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=formation_energy&page=12160",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy&page=12158",
"results": [
{
"id": "mp-23533",
"created_at": "2022-09-04T14:47:23.979903Z",
"structure_string": "K2 Os1 Cl6\n1.0\n0.000000 4.989060 4.989060\n4.989060 0.000000 4.989060\n4.989060 4.989060 0.000000\nK Os Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Os\n0.764331 0.764331 0.235669 Cl\n0.235669 0.764331 0.235669 Cl\n0.235669 0.764331 0.764331 Cl\n0.235669 0.235669 0.764331 Cl\n0.764331 0.235669 0.235669 Cl\n0.764331 0.235669 0.764331 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"K",
"Os",
"Cl"
],
"chemical_system": "Cl-K-Os",
"density": 3.2169072313728195,
"density_atomic": 0.03623734184961321,
"volume": 248.3625878893229,
"volume_molar": 16.618605153193045,
"formula_full": "K2 Os1 Cl6",
"formula_reduced": "K2OsCl6",
"formula_anonymous": "AB2C6",
"energy": -38.56830556,
"energy_per_atom": -4.285367284444444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.88430556,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9993344,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:06.266000Z",
"spacegroup": 225
},
{
"id": "mp-1034502",
"created_at": "2022-09-04T14:47:23.982354Z",
"structure_string": "Sr1 Mg14 C1 O16\n1.0\n8.640397 0.000000 0.000000\n0.000000 8.640397 -0.000000\n0.000000 0.000000 4.377955\nSr Mg C O\n1 14 1 16\ndirect\n-0.000000 -0.000000 0.000000 Sr\n-0.000000 0.500000 0.000000 Mg\n0.500000 -0.000000 0.000000 Mg\n-0.000000 0.260005 0.500000 Mg\n-0.000000 0.739995 0.500000 Mg\n0.500000 0.254479 0.500000 Mg\n0.500000 0.745521 0.500000 Mg\n0.260005 -0.000000 0.500000 Mg\n0.254479 0.500000 0.500000 Mg\n0.739995 -0.000000 0.500000 Mg\n0.745521 0.500000 0.500000 Mg\n0.258219 0.258219 0.000000 Mg\n0.258219 0.741781 0.000000 Mg\n0.741781 0.258219 -0.000000 Mg\n0.741781 0.741781 0.000000 Mg\n0.500000 0.500000 0.000000 C\n0.271923 -0.000000 0.000000 O\n0.253278 0.500000 -0.000000 O\n0.728077 -0.000000 0.000000 O\n0.746722 0.500000 0.000000 O\n0.251172 0.251172 0.500000 O\n0.251172 0.748828 0.500000 O\n0.748828 0.251172 0.500000 O\n0.748828 0.748828 0.500000 O\n-0.000000 -0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.271923 0.000000 O\n-0.000000 0.728077 0.000000 O\n0.500000 0.253278 0.000000 O\n0.500000 0.746722 0.000000 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Sr",
"Mg",
"C",
"O"
],
"chemical_system": "C-Mg-O-Sr",
"density": 3.5355069190872093,
"density_atomic": 0.09790644694633367,
"volume": 326.8426237297779,
"volume_molar": 6.1509133952138715,
"formula_full": "Sr1 Mg14 C1 O16",
"formula_reduced": "SrMg14CO16",
"formula_anonymous": "ABC14D16",
"energy": -197.15073697,
"energy_per_atom": -6.1609605303125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -186.15873697,
"band_gap": 3.7394,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:04.729000Z",
"spacegroup": 123
},
{
"id": "mp-1074093",
"created_at": "2022-09-04T14:47:23.987966Z",
