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=-formula_reduced&page=1769",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_reduced&page=1767",
"results": [
{
"id": "mp-676110",
"created_at": "2022-09-04T14:45:06.131447Z",
"structure_string": "Tb14 Pb3 Se24\n1.0\n4.398459 6.255005 0.000000\n-4.398459 6.255005 0.000000\n0.000000 6.241674 18.761988\nTb Pb Se\n14 3 24\ndirect\n0.834964 0.830920 0.712508 Tb\n0.541671 0.039904 0.540103 Tb\n0.502421 0.505047 0.371986 Tb\n0.494953 0.497579 0.628014 Tb\n0.209188 0.709836 0.198946 Tb\n0.180828 0.171065 0.038948 Tb\n0.960096 0.458329 0.459897 Tb\n0.169080 0.165036 0.287492 Tb\n0.870566 0.382594 0.877744 Tb\n0.794767 0.544560 0.163159 Tb\n0.617406 0.129434 0.122256 Tb\n0.828935 0.819172 0.961052 Tb\n0.455440 0.205233 0.836841 Tb\n0.290164 0.790812 0.801054 Tb\n0.124732 0.875268 0.500000 Pb\n0.041037 0.289679 0.667720 Pb\n0.710321 0.958963 0.332280 Pb\n0.818441 0.194051 0.582805 Se\n0.817924 0.692425 0.587892 Se\n0.496345 0.855311 0.246560 Se\n0.498453 0.371257 0.245679 Se\n0.577383 0.703528 0.467113 Se\n0.307575 0.182076 0.412108 Se\n0.247349 0.875378 0.635430 Se\n0.163909 0.516782 0.917773 Se\n0.460628 0.090063 0.706358 Se\n0.124622 0.752651 0.364570 Se\n0.958992 0.097315 0.198087 Se\n0.296472 0.422617 0.532887 Se\n0.159699 0.037020 0.915755 Se\n0.232538 0.381241 0.133907 Se\n0.962980 0.840301 0.084245 Se\n0.909937 0.539372 0.293642 Se\n0.798614 0.417474 0.037074 Se\n0.805949 0.181559 0.417195 Se\n0.902685 0.041008 0.801913 Se\n0.628743 0.501547 0.754321 Se\n0.582526 0.201386 0.962926 Se\n0.483218 0.836091 0.082227 Se\n0.618759 0.767462 0.866093 Se\n0.144689 0.503655 0.753440 Se\n",
"nsites": 41,
"nelements": 3,
"elements": [
"Tb",
"Pb",
"Se"
],
"chemical_system": "Pb-Se-Tb",
"density": 7.626696878634783,
"density_atomic": 0.039714289558296076,
"volume": 1032.3740007942645,
"volume_molar": 15.163662316457104,
"formula_full": "Tb14 Pb3 Se24",
"formula_reduced": "Tb14(PbSe8)3",
"formula_anonymous": "A3B14C24",
"energy": -238.36417041000004,
"energy_per_atom": -5.81376025390244,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -227.03617041,
"band_gap": 1.7091999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0097467,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.806000Z",
"spacegroup": 5
},
{
"id": "mp-1217877",
"created_at": "2022-09-04T14:46:31.037405Z",
