016 14.312132\nLi V P O\n6 6 16 58\ndirect\n0.907410 0.326152 0.441107 Li\n0.766811 0.327737 0.941609 Li\n0.326152 0.907410 0.941107 Li\n0.327737 0.766811 0.441609 Li\n0.984658 0.959841 0.996639 Li\n0.959841 0.984658 0.496639 Li\n0.564147 0.434977 0.747863 V\n0.434977 0.564147 0.247863 V\n0.566961 0.997087 0.253333 V\n0.440447 0.002638 0.748282 V\n0.997087 0.566961 0.753333 V\n0.002638 0.440447 0.248282 V\n0.915701 0.783279 0.160291 P\n0.783279 0.915701 0.660291 P\n0.914450 0.312621 0.656150 P\n0.664345 0.665156 0.868456 P\n0.665156 0.664345 0.368456 P\n0.776356 0.314775 0.157110 P\n0.694072 0.220350 0.337122 P\n0.312621 0.914450 0.156150 P\n0.696542 0.084936 0.843383 P\n0.314775 0.776356 0.657110 P\n0.220350 0.694072 0.837122 P\n0.329317 0.337589 0.634406 P\n0.337589 0.329317 0.134406 P\n0.084936 0.696542 0.343383 P\n0.219670 0.085548 0.337102 P\n0.085548 0.219670 0.837102 P\n0.008581 0.791953 0.427431 O\n0.915091 0.740427 0.671430 O\n0.791953 0.008581 0.927431 O\n0.740427 0.915091 0.171430 O\n0.921279 0.619913 0.173108 O\n0.811620 0.665979 0.823276 O\n0.913501 0.469777 0.673498 O\n0.990960 0.209431 0.915949 O\n0.914779 0.348520 0.172413 O\n0.665979 0.811620 0.323276 O\n0.619913 0.921279 0.673108 O\n0.814713 0.514423 0.327873 O\n0.663770 0.658432 0.972321 O\n0.658432 0.663770 0.472321 O\n0.669160 0.513137 0.826283 O\n0.469777 0.913501 0.173498 O\n0.514423 0.814713 0.827873 O\n0.742675 0.342785 0.672307 O\n0.791141 0.197665 0.240159 O\n0.798280 0.206662 0.416961 O\n0.785136 0.240342 0.065311 O\n0.618473 0.472586 0.174237 O\n0.513137 0.669160 0.326283 O\n0.653109 0.262544 0.837117 O\n0.472586 0.618473 0.674237 O\n0.348520 0.914779 0.672413 O\n0.799577 0.004125 0.750730 O\n0.798766 0.992656 0.575400 O\n0.209431 0.990960 0.415949 O\n0.655024 0.084454 0.335107 O\n0.538723 0.381052 0.327186 O\n0.342785 0.742675 0.172307 O\n0.477966 0.337538 0.679340 O\n0.381052 0.538723 0.827186 O\n0.206662 0.798280 0.916961 O\n0.240342 0.785136 0.565311 O\n0.197665 0.791141 0.740159 O\n0.262544 0.653109 0.337117 O\n0.480960 0.183469 0.180650 O\n0.541434 0.077410 0.829298 O\n0.337538 0.477966 0.179340 O\n0.334280 0.331405 0.031222 O\n0.331405 0.334280 0.531222 O\n0.183469 0.480960 0.680650 O\n0.381130 0.080273 0.327545 O\n0.334640 0.186609 0.681442 O\n0.084454 0.655024 0.835107 O\n0.004125 0.799577 0.250730 O\n0.992656 0.798766 0.075400 O\n0.077410 0.541434 0.329298 O\n0.186609 0.334640 0.181442 O\n0.080273 0.381131 0.827545 O\n0.260976 0.083254 0.839013 O\n0.237106 0.977534 0.063992 O\n0.194349 0.017616 0.238854 O\n0.083254 0.260976 0.339013 O\n0.977534 0.237106 0.563992 O\n0.017616 0.194349 0.738854 O\n",
"nsites": 86,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.4980733319789903,
"density_atomic": 0.07305923449759157,
"volume": 1177.1270338568224,
"volume_molar": 8.242819407310547,
"formula_full": "Li6 V6 P16 O58",
"formula_reduced": "Li3V3P8O29",
"formula_anonymous": "A3B3C8D29",
"energy": -657.3998357400001,
"energy_per_atom": -7.644184136511629,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -607.35383574,
"band_gap": 1.2322,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 5.29e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:40.924000Z",
