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=energy_above_hull&page=12168",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_above_hull&page=12166",
"results": [
{
"id": "mp-1236368",
"created_at": "2022-09-04T14:42:44.364417Z",
"structure_string": "Ba4 Li1 Ge4 O12\n1.0\n4.714742 0.029159 -0.022586\n0.035214 5.940828 -0.084162\n-0.067814 -0.194799 13.008092\nBa Li Ge O\n4 1 4 12\ndirect\n0.259642 0.790902 0.852801 Ba\n0.765702 0.671697 0.139635 Ba\n0.700937 0.301866 0.646116 Ba\n0.215686 0.123190 0.340348 Ba\n0.156760 0.457028 0.518585 Li\n0.806642 0.283340 0.923956 Ge\n0.312482 0.186962 0.077217 Ge\n0.200514 0.865291 0.590832 Ge\n0.693334 0.710184 0.435960 Ge\n0.751692 0.572676 0.908857 O\n0.254916 0.906320 0.106988 O\n0.247227 0.156823 0.543961 O\n0.803600 0.427225 0.431130 O\n0.729381 0.088755 0.825473 O\n0.246637 0.393395 0.172258 O\n0.230647 0.589624 0.662655 O\n0.740550 0.872670 0.326114 O\n0.314418 0.723930 0.461145 O\n0.812286 0.840266 0.556780 O\n0.693144 0.206713 0.051721 O\n0.188805 0.247812 0.947876 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ba",
"Li",
"Ge",
"O"
],
"chemical_system": "Ba-Ge-Li-O",
"density": 4.735674188515734,
"density_atomic": 0.057652655963680174,
"volume": 364.2503480365156,
"volume_molar": 10.44555651311851,
"formula_full": "Ba4 Li1 Ge4 O12",
"formula_reduced": "Ba4Li(GeO3)4",
"formula_anonymous": "AB4C4D12",
"energy": -140.7802559,
"energy_per_atom": -6.703821709523809,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -132.5362559,
"band_gap": 0.2366999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.970000Z",
"spacegroup": 1
},
{
"id": "mp-17391",
"created_at": "2022-09-04T14:42:44.374573Z",
"structure_string": "Sm9 Rh6\n1.0\n6.118573 -4.401757 0.000000\n6.118573 4.401757 0.000000\n2.951909 0.000000 6.935317\nSm Rh\n9 6\ndirect\n0.338221 0.834355 0.108069 Sm\n0.108069 0.338221 0.834355 Sm\n0.834355 0.108069 0.338221 Sm\n0.165645 0.891931 0.661779 Sm\n0.891931 0.661779 0.165645 Sm\n0.661779 0.165645 0.891931 Sm\n0.296890 0.296890 0.296890 Sm\n0.703110 0.703110 0.703110 Sm\n0.500000 0.500000 0.500000 Sm\n0.455517 0.090324 0.663851 Rh\n0.090324 0.663851 0.455517 Rh\n0.663851 0.455517 0.090324 Rh\n0.544483 0.909676 0.336149 Rh\n0.909676 0.336149 0.544483 Rh\n0.336149 0.544483 0.909676 Rh\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Sm",
"Rh"
],
"chemical_system": "Rh-Sm",
"density": 8.759738510262848,
"density_atomic": 0.0401530682775572,
"volume": 373.5704553463469,
"volume_molar": 14.997959105819971,
"formula_full": "Sm9 Rh6",
"formula_reduced": "Sm3Rh2",
"formula_anonymous": "A2B3",
"energy": -96.70268832,
"energy_per_atom": -6.4468458879999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -96.70268832,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1402819,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:56.063000Z",
"spacegroup": 148
},
{
"id": "mp-1199138",
"created_at": "2022-09-04T14:42:44.457244Z",