"structure_string": "Tb14 P24 Ir33\n1.0\n1.974591 11.874409 0.000000\n-1.974591 11.874409 0.000000\n0.000000 9.979492 24.896522\nTb P Ir\n14 24 33\ndirect\n0.580958 0.580958 0.372678 Tb\n0.582884 0.582884 0.872605 Tb\n0.417007 0.417007 0.127454 Tb\n0.417330 0.417330 0.627339 Tb\n0.770177 0.770177 0.346228 Tb\n0.766190 0.766190 0.844163 Tb\n0.234226 0.234226 0.155752 Tb\n0.234086 0.234086 0.655498 Tb\n0.498649 0.498649 0.251512 Tb\n0.499962 0.499962 0.749961 Tb\n0.631677 0.631677 0.001602 Tb\n0.633014 0.633014 0.501090 Tb\n0.369186 0.369186 0.496604 Tb\n0.368543 0.368543 0.998298 Tb\n0.633151 0.633151 0.211125 P\n0.633958 0.633958 0.710607 P\n0.366614 0.366614 0.289759 P\n0.366125 0.366125 0.789351 P\n0.114843 0.114843 0.084455 P\n0.115270 0.115270 0.584216 P\n0.882303 0.882303 0.413159 P\n0.885088 0.885088 0.915742 P\n0.985615 0.985615 0.165949 P\n0.985259 0.985259 0.665406 P\n0.011524 0.011524 0.337333 P\n0.014823 0.014823 0.834527 P\n0.766082 0.766082 0.058234 P\n0.766680 0.766680 0.557170 P\n0.239288 0.239288 0.441715 P\n0.233777 0.233777 0.941979 P\n0.938075 0.938075 0.037760 P\n0.938496 0.938496 0.536560 P\n0.063869 0.063869 0.461891 P\n0.061660 0.061660 0.962582 P\n0.811164 0.811164 0.189501 P\n0.811928 0.811928 0.689000 P\n0.188130 0.188130 0.310424 P\n0.188069 0.188069 0.810957 P\n0.779533 0.779533 0.462037 Ir\n0.780815 0.780815 0.963869 Ir\n0.219115 0.219115 0.036235 Ir\n0.220727 0.220727 0.537133 Ir\n0.090884 0.090884 0.175681 Ir\n0.090995 0.090995 0.675386 Ir\n0.905410 0.905410 0.321752 Ir\n0.908670 0.908670 0.824779 Ir\n0.448930 0.448930 0.373620 Ir\n0.458795 0.458795 0.869460 Ir\n0.541057 0.541057 0.130765 Ir\n0.541185 0.541185 0.630463 Ir\n0.166057 0.166057 0.403115 Ir\n0.161647 0.161647 0.903934 Ir\n0.838025 0.838025 0.096448 Ir\n0.838568 0.838568 0.595780 Ir\n0.110631 0.110631 0.273477 Ir\n0.111977 0.111977 0.771824 Ir\n0.888155 0.888155 0.226533 Ir\n0.888063 0.888063 0.728009 Ir\n0.705463 0.705463 0.257059 Ir\n0.704555 0.704555 0.757494 Ir\n0.296461 0.296461 0.243629 Ir\n0.295236 0.295236 0.742877 Ir\n0.500239 0.500239 0.999838 Ir\n0.501529 0.501529 0.499069 Ir\n0.974223 0.974223 0.436586 Ir\n0.972882 0.972882 0.937882 Ir\n0.027167 0.027167 0.062094 Ir\n0.027093 0.027093 0.562054 Ir\n0.334377 0.334377 0.887119 Ir\n0.665369 0.665369 0.113197 Ir\n0.665609 0.665609 0.612992 Ir\n",
"nsites": 71,
"nelements": 3,
"elements": [
"Tb",
"P",
"Ir"
],
"chemical_system": "Ir-P-Tb",
"density": 13.243728445233678,
"density_atomic": 0.060813572252814516,
"volume": 1167.5025388220645,
"volume_molar": 9.90262623442794,
"formula_full": "Tb14 P24 Ir33",
"formula_reduced": "Tb14(P8Ir11)3",
"formula_anonymous": "A14B24C33",
"energy": -556.33573497,
"energy_per_atom": -7.835714577042253,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -556.33573497,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1169872,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.228000Z",
"spacegroup": 8
},
{
"id": "mp-1217878",
"created_at": "2022-09-04T14:47:55.610476Z",