"spacegroup": 9
},
{
"id": "mp-761033",
"created_at": "2022-09-04T14:48:21.827812Z",
"structure_string": "Hf6 N4 O6\n1.0\n2.024716 5.251651 0.000000\n-2.024716 5.251651 0.000000\n0.000000 0.058040 10.572864\nHf N O\n6 4 6\ndirect\n0.854538 0.854538 0.565436 Hf\n0.853133 0.853133 0.937276 Hf\n0.806896 0.806896 0.248087 Hf\n0.192460 0.192460 0.756537 Hf\n0.142069 0.142069 0.058531 Hf\n0.138069 0.138069 0.437672 Hf\n0.700367 0.700367 0.426629 N\n0.696879 0.696879 0.080831 N\n0.762359 0.762359 0.744496 N\n0.299042 0.299042 0.925635 N\n0.954594 0.954594 0.117047 O\n0.956972 0.956972 0.381420 O\n0.046720 0.046720 0.612621 O\n0.044046 0.044046 0.884237 O\n0.306895 0.306895 0.571199 O\n0.244963 0.244963 0.252347 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Hf",
"N",
"O"
],
"chemical_system": "Hf-N-O",
"density": 9.031915646673344,
"density_atomic": 0.07116023425792022,
"volume": 224.84467858843766,
"volume_molar": 8.46278939747831,
"formula_full": "Hf6 N4 O6",
"formula_reduced": "Hf3N2O3",
"formula_anonymous": "A2B3C3",
"energy": -172.56521319,
"energy_per_atom": -10.785325824375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -166.99921319,
"band_gap": 2.9849,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008764,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:02.380000Z",
"spacegroup": 8
},
{
"id": "mp-1103235",
"created_at": "2022-09-04T14:48:21.828371Z",
"structure_string": "Cu4 Te8\n1.0\n6.621840 0.000000 0.000000\n0.000000 6.621840 0.000000\n0.000000 0.000000 6.621840\nCu Te\n4 8\ndirect\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.124895 0.875105 0.375105 Te\n0.875105 0.375105 0.124895 Te\n0.375105 0.124895 0.875105 Te\n0.624895 0.624895 0.624895 Te\n0.875105 0.124895 0.624895 Te\n0.124895 0.624895 0.875105 Te\n0.624895 0.875105 0.124895 Te\n0.375105 0.375105 0.375105 Te\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Cu",
"Te"
],
"chemical_system": "Cu-Te",
"density": 7.291515166663657,
"density_atomic": 0.04132807693508117,
"volume": 290.3595059322455,
"volume_molar": 14.571548464400314,
"formula_full": "Cu4 Te8",
"formula_reduced": "CuTe2",
"formula_anonymous": "AB2",
"energy": -44.91803566,
"energy_per_atom": -3.7431696383333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.54203566,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001244,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:10.681000Z",
"spacegroup": 205
},
{
"id": "mp-768906",
"created_at": "2022-09-04T14:48:21.835123Z",
"structure_string": "Y2 Br2 O2\n1.0\n3.868339 0.000000 0.000000\n0.000000 3.868339 0.000000\n0.000000 0.000000 8.793439\nY Br O\n2 2 2\ndirect\n0.000000 0.500000 0.129447 Y\n0.500000 0.000000 0.870553 Y\n0.000000 0.500000 0.679180 Br\n0.500000 0.000000 0.320820 Br\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"Br",
"O"
],
"chemical_system": "Br-O-Y",
"density": 4.664391442778788,
"density_atomic": 0.045597753096006596,
"volume": 131.58543113663805,
"volume_molar": 13.207099804502018,
"formula_full": "Y2 Br2 O2",
"formula_reduced": "YBrO",
"formula_anonymous": "ABC",
"energy": -45.99067703,
"energy_per_atom": -7.665112838333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.54867703,