"structure_string": "Mg2 H36 Br4 O18\n1.0\n0.000000 -6.522468 0.000000\n-6.030097 3.261234 0.249386\n0.104597 0.000000 -16.155847\nMg H Br O\n2 36 4 18\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.725219 0.449946 0.957174 H\n0.275274 0.550054 0.542826 H\n0.274781 0.550054 0.042826 H\n0.724726 0.449946 0.457174 H\n0.728329 0.437238 0.055118 H\n0.291091 0.562762 0.444882 H\n0.271671 0.562762 0.944882 H\n0.708909 0.437238 0.555118 H\n0.824931 0.616158 0.825384 H\n0.208773 0.383842 0.674616 H\n0.175069 0.383842 0.174616 H\n0.791227 0.616158 0.325384 H\n0.525483 0.971856 0.831323 H\n0.553627 0.028144 0.668677 H\n0.474517 0.028144 0.168677 H\n0.446373 0.971856 0.331323 H\n0.068726 0.864466 0.926462 H\n0.204260 0.135534 0.573538 H\n0.931274 0.135534 0.073538 H\n0.795740 0.864466 0.426462 H\n0.787434 0.092919 0.864809 H\n0.694515 0.907081 0.635191 H\n0.212566 0.907081 0.135191 H\n0.305485 0.092919 0.364809 H\n0.330177 0.122517 0.766816 H\n0.207660 0.877483 0.733184 H\n0.669823 0.877483 0.233184 H\n0.792340 0.122517 0.266816 H\n0.214917 0.122359 0.917381 H\n0.092558 0.877641 0.582619 H\n0.785083 0.877641 0.082619 H\n0.907442 0.122359 0.417381 H\n0.712261 0.726887 0.881722 H\n0.985374 0.273113 0.618278 H\n0.287739 0.273113 0.118278 H\n0.014626 0.726887 0.381722 H\n0.833221 0.655553 0.177864 Br\n0.177669 0.344447 0.322136 Br\n0.166779 0.344447 0.822136 Br\n0.822331 0.655553 0.677864 Br\n0.211253 0.999046 0.947759 O\n0.212207 0.000954 0.552241 O\n0.788747 0.000954 0.052241 O\n0.787793 0.999046 0.447759 O\n0.679700 0.345542 0.002768 O\n0.334158 0.654458 0.497232 O\n0.320300 0.654458 0.997232 O\n0.665842 0.345542 0.502768 O\n0.628189 0.978987 0.878569 O\n0.649201 0.021013 0.621431 O\n0.371811 0.021013 0.121431 O\n0.350799 0.978987 0.378569 O\n0.810632 0.653993 0.884098 O\n0.156639 0.346007 0.615902 O\n0.189368 0.346007 0.115902 O\n0.843361 0.653993 0.384098 O\n0.363606 0.000000 0.750000 O\n0.636394 0.000000 0.250000 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
"Mg",
"H",
"Br",
"O"
],
"chemical_system": "Br-H-Mg-O",
"density": 1.8101719899400301,
"density_atomic": 0.0944499132621839,
"volume": 635.2573329892401,
"volume_molar": 6.376015130138993,
"formula_full": "Mg2 H36 Br4 O18",
"formula_reduced": "MgH18Br2O9",
"formula_anonymous": "AB2C9D18",
"energy": -302.33296692,
"energy_per_atom": -5.038882782,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -287.83096692,
"band_gap": 4.4417,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.31e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:54.220000Z",
"spacegroup": 15
},
{
"id": "mp-1217353",
"created_at": "2022-09-04T14:42:44.489017Z",
"structure_string": "Th6 Si2 Ge2\n1.0\n0.000000 0.000000 4.129945\n7.951478 0.020930 0.000000\n0.020930 7.951478 0.000000\nTh Si Ge\n6 2 2\ndirect\n0.000000 0.500000 0.500000 Th\n0.000000 0.000000 0.000000 Th\n0.500000 0.177752 0.677752 Th\n0.500000 0.822248 0.322248 Th\n0.500000 0.316794 0.183206 Th\n0.500000 0.683206 0.816794 Th\n0.000000 0.886823 0.613177 Si\n0.000000 0.113177 0.386823 Si\n0.000000 0.617764 0.117764 Ge\n0.000000 0.382236 0.882236 Ge\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Th",
"Si",
"Ge"
],
"chemical_system": "Ge-Si-Th",
"density": 10.134750536787296,
"density_atomic": 0.038296846814349354,
"volume": 261.1181032338444,
"volume_molar": 15.724899726584221,
"formula_full": "Th6 Si2 Ge2",
"formula_reduced": "Th3SiGe",
"formula_anonymous": "ABC3",