"structure_string": "Mg18 Si10\n1.0\n7.244942 0.000000 0.000000\n3.493787 6.427409 0.000000\n1.897274 3.050760 11.816630\nMg Si\n18 10\ndirect\n0.212981 0.838958 0.354793 Mg\n0.876920 0.126658 0.536732 Mg\n0.013215 0.501047 0.356454 Mg\n0.391189 0.379036 0.532960 Mg\n0.664669 0.068070 0.357531 Mg\n0.616495 0.661862 0.506856 Mg\n0.394067 0.204450 0.823584 Mg\n0.231042 0.978503 0.036495 Mg\n0.941753 0.462745 0.871978 Mg\n0.025013 0.701808 0.017640 Mg\n0.450598 0.593251 0.903202 Mg\n0.744570 0.148187 0.982467 Mg\n0.038952 0.325614 0.650702 Mg\n0.613274 0.839815 0.186521 Mg\n0.211252 0.714748 0.683443 Mg\n0.902791 0.326764 0.157262 Mg\n0.580063 0.863014 0.687654 Mg\n0.390248 0.509930 0.180524 Mg\n0.136189 0.982479 0.830703 Si\n0.292169 0.071681 0.497182 Si\n0.960479 0.726241 0.521765 Si\n0.962158 0.889989 0.190495 Si\n0.821068 0.971374 0.792110 Si\n0.293835 0.176865 0.261270 Si\n0.309095 0.301654 0.035659 Si\n0.648021 0.772288 0.971812 Si\n0.637006 0.465320 0.348422 Si\n0.640503 0.397877 0.724106 Si\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.1677923726094757,
"density_atomic": 0.05088544121598424,
"volume": 550.2556198963365,
"volume_molar": 11.834702846417125,
"formula_full": "Mg18 Si10",
"formula_reduced": "Mg9Si5",
"formula_anonymous": "A5B9",
"energy": -82.19704580000001,
"energy_per_atom": -2.935608778571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.9070458,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001625,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:02.222000Z",
"spacegroup": 1
},
{
"id": "mp-1187799",
"created_at": "2022-09-04T14:47:23.990493Z",
"structure_string": "Yb1 Zn1 Pd2\n1.0\n0.000000 3.254813 3.254813\n3.254813 0.000000 3.254813\n3.254813 3.254813 0.000000\nYb Zn Pd\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Yb\n0.749999 0.749999 0.749999 Zn\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Zn",
"Pd"
],
"chemical_system": "Pd-Yb-Zn",
"density": 10.866651116569582,
"density_atomic": 0.0580031887649892,
"volume": 68.96172581488149,
"volume_molar": 10.38243049774355,
"formula_full": "Yb1 Zn1 Pd2",
"formula_reduced": "YbZnPd2",
"formula_anonymous": "ABC2",
"energy": -15.97758393,
"energy_per_atom": -3.9943959825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.97758393,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.03e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:08.892000Z",
"spacegroup": 225
},
{
"id": "mp-1197267",
"created_at": "2022-09-04T14:47:24.004676Z",
"structure_string": "Dy6 Ge26 Ru8\n1.0\n9.102695 0.000000 0.000000\n0.000000 9.102695 0.000000\n0.000000 0.000000 9.102695\nDy Ge Ru\n6 26 8\ndirect\n0.000000 0.500000 0.750000 Dy\n0.500000 0.250000 0.000000 Dy\n0.750000 0.000000 0.500000 Dy\n0.000000 0.500000 0.250000 Dy\n0.500000 0.750000 0.000000 Dy\n0.250000 0.000000 0.500000 Dy\n0.500000 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.806026 0.350815 0.500000 Ge\n0.649185 0.500000 0.806026 Ge\n0.500000 0.193974 0.649185 Ge\n0.193974 0.649185 0.500000 Ge\n0.350815 0.500000 0.193974 Ge\n0.500000 0.806026 0.350815 Ge\n0.806026 0.649185 0.500000 Ge\n0.649185 0.500000 0.193974 Ge\n0.193974 0.350815 0.500000 Ge\n0.350815 0.500000 0.806026 Ge\n0.500000 0.806026 0.649185 Ge\n0.500000 0.193974 0.350815 Ge\n0.306026 0.000000 0.850815 Ge\n0.149185 0.306026 0.000000 Ge\n0.000000 0.149185 0.693974 Ge\n0.693974 0.000000 0.149185 Ge\n0.850815 0.693974 0.000000 Ge\n0.000000 0.850815 0.306026 Ge\n0.306026 0.000000 0.149185 Ge\n0.149185 0.693974 0.000000 Ge\n0.693974 0.000000 0.850815 Ge\n0.850815 0.306026 0.000000 Ge\n0.000000 0.149185 0.306026 Ge\n0.000000 0.850815 0.693974 Ge\n0.750000 0.250000 0.750000 Ru\n0.250000 0.750000 0.250000 Ru\n0.750000 0.750000 0.250000 Ru\n0.250000 0.250000 0.750000 Ru\n0.250000 0.750000 0.750000 Ru\n0.750000 0.250000 0.250000 Ru\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Dy",