"band_gap": 4.4849,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001528,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:13.726000Z",
"spacegroup": 129
},
{
"id": "mp-1226233",
"created_at": "2022-09-04T14:48:22.202550Z",
"structure_string": "Cr1 Ga1 Fe1 Se4\n1.0\n12.815687 -1.921216 0.000000\n12.815687 1.921216 0.000000\n12.527675 0.000000 3.315156\nCr Ga Fe Se\n1 1 1 4\ndirect\n0.500314 0.500314 0.500314 Cr\n0.069680 0.069680 0.069680 Ga\n0.931899 0.931899 0.931899 Fe\n0.707828 0.707828 0.707828 Se\n0.289697 0.289697 0.289697 Se\n0.867780 0.867780 0.867780 Se\n0.132803 0.132803 0.132803 Se\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Cr",
"Ga",
"Fe",
"Se"
],
"chemical_system": "Cr-Fe-Ga-Se",
"density": 5.018798959933405,
"density_atomic": 0.0428791322474088,
"volume": 163.24957230035858,
"volume_molar": 14.044455762893662,
"formula_full": "Cr1 Ga1 Fe1 Se4",
"formula_reduced": "CrGaFeSe4",
"formula_anonymous": "ABCD4",
"energy": -39.59070331,
"energy_per_atom": -5.655814758571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.70270331,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.6527261,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:34.858000Z",
"spacegroup": 160
},
{
"id": "mp-1219162",
"created_at": "2022-09-04T14:48:21.804234Z",
"structure_string": "Sm6 Ge3 Se14\n1.0\n5.300512 -9.180756 0.000000\n5.300512 9.180756 0.000000\n0.000000 0.000000 6.065001\nSm Ge Se\n6 3 14\ndirect\n0.309625 0.106735 0.753132 Sm\n0.797111 0.690375 0.753132 Sm\n0.893265 0.202889 0.753132 Sm\n0.024258 0.560518 0.251684 Sm\n0.536261 0.975742 0.251684 Sm\n0.439482 0.463739 0.251684 Sm\n0.000000 0.000000 0.171654 Ge\n0.333333 0.666667 0.669904 Ge\n0.666667 0.333333 0.516789 Ge\n0.000000 0.000000 0.559401 Se\n0.333333 0.666667 0.057882 Se\n0.150578 0.235724 0.006908 Se\n0.085146 0.849422 0.006908 Se\n0.764276 0.914854 0.006908 Se\n0.182800 0.431461 0.504814 Se\n0.248661 0.817200 0.504814 Se\n0.568539 0.751339 0.504814 Se\n0.408462 0.171685 0.276373 Se\n0.763224 0.591538 0.276373 Se\n0.828315 0.236776 0.276373 Se\n0.925137 0.497751 0.769891 Se\n0.572614 0.074863 0.769891 Se\n0.502249 0.427386 0.769891 Se\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Sm",
"Ge",
"Se"
],
"chemical_system": "Ge-Se-Sm",
"density": 6.260708152038897,
"density_atomic": 0.03896464253403257,
"volume": 590.2787374453981,
"volume_molar": 15.455398454483781,
"formula_full": "Sm6 Ge3 Se14",
"formula_reduced": "Sm6Ge3Se14",
"formula_anonymous": "A3B6C14",
"energy": -127.98555697,
"energy_per_atom": -5.564589433478261,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -121.37755697,
"band_gap": 1.1326,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004673,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:09.311000Z",
"spacegroup": 143
},
{
"id": "mp-1047842",
"created_at": "2022-09-04T14:48:21.819894Z",
"structure_string": "Ba1 Mo4 O8\n1.0\n2.954278 -5.116959 0.000000\n2.954278 5.116959 0.000000\n0.000000 0.000000 7.885657\nBa Mo O\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.746491 Mo\n0.666667 0.333333 0.746491 Mo\n0.333333 0.666667 0.253509 Mo\n0.666667 0.333333 0.253509 Mo\n0.337436 0.337436 0.707006 O\n0.662564 0.000000 0.707006 O\n0.000000 0.662564 0.707006 O\n0.662564 0.662564 0.292994 O\n0.000000 0.337436 0.292994 O\n0.337436 0.000000 0.292994 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ba",