"energy": -71.34349026,
"energy_per_atom": -7.134349026,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.34349026,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0057001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.467000Z",
"spacegroup": 65
},
{
"id": "mp-1028279",
"created_at": "2022-09-04T14:42:44.633679Z",
"structure_string": "Mg14 V1 W1\n1.0\n6.240636 0.000000 -0.000000\n-3.120318 5.404549 -0.000000\n0.000000 -0.000000 9.979799\nMg V W\n14 1 1\ndirect\n0.168999 0.834499 0.125000 Mg\n0.168441 0.834220 0.625000 Mg\n0.665501 0.331001 0.125000 Mg\n0.665780 0.331559 0.625000 Mg\n0.665501 0.834499 0.125000 Mg\n0.665780 0.834220 0.625000 Mg\n0.326093 0.173907 0.379368 Mg\n0.326093 0.173907 0.870632 Mg\n0.326093 0.652187 0.379368 Mg\n0.326093 0.652187 0.870632 Mg\n0.847813 0.173907 0.379368 Mg\n0.847813 0.173907 0.870632 Mg\n0.833333 0.666667 0.375073 Mg\n0.833333 0.666667 0.874927 Mg\n0.166667 0.333333 0.125000 V\n0.166667 0.333333 0.625000 W\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"V",
"W"
],
"chemical_system": "Mg-V-W",
"density": 2.8369111416976027,
"density_atomic": 0.047534603700209066,
"volume": 336.59689477814305,
"volume_molar": 12.66896174833054,
"formula_full": "Mg14 V1 W1",
"formula_reduced": "Mg14VW",
"formula_anonymous": "ABC14",
"energy": -40.76031995,
"energy_per_atom": -2.547519996875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.76031995,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9568523,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.915000Z",
"spacegroup": 187
},
{
"id": "mp-1212571",
"created_at": "2022-09-04T14:42:44.674105Z",
"structure_string": "Mn8 P8 O56\n1.0\n9.509355 0.000000 0.000000\n0.000000 10.053043 0.000000\n0.000000 0.000000 11.383209\nMn P O\n8 8 56\ndirect\n0.758583 0.572054 0.261133 Mn\n0.241417 0.427946 0.738867 Mn\n0.241417 0.927946 0.761133 Mn\n0.258583 0.427946 0.238867 Mn\n0.758583 0.072054 0.238867 Mn\n0.741417 0.572054 0.761133 Mn\n0.741417 0.072054 0.738867 Mn\n0.258583 0.927946 0.261133 Mn\n0.953058 0.830094 0.343196 P\n0.046942 0.169906 0.656804 P\n0.046942 0.669906 0.843196 P\n0.453058 0.169906 0.156804 P\n0.953058 0.330094 0.156804 P\n0.546942 0.830094 0.843196 P\n0.546942 0.330094 0.656804 P\n0.453058 0.669906 0.343196 P\n0.881801 0.729988 0.262616 O\n0.118199 0.270012 0.737384 O\n0.118199 0.770012 0.762616 O\n0.381801 0.270012 0.237384 O\n0.881801 0.229988 0.237384 O\n0.618199 0.729988 0.762616 O\n0.618199 0.229988 0.737384 O\n0.381801 0.770012 0.262616 O\n0.670150 0.652165 0.009587 O\n0.329850 0.347835 0.990413 O\n0.329850 0.847835 0.509587 O\n0.170150 0.347835 0.490413 O\n0.670150 0.152165 0.490413 O\n0.829850 0.652165 0.509587 O\n0.829850 0.152165 0.990413 O\n0.170150 0.847835 0.009587 O\n0.907740 0.975295 0.319182 O\n0.092260 0.024705 0.680818 O\n0.092260 0.524705 0.819182 O\n0.407740 0.024705 0.180818 O\n0.907740 0.475295 0.180818 O\n0.592260 0.975295 0.819182 O\n0.592260 0.475295 0.680818 O\n0.407740 0.524705 0.319182 O\n0.852208 0.056010 0.056824 O\n0.147792 0.943990 0.943176 O\n0.147792 0.443990 0.556824 O\n0.352208 0.943990 0.443176 O\n0.852208 0.556010 0.443176 O\n0.647792 0.056010 0.556824 O\n0.647792 0.556010 0.943176 