"Ge",
"Ru"
],
"chemical_system": "Dy-Ge-Ru",
"density": 8.084728683713513,
"density_atomic": 0.05303346675731997,
"volume": 754.2407171501565,
"volume_molar": 11.355359414003969,
"formula_full": "Dy6 Ge26 Ru8",
"formula_reduced": "Dy3Ge13Ru4",
"formula_anonymous": "A3B4C13",
"energy": -239.64727485,
"energy_per_atom": -5.99118187125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -239.64727485,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.023843,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:07.715000Z",
"spacegroup": 223
},
{
"id": "mp-1045870",
"created_at": "2022-09-04T14:47:24.017746Z",
"structure_string": "Ba4 Mg2 Cr4 Cu2 F28\n1.0\n2.622014 6.978279 0.000000\n-2.622014 6.978279 0.000000\n0.000000 0.469082 14.600234\nBa Mg Cr Cu F\n4 2 4 2 28\ndirect\n0.738397 0.890461 0.123434 Ba\n0.890461 0.738397 0.623434 Ba\n0.261603 0.109539 0.876566 Ba\n0.109539 0.261603 0.376566 Ba\n0.430488 0.569512 0.250000 Mg\n0.569512 0.430488 0.750000 Mg\n0.860657 0.903493 0.373225 Cr\n0.139343 0.096507 0.626775 Cr\n0.903493 0.860657 0.873225 Cr\n0.096507 0.139343 0.126775 Cr\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.907326 0.110858 0.839361 F\n0.592148 0.133016 0.955106 F\n0.407852 0.866984 0.044894 F\n0.151560 0.352023 0.096677 F\n0.511993 0.393182 0.123183 F\n0.606818 0.488007 0.376817 F\n0.133016 0.592148 0.455106 F\n0.889142 0.092674 0.660639 F\n0.039654 0.640124 0.275230 F\n0.848440 0.647977 0.903323 F\n0.578949 0.201133 0.288885 F\n0.647977 0.848440 0.403323 F\n0.201133 0.578949 0.788885 F\n0.421051 0.798867 0.711115 F\n0.393182 0.511993 0.623183 F\n0.960346 0.359876 0.724770 F\n0.286752 0.880580 0.516358 F\n0.092674 0.889142 0.160639 F\n0.713248 0.119420 0.483642 F\n0.880580 0.286752 0.016358 F\n0.866984 0.407852 0.544894 F\n0.798867 0.421051 0.211115 F\n0.640124 0.039654 0.775230 F\n0.119420 0.713248 0.983642 F\n0.488007 0.606818 0.876817 F\n0.110858 0.907326 0.339361 F\n0.359876 0.960346 0.224770 F\n0.352023 0.151560 0.596677 F\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Mg",
"Cr",
"Cu",
"F"
],
"chemical_system": "Ba-Cr-Cu-F-Mg",
"density": 4.553010587706356,
"density_atomic": 0.07486638167867735,
"volume": 534.2852038940247,
"volume_molar": 8.043851759587792,
"formula_full": "Ba4 Mg2 Cr4 Cu2 F28",
"formula_reduced": "Ba2MgCr2CuF14",
"formula_anonymous": "ABC2D2E14",
"energy": -244.00218784,
"energy_per_atom": -6.100054696,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -223.07018784,
"band_gap": 0.955,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0007124,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:02.739000Z",
"spacegroup": 15
},
{
"id": "mp-1147666",
"created_at": "2022-09-04T14:47:24.026810Z",