"Mo",
"O"
],
"chemical_system": "Ba-Mo-O",
"density": 4.5208242197881425,
"density_atomic": 0.05452707184983149,
"volume": 238.41368257958592,
"volume_molar": 11.044313504647892,
"formula_full": "Ba1 Mo4 O8",
"formula_reduced": "Ba(MoO2)4",
"formula_anonymous": "AB4C8",
"energy": -105.45271423,
"energy_per_atom": -8.111747248461539,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.14871423,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0248583,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:10.987000Z",
"spacegroup": 162
},
{
"id": "mp-753719",
"created_at": "2022-09-04T14:48:21.827240Z",
"structure_string": "Sr1 Li1 Nb2 O6 F1\n1.0\n-1.937340 1.937340 10.446668\n1.937340 -1.937340 10.446668\n1.937340 1.937340 -10.446668\nSr Li Nb O F\n1 1 2 6 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500000 Li\n0.617827 0.617827 0.000000 Nb\n0.382173 0.382173 0.000000 Nb\n0.704138 0.704138 0.000000 O\n0.592945 0.092945 0.500000 O\n0.907055 0.407055 0.500000 O\n0.295862 0.295862 0.000000 O\n0.091824 0.591824 0.500000 O\n0.408176 0.908176 0.500000 O\n0.500000 0.500000 0.000000 F\n",
"nsites": 11,
"nelements": 5,
"elements": [
"Sr",
"Li",
"Nb",
"O",
"F"
],
"chemical_system": "F-Li-Nb-O-Sr",
"density": 4.186024414516485,
"density_atomic": 0.07013635798218958,
"volume": 156.8373425205988,
"volume_molar": 8.586332300757993,
"formula_full": "Sr1 Li1 Nb2 O6 F1",
"formula_reduced": "SrLiNb2O6F",
"formula_anonymous": "ABCD2E6",
"energy": -90.51709035,
"energy_per_atom": -8.228826395454545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.93309035,
"band_gap": 1.7698999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011312,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:51.739000Z",
"spacegroup": 119
},
{
"id": "mp-1199426",
"created_at": "2022-09-04T14:48:21.874218Z",
"structure_string": "Zn4 N12 Cl20\n1.0\n9.453752 0.000000 0.000000\n0.000000 7.732255 0.000000\n0.000000 0.000000 13.692162\nZn N Cl\n4 12 20\ndirect\n0.699620 0.250000 0.321222 Zn\n0.199620 0.250000 0.178778 Zn\n0.300380 0.750000 0.678778 Zn\n0.800380 0.750000 0.821222 Zn\n0.955937 0.250000 0.878862 N\n0.455937 0.250000 0.621138 N\n0.044063 0.750000 0.121138 N\n0.544063 0.750000 0.378862 N\n0.912501 0.931133 0.612917 N\n0.412501 0.568867 0.887083 N\n0.087499 0.431133 0.387083 N\n0.587499 0.068867 0.112917 N\n0.087499 0.068867 0.387083 N\n0.587499 0.431133 0.112917 N\n0.912501 0.568867 0.612917 N\n0.412501 0.931133 0.887083 N\n0.878689 0.250000 0.217454 Cl\n0.378689 0.250000 0.282546 Cl\n0.121311 0.750000 0.782546 Cl\n0.621311 0.750000 0.717454 Cl\n0.584947 0.250000 0.073907 Cl\n0.084947 0.250000 0.426093 Cl\n0.415053 0.750000 0.926093 Cl\n0.915053 0.750000 0.573907 Cl\n0.581574 0.250000 0.699582 Cl\n0.081574 0.250000 0.800418 Cl\n0.418426 0.750000 0.300418 Cl\n0.918426 0.750000 0.199582 Cl\n0.661985 0.008877 0.407976 Cl\n0.161985 0.491123 0.092024 Cl\n0.338015 0.508877 0.592024 Cl\n0.838015 0.991123 0.907976 Cl\n0.338015 0.991123 0.592024 Cl\n0.838015 0.508877 0.907976 Cl\n0.661985 0.491123 0.407976 Cl\n0.161985 0.008877 0.092024 Cl\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Zn",