O\n0.352208 0.443990 0.056824 O\n0.637912 0.945918 0.269299 O\n0.362088 0.054082 0.730701 O\n0.362088 0.554082 0.769299 O\n0.137912 0.054082 0.230701 O\n0.637912 0.445918 0.230701 O\n0.862088 0.945918 0.769299 O\n0.862088 0.445918 0.730701 O\n0.137912 0.554082 0.269299 O\n0.615002 0.677540 0.334734 O\n0.384998 0.322460 0.665266 O\n0.384998 0.822460 0.834734 O\n0.115002 0.322460 0.165266 O\n0.615002 0.177540 0.165266 O\n0.884998 0.677540 0.834734 O\n0.884998 0.177540 0.665266 O\n0.115002 0.822460 0.334734 O\n0.583517 0.801697 0.978771 O\n0.416483 0.198303 0.021229 O\n0.416483 0.698303 0.478771 O\n0.083517 0.198303 0.521229 O\n0.583517 0.301697 0.521229 O\n0.916483 0.801697 0.478771 O\n0.916483 0.301697 0.021229 O\n0.083517 0.698303 0.978771 O\n",
"nsites": 72,
"nelements": 3,
"elements": [
"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P",
"density": 2.4159517773743313,
"density_atomic": 0.06616360891056335,
"volume": 1088.2114985191633,
"volume_molar": 9.101892806573519,
"formula_full": "Mn8 P8 O56",
"formula_reduced": "MnPO7",
"formula_anonymous": "ABC7",
"energy": -473.90774975,
"energy_per_atom": -6.582052079861111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -451.54774975,
"band_gap": 0.5972999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 15.99987,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.054000Z",
"spacegroup": 61
},
{
"id": "mp-1209977",
"created_at": "2022-09-04T14:42:44.685436Z",
"structure_string": "Nd4 As4 O8\n1.0\n-3.305170 3.305170 6.001467\n3.305170 -3.305170 6.001467\n3.305170 3.305170 -6.001467\nNd As O\n4 4 8\ndirect\n0.875000 0.625000 0.250000 Nd\n0.375000 0.625000 0.750000 Nd\n0.375000 0.625000 0.250000 Nd\n0.375000 0.125000 0.750000 Nd\n0.375000 0.125000 0.250000 As\n0.875000 0.125000 0.750000 As\n0.875000 0.125000 0.250000 As\n0.875000 0.625000 0.750000 As\n0.171878 0.416204 0.244327 O\n0.171878 0.927551 0.755673 O\n0.166204 0.421878 0.744327 O\n0.578122 0.833796 0.255673 O\n0.677551 0.421878 0.255673 O\n0.578122 0.322449 0.744327 O\n0.583796 0.828122 0.755673 O\n0.072449 0.828122 0.244327 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Nd",
"As",
"O"
],
"chemical_system": "As-Nd-O",
"density": 6.361487748348873,
"density_atomic": 0.06101195828167181,
"volume": 262.2436723983412,
"volume_molar": 9.87042692876336,
"formula_full": "Nd4 As4 O8",
"formula_reduced": "NdAsO2",
"formula_anonymous": "ABC2",
"energy": -108.85690953,
"energy_per_atom": -6.803556845625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -103.36090953,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002162,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.851000Z",
"spacegroup": 141
},
{
"id": "mp-12761",
"created_at": "2022-09-04T14:42:44.692021Z",
"structure_string": "Be1 Au2\n1.0\n-1.469731 1.469731 5.114479\n1.469731 -1.469731 5.114479\n1.469731 1.469731 -5.114479\nBe Au\n1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.358403 0.358403 0.000000 Au\n0.641597 0.641597 0.000000 Au\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Be",
"Au"
],
"chemical_system": "Au-Be",
"density": 15.141123901598716,
"density_atomic": 0.06788661506097532,
"volume": 44.1913328173075,
"volume_molar": 8.870880886594438,