"structure_string": "K8 Zn12 S16\n1.0\n6.216585 0.000000 0.000000\n0.000000 10.040479 0.000000\n0.000000 0.000000 13.760920\nK Zn S\n8 12 16\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.500000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.022510 0.250000 0.535029 K\n0.477490 0.250000 0.035029 K\n0.977490 0.750000 0.464971 K\n0.522510 0.750000 0.964971 K\n0.764441 0.250000 0.792928 Zn\n0.735559 0.250000 0.292928 Zn\n0.235559 0.750000 0.207072 Zn\n0.264441 0.750000 0.707072 Zn\n0.836385 0.901427 0.754448 Zn\n0.663615 0.598573 0.254448 Zn\n0.163615 0.401427 0.245552 Zn\n0.336385 0.098573 0.745552 Zn\n0.163615 0.098573 0.245552 Zn\n0.336385 0.401427 0.745552 Zn\n0.836385 0.598573 0.754448 Zn\n0.663615 0.901427 0.254448 Zn\n0.125377 0.250000 0.839444 S\n0.374623 0.250000 0.339444 S\n0.874623 0.750000 0.160556 S\n0.625377 0.750000 0.660556 S\n0.555360 0.250000 0.644776 S\n0.944640 0.250000 0.144776 S\n0.444640 0.750000 0.355224 S\n0.055360 0.750000 0.855224 S\n0.120567 0.960974 0.648420 S\n0.379433 0.539026 0.148420 S\n0.879433 0.460974 0.351580 S\n0.620567 0.039026 0.851580 S\n0.879433 0.039026 0.351580 S\n0.620567 0.460974 0.851580 S\n0.120567 0.539026 0.648420 S\n0.379433 0.960974 0.148420 S\n",
"nsites": 36,
"nelements": 3,
"elements": [
"K",
"Zn",
"S"
],
"chemical_system": "K-S-Zn",
"density": 3.1140046229487104,
"density_atomic": 0.041912997588805796,
"volume": 858.9221022362511,
"volume_molar": 14.36819389317171,
"formula_full": "K8 Zn12 S16",
"formula_reduced": "K2Zn3S4",
"formula_anonymous": "A2B3C4",
"energy": -132.48393176,
"energy_per_atom": -3.6801092155555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -124.43593176,
"band_gap": 2.4299,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002912,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:08.446000Z",
"spacegroup": 62
},
{
"id": "mp-12722",
"created_at": "2022-09-04T14:47:24.042389Z",
"structure_string": "Tb4 Al4 Pd4\n1.0\n4.464560 0.000000 0.000000\n0.000000 6.954270 0.000000\n0.000000 0.000000 7.803501\nTb Al Pd\n4 4 4\ndirect\n0.250000 0.532568 0.819399 Tb\n0.750000 0.467432 0.180601 Tb\n0.250000 0.032568 0.680601 Tb\n0.750000 0.967432 0.319399 Tb\n0.250000 0.645014 0.436687 Al\n0.750000 0.354986 0.563313 Al\n0.250000 0.145014 0.063313 Al\n0.750000 0.854986 0.936687 Al\n0.750000 0.726346 0.616656 Pd\n0.250000 0.273654 0.383344 Pd\n0.750000 0.226346 0.883344 Pd\n0.250000 0.773654 0.116656 Pd\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tb",
"Al",
"Pd"
],
"chemical_system": "Al-Pd-Tb",
"density": 8.014162616146963,
"density_atomic": 0.04952922626698664,
"volume": 242.28119242796484,
"volume_molar": 12.158762035848754,
"formula_full": "Tb4 Al4 Pd4",
"formula_reduced": "TbAlPd",
"formula_anonymous": "ABC",
"energy": -64.74751471,
"energy_per_atom": -5.395626225833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.74751471,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.01e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:07.491000Z",
"spacegroup": 62
},
{
"id": "mp-697283",
"created_at": "2022-09-04T14:47:24.044115Z",
"structure_string": "H32 W4 S16 N8\n1.0\n7.125847 0.000000 0.000000\n0.000000 9.782991 0.000000\n0.000000 0.000000 12.468748\nH W S N\n32 4 16 8\ndirect\n0.750000 0.991348 0.238679 H\n0.750000 0.491348 0.261321 H\n0.250000 0.008652 0.761321 H\n0.250000 0.508652 0.738679 H\n0.750000 0.030823 0.107884 H\n0.750000 0.530823 0.392116 H\n0.250000 0.969177 0.892116 H\n0.250000 0.469177 0.607884 H\n0.631515 0.890352 0.152456 H\n0.868485 0.390352 0.347544 H\n0.131515 0.109648 0.847544 H\n0.368485 0.609648 0.652456 H\n0.368485 0.109648 0.847544 H\n0.131515 0.609648 0.652456 H\n0.868485 0.890352 