"N",
"Cl"
],
"chemical_system": "Cl-N-Zn",
"density": 1.8893183969517886,
"density_atomic": 0.035968315457713444,
"volume": 1000.8809014790756,
"volume_molar": 16.742904646396347,
"formula_full": "Zn4 N12 Cl20",
"formula_reduced": "ZnN3Cl5",
"formula_anonymous": "AB3C5",
"energy": -124.54955066,
"energy_per_atom": -3.4597097405555552,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -112.26955066,
"band_gap": 0.6449999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 8.2408938,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:07.354000Z",
"spacegroup": 62
},
{
"id": "mp-1186377",
"created_at": "2022-09-04T14:48:21.880556Z",
"structure_string": "Os2 Rh6\n1.0\n2.745984 -4.756184 0.000000\n2.745984 4.756184 0.000000\n0.000000 0.000000 4.384308\nOs Rh\n2 6\ndirect\n0.333333 0.666667 0.750000 Os\n0.666667 0.333333 0.250000 Os\n0.831669 0.168331 0.750000 Rh\n0.336663 0.168331 0.750000 Rh\n0.831669 0.663337 0.750000 Rh\n0.168331 0.831669 0.250000 Rh\n0.663337 0.831669 0.250000 Rh\n0.168331 0.336663 0.250000 Rh\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Os",
"Rh"
],
"chemical_system": "Os-Rh",
"density": 14.469228395115287,
"density_atomic": 0.06985577019907778,
"volume": 114.52167769679268,
"volume_molar": 8.620820789517976,
"formula_full": "Os2 Rh6",
"formula_reduced": "OsRh3",
"formula_anonymous": "AB3",
"energy": -65.93048297,
"energy_per_atom": -8.24131037125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.93048297,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002855,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:12.046000Z",
"spacegroup": 194
},
{
"id": "mp-756224",
"created_at": "2022-09-04T14:48:21.882158Z",
"structure_string": "Tb4 Gd4 O12\n1.0\n5.784414 0.000000 0.000000\n0.000000 6.033436 0.000000\n0.000000 0.000000 8.490438\nTb Gd O\n4 4 12\ndirect\n0.500000 0.000000 0.000000 Tb\n0.500000 0.000000 0.500000 Tb\n0.000000 0.500000 0.000000 Tb\n0.000000 0.500000 0.500000 Tb\n0.988923 0.048223 0.250000 Gd\n0.488923 0.451777 0.750000 Gd\n0.511077 0.548223 0.250000 Gd\n0.011077 0.951777 0.750000 Gd\n0.645776 0.079898 0.750000 O\n0.176608 0.180175 0.575036 O\n0.176608 0.180175 0.924964 O\n0.676608 0.319825 0.424964 O\n0.676608 0.319825 0.075036 O\n0.145776 0.420102 0.250000 O\n0.854224 0.579898 0.750000 O\n0.323392 0.680175 0.575036 O\n0.323392 0.680175 0.924964 O\n0.823392 0.819825 0.075036 O\n0.823392 0.819825 0.424964 O\n0.354224 0.920102 0.250000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tb",
"Gd",
"O"
],
"chemical_system": "Gd-O-Tb",
"density": 8.163254091638267,
"density_atomic": 0.06749565587132882,
"volume": 296.31536640116883,
"volume_molar": 8.922264229094068,
"formula_full": "Tb4 Gd4 O12",
"formula_reduced": "TbGdO3",
"formula_anonymous": "ABC3",
"energy": -211.11652146,
"energy_per_atom": -10.555826073,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -202.87252146,
"band_gap": 3.0933,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 28.3826443,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:12.729000Z",
"spacegroup": 62
}
]
}