"formula_full": "Be1 Au2",
"formula_reduced": "BeAu2",
"formula_anonymous": "AB2",
"energy": -10.69448173,
"energy_per_atom": -3.5648272433333332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.69448173,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.35e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:08.759000Z",
"spacegroup": 139
},
{
"id": "mp-756362",
"created_at": "2022-09-04T14:42:45.518358Z",
"structure_string": "Li4 Cr4 O8\n1.0\n2.953356 5.129190 0.009768\n-2.953364 1.718934 4.832575\n5.918675 -0.006907 0.009769\nLi Cr O\n4 4 8\ndirect\n0.499953 0.499955 0.500041 Li\n0.999902 0.500043 0.000081 Li\n0.500022 0.999951 0.499972 Li\n0.499986 0.500027 0.000083 Li\n0.500034 0.000022 0.999975 Cr\n0.000054 0.000313 0.500326 Cr\n0.000475 0.999681 0.999630 Cr\n0.999687 0.500004 0.499818 Cr\n0.243255 0.241141 0.484444 O\n0.772287 0.243258 0.484391 O\n0.243310 0.772267 0.015682 O\n0.758918 0.756693 0.984334 O\n0.241098 0.243341 0.015517 O\n0.756689 0.227698 0.984485 O\n0.227721 0.756639 0.515581 O\n0.756610 0.758966 0.515642 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O",
"density": 4.111590520886858,
"density_atomic": 0.10891441937812944,
"volume": 146.90433178045183,
"volume_molar": 5.52924102647264,
"formula_full": "Li4 Cr4 O8",
"formula_reduced": "LiCrO2",
"formula_anonymous": "ABC2",
"energy": -124.34462839,
"energy_per_atom": -7.771539274375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.85262839,
"band_gap": 2.7471000000000005,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.014000Z",
"spacegroup": 227
},
{
"id": "mp-774926",
"created_at": "2022-09-04T14:42:44.391526Z",
"structure_string": "Eu4 H16 S8 N4 O32\n1.0\n7.220849 0.000000 0.000000\n0.000000 8.996478 0.000000\n0.000000 0.257261 10.876215\nEu H S N O\n4 16 8 4 32\ndirect\n0.329119 0.947667 0.848088 Eu\n0.170881 0.947667 0.348088 Eu\n0.829119 0.052333 0.651912 Eu\n0.670881 0.052333 0.151912 Eu\n0.548208 0.649090 0.653095 H\n0.951792 0.649090 0.153095 H\n0.769264 0.601593 0.617967 H\n0.730736 0.601593 0.117967 H\n0.668679 0.536270 0.747995 H\n0.831321 0.536270 0.247995 H\n0.100408 0.526515 0.887824 H\n0.399592 0.526515 0.387824 H\n0.600408 0.473485 0.612176 H\n0.899592 0.473485 0.112176 H\n0.168679 0.463730 0.752005 H\n0.331321 0.463730 0.252005 H\n0.269264 0.398407 0.882033 H\n0.230736 0.398407 0.382033 H\n0.048208 0.350910 0.846905 H\n0.451792 0.350910 0.346905 H\n0.832238 0.825139 0.886807 S\n0.667762 0.825139 0.386807 S\n0.164615 0.736600 0.584829 S\n0.335385 0.736600 0.084829 S\n0.664615 0.263400 0.915171 S\n0.835385 0.263400 0.415171 S\n0.332238 0.174861 0.613193 S\n0.167762 0.174861 0.113193 S\n0.646618 0.565977 0.657107 N\n0.853382 0.565977 0.157107 N\n0.146618 0.434023 0.842893 N\n0.353382 0.434023 0.342893 N\n0.988604 0.899444 0.816491 O\n0.511396 0.899444 0.316491 O\n0.672883 0.885762 0.511559 O\n0.664814 0.871021 0.811470 O\n0.049783 0.873555 0.558071 O\n0.827117 0.885762 0.011559 O\n0.835186 0.871021 0.311470 O\n0.450217 0.873555 0.058071 O\n0.307084 0.768481 0.679828 O\n0.192916 0.768481 0.179828 O\n0.241899 0.712322 0.964524 O\n0.258101 0.712322 0.464524 O\n0.849023 0.663664 0.890862 O\n0.650977 0.663664 0.390862 