0.152456 H\n0.631515 0.390352 0.347544 H\n0.750000 0.744983 0.833985 H\n0.750000 0.244983 0.666015 H\n0.250000 0.255017 0.166015 H\n0.250000 0.755017 0.333985 H\n0.750000 0.573260 0.846746 H\n0.750000 0.073260 0.653254 H\n0.250000 0.426740 0.153254 H\n0.250000 0.926740 0.346746 H\n0.630786 0.670417 0.935472 H\n0.869214 0.170417 0.564528 H\n0.130786 0.329583 0.064528 H\n0.369214 0.829583 0.435472 H\n0.369214 0.329583 0.064528 H\n0.130786 0.829583 0.435472 H\n0.869214 0.670417 0.935472 H\n0.630786 0.170417 0.564528 H\n0.750000 0.252164 0.928447 W\n0.750000 0.752164 0.571553 W\n0.250000 0.747836 0.071553 W\n0.250000 0.247836 0.428447 W\n0.750000 0.031645 0.889829 S\n0.750000 0.531645 0.610171 S\n0.250000 0.968355 0.110171 S\n0.250000 0.468355 0.389829 S\n0.750000 0.281838 0.103759 S\n0.750000 0.781838 0.396241 S\n0.250000 0.718162 0.896241 S\n0.250000 0.218162 0.603759 S\n0.498586 0.349845 0.859507 S\n0.001414 0.849845 0.640493 S\n0.998586 0.650155 0.140493 S\n0.501414 0.150155 0.359507 S\n0.501414 0.650155 0.140493 S\n0.998586 0.150155 0.359507 S\n0.001414 0.349845 0.859507 S\n0.498586 0.849845 0.640493 S\n0.750000 0.950774 0.162381 N\n0.750000 0.450774 0.337619 N\n0.250000 0.049226 0.837619 N\n0.250000 0.549226 0.662381 N\n0.750000 0.665108 0.888057 N\n0.750000 0.165108 0.611943 N\n0.250000 0.334892 0.111943 N\n0.250000 0.834892 0.388057 N\n",
"nsites": 60,
"nelements": 4,
"elements": [
"H",
"W",
"S",
"N"
],
"chemical_system": "H-N-S-W",
"density": 2.660590726040341,
"density_atomic": 0.0690271997171835,
"volume": 869.2225708971316,
"volume_molar": 8.724301122852676,
"formula_full": "H32 W4 S16 N8",
"formula_reduced": "H8W(S2N)2",
"formula_anonymous": "AB2C4D8",
"energy": -329.00513508999995,
"energy_per_atom": -5.483418918166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -318.06913509,
"band_gap": 1.9874,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:04.167000Z",
"spacegroup": 62
},
{
"id": "mp-30624",
"created_at": "2022-09-04T14:47:24.051195Z",
"structure_string": "Dy22 Sn20\n1.0\n-5.829130 5.829130 8.539466\n5.829130 -5.829130 8.539466\n5.829130 5.829130 -8.539466\nDy Sn\n22 20\ndirect\n0.811438 0.063455 0.252017 Dy\n0.811438 0.559420 0.747983 Dy\n0.063455 0.811438 0.252017 Dy\n0.559420 0.811438 0.747983 Dy\n0.188562 0.936545 0.747983 Dy\n0.188562 0.440580 0.252017 Dy\n0.936545 0.188562 0.747983 Dy\n0.440580 0.188562 0.252017 Dy\n0.174511 0.174511 0.349022 Dy\n0.825489 0.825489 0.650978 Dy\n0.174511 0.825489 0.000000 Dy\n0.825489 0.174511 0.000000 Dy\n0.664161 0.664161 0.000000 Dy\n0.335839 0.335839 0.000000 Dy\n0.602060 0.931714 0.329653 Dy\n0.602060 0.272407 0.670347 Dy\n0.931714 0.602060 0.329653 Dy\n0.272407 0.602060 0.670347 Dy\n0.397940 0.068286 0.670347 Dy\n0.397940 0.727593 0.329653 Dy\n0.068286 0.397940 0.670347 Dy\n0.727593 0.397940 0.329653 Dy\n0.355974 0.000000 0.355974 Sn\n0.644026 0.000000 0.644026 Sn\n0.000000 0.644026 0.644026 Sn\n0.000000 0.355974 0.355974 Sn\n0.888108 0.888108 0.000000 Sn\n0.111892 0.111892 0.000000 Sn\n0.370471 0.370471 0.740942 Sn\n0.629529 0.629529 0.259058 Sn\n0.370471 0.629529 0.000000 Sn\n0.629529 0.370471 0.000000 Sn\n0.750000 0.250000 0.500000 Sn\n0.250000 0.750000 0.500000 Sn\n0.882177 0.882177 0.412737 Sn\n0.469441 0.469441 0.587263 Sn\n0.882177 0.469441 0.000000 Sn\n0.469441 0.882177 0.000000 Sn\n0.117823 0.117823 0.587263 Sn\n0.530559 0.530559 0.412737 Sn\n0.117823 0.530559 0.000000 Sn\n0.530559 0.117823 0.000000 Sn\n",