O\n0.048373 0.611339 0.623456 O\n0.451627 0.611339 0.123456 O\n0.548373 0.388661 0.876544 O\n0.951627 0.388661 0.376544 O\n0.349023 0.336336 0.609138 O\n0.150977 0.336336 0.109138 O\n0.741899 0.287678 0.535476 O\n0.758101 0.287678 0.035476 O\n0.807084 0.231519 0.820172 O\n0.692916 0.231519 0.320172 O\n0.549783 0.126445 0.941929 O\n0.164814 0.128979 0.688530 O\n0.172883 0.114238 0.988441 O\n0.950217 0.126445 0.441929 O\n0.335186 0.128979 0.188530 O\n0.327117 0.114238 0.488441 O\n0.488604 0.100556 0.683509 O\n0.011396 0.100556 0.183509 O\n",
"nsites": 64,
"nelements": 5,
"elements": [
"Eu",
"H",
"S",
"N",
"O"
],
"chemical_system": "Eu-H-N-O-S",
"density": 3.4043344330999585,
"density_atomic": 0.09058189548880125,
"volume": 706.5429538059557,
"volume_molar": 6.648283001258817,
"formula_full": "Eu4 H16 S8 N4 O32",
"formula_reduced": "EuH4S2NO8",
"formula_anonymous": "ABC2D4E8",
"energy": -434.60078794,
"energy_per_atom": -6.7906373115625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -411.17278794,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 23.9999998,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:56.901000Z",
"spacegroup": 14
},
{
"id": "mp-560607",
"created_at": "2022-09-04T14:42:44.395116Z",
"structure_string": "Sb4 O6\n1.0\n3.354318 0.000000 0.000000\n0.000000 4.029189 0.000000\n0.000000 0.000000 13.272958\nSb O\n4 6\ndirect\n0.500000 0.353443 0.366239 Sb\n0.000000 0.646557 0.133761 Sb\n0.000000 0.646557 0.866239 Sb\n0.500000 0.353443 0.633761 Sb\n0.000000 0.621102 0.677803 O\n0.500000 0.378898 0.822197 O\n0.000000 0.409592 0.000000 O\n0.500000 0.590408 0.500000 O\n0.500000 0.378898 0.177803 O\n0.000000 0.621102 0.322197 O\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Sb",
"O"
],
"chemical_system": "O-Sb",
"density": 5.3970342527436195,
"density_atomic": 0.055745576035725025,
"volume": 179.38643227206794,
"volume_molar": 10.802903455765996,
"formula_full": "Sb4 O6",
"formula_reduced": "Sb2O3",
"formula_anonymous": "A2B3",
"energy": -62.01975552,
"energy_per_atom": -6.2019755519999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.89775552,
"band_gap": 1.4788999999999994,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.488000Z",
"spacegroup": 59
},
{
"id": "mp-4013",
"created_at": "2022-09-04T14:42:44.397748Z",
"structure_string": "Nd1 Si2 Ru2\n1.0\n-2.112279 2.112279 4.916098\n2.112279 -2.112279 4.916098\n2.112279 2.112279 -4.916098\nNd Si Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.635667 0.635667 0.000000 Si\n0.364333 0.364333 0.000000 Si\n0.250000 0.750000 0.500000 Ru\n0.750000 0.250000 0.500000 Ru\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"Si",
"Ru"
],
"chemical_system": "Nd-Ru-Si",
"density": 7.618843964250358,
"density_atomic": 0.05698845965257719,
"volume": 87.73706168725838,
"volume_molar": 10.567298706989462,
"formula_full": "Nd1 Si2 Ru2",
"formula_reduced": "Nd(SiRu)2",
"formula_anonymous": "AB2C2",
"energy": -38.46139214,
"energy_per_atom": -7.692278428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.60339214,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021715,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:56.898000Z",
"spacegroup": 139
}
]
}