"nsites": 42,
"nelements": 2,
"elements": [
"Dy",
"Sn"
],
"chemical_system": "Dy-Sn",
"density": 8.511566169761647,
"density_atomic": 0.036186876930730805,
"volume": 1160.6417453596982,
"volume_molar": 16.641780863067094,
"formula_full": "Dy22 Sn20",
"formula_reduced": "Dy11Sn10",
"formula_anonymous": "A10B11",
"energy": -212.39167584,
"energy_per_atom": -5.056944662857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -212.39167584,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.019227,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:09.430000Z",
"spacegroup": 139
},
{
"id": "mp-1047071",
"created_at": "2022-09-04T14:47:24.009918Z",
"structure_string": "Sr4 Y2 Mn4 Ga2 O14\n1.0\n-2.845634 2.913522 11.226975\n2.845634 -2.913522 11.226975\n2.845634 2.913522 -11.226975\nSr Y Mn Ga O\n4 2 4 2 14\ndirect\n0.375680 0.836202 0.514161 Sr\n0.624320 0.138482 0.460522 Sr\n0.822040 0.336202 0.460522 Sr\n0.177960 0.638482 0.514161 Sr\n0.000000 0.499279 0.499279 Y\n0.500000 0.999279 0.499279 Y\n0.583571 0.576707 0.998247 Mn\n0.921540 0.914676 0.998247 Mn\n0.078460 0.076707 0.993136 Mn\n0.416429 0.414676 0.993136 Mn\n0.826754 0.708428 0.035181 Ga\n0.173246 0.208428 0.881674 Ga\n0.693550 0.678797 0.496907 O\n0.884298 0.372145 0.756443 O\n0.681890 0.178797 0.985247 O\n0.234405 0.202412 0.082065 O\n0.812784 0.815111 0.495847 O\n0.819264 0.315111 0.002327 O\n0.115702 0.872145 0.487847 O\n0.318110 0.303358 0.496907 O\n0.306450 0.803358 0.985247 O\n0.620347 0.702412 0.968007 O\n0.765595 0.847660 0.968007 O\n0.379653 0.347660 0.082065 O\n0.187216 0.683063 0.002327 O\n0.180736 0.183063 0.495847 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Sr",
"Y",
"Mn",
"Ga",
"O"
],
"chemical_system": "Ga-Mn-O-Sr-Y",
"density": 4.957140613880407,
"density_atomic": 0.06983180344216289,
"volume": 372.3231925627425,
"volume_molar": 8.623779514713158,
"formula_full": "Sr4 Y2 Mn4 Ga2 O14",
"formula_reduced": "Sr2YMn2GaO7",
"formula_anonymous": "ABC2D2E7",
"energy": -202.42058204,
"energy_per_atom": -7.785407001538461,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -186.13058204,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.9269625,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.519000Z",
"spacegroup": 46
},
{
"id": "mp-1184832",
"created_at": "2022-09-04T14:47:24.011200Z",
"structure_string": "Ho1 Sn1 Au2\n1.0\n0.000000 3.517538 3.517538\n3.517538 0.000000 3.517538\n3.517538 3.517538 0.000000\nHo Sn Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ho\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Au\n0.750000 0.750000 0.750000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Sn",
"Au"
],
"chemical_system": "Au-Ho-Sn",
"density": 12.925849463515993,
"density_atomic": 0.04595297175218695,
"volume": 87.04551299905073,
"volume_molar": 13.105008295167332,
"formula_full": "Ho1 Sn1 Au2",
"formula_reduced": "HoSnAu2",
"formula_anonymous": "ABC2",
"energy": -17.89221056,
"energy_per_atom": -4.47305264,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.89221056,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026313,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:07.738000Z",
"spacegroup": 225
}
]
}