"structure_string": "Tb14 Au51\n1.0\n6.416160 -11.113115 0.000000\n6.416160 11.113115 0.000000\n0.000000 0.000000 9.266478\nTb Au\n14 51\ndirect\n0.461466 0.138754 0.500000 Tb\n0.861246 0.322712 0.500000 Tb\n0.677288 0.538534 0.500000 Tb\n0.536693 0.859711 0.500000 Tb\n0.140289 0.676982 0.500000 Tb\n0.323018 0.463307 0.500000 Tb\n0.114105 0.385300 0.000000 Tb\n0.614700 0.728805 0.000000 Tb\n0.271195 0.885895 0.000000 Tb\n0.882957 0.598928 0.000000 Tb\n0.401072 0.284029 0.000000 Tb\n0.715971 0.117043 0.000000 Tb\n0.000000 0.000000 0.299206 Tb\n0.000000 0.000000 0.700794 Tb\n0.493381 0.116158 0.152364 Au\n0.883842 0.377222 0.152364 Au\n0.622778 0.506619 0.152364 Au\n0.502225 0.883009 0.150738 Au\n0.116991 0.619217 0.150738 Au\n0.380783 0.497775 0.150738 Au\n0.502225 0.883009 0.849262 Au\n0.116991 0.619217 0.849262 Au\n0.380783 0.497775 0.849262 Au\n0.493381 0.116158 0.847636 Au\n0.883842 0.377222 0.847636 Au\n0.622778 0.506619 0.847636 Au\n0.666667 0.333333 0.000000 Au\n0.333333 0.666667 0.000000 Au\n0.103813 0.442332 0.338215 Au\n0.557668 0.661481 0.338215 Au\n0.338519 0.896187 0.338215 Au\n0.895695 0.555704 0.338524 Au\n0.444296 0.339991 0.338524 Au\n0.660009 0.104305 0.338524 Au\n0.895695 0.555704 0.661476 Au\n0.444296 0.339991 0.661476 Au\n0.660009 0.104305 0.661476 Au\n0.103813 0.442332 0.661785 Au\n0.557668 0.661481 0.661785 Au\n0.338519 0.896187 0.661785 Au\n0.193642 0.272343 0.234910 Au\n0.727657 0.921298 0.234910 Au\n0.078702 0.806358 0.234910 Au\n0.807631 0.735390 0.226405 Au\n0.264610 0.072240 0.226405 Au\n0.927760 0.192369 0.226405 Au\n0.807631 0.735390 0.773595 Au\n0.264610 0.072240 0.773595 Au\n0.927760 0.192369 0.773595 Au\n0.193642 0.272343 0.765090 Au\n0.727657 0.921298 0.765090 Au\n0.078702 0.806358 0.765090 Au\n0.666667 0.333333 0.316803 Au\n0.333333 0.666667 0.317303 Au\n0.333333 0.666667 0.682697 Au\n0.666667 0.333333 0.683197 Au\n0.059140 0.235700 0.500000 Au\n0.764300 0.823440 0.500000 Au\n0.176560 0.940860 0.500000 Au\n0.938986 0.761206 0.500000 Au\n0.238794 0.177781 0.500000 Au\n0.822219 0.061014 0.500000 Au\n0.138772 0.113350 0.000000 Au\n0.886650 0.025422 0.000000 Au\n0.974578 0.861228 0.000000 Au\n",
"nsites": 65,
"nelements": 2,
"elements": [
"Tb",
"Au"
],
"chemical_system": "Au-Tb",
"density": 15.41866658629398,
"density_atomic": 0.049187830527894626,
"volume": 1321.4650717953139,
"volume_molar": 12.243151802730594,
"formula_full": "Tb14 Au51",
"formula_reduced": "Tb14Au51",
"formula_anonymous": "A14B51",
"energy": -273.0940945,
"energy_per_atom": -4.201447607692307,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -273.0940945,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0819421,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.506000Z",
"spacegroup": 174
},
{
"id": "mp-1217874",
"created_at": "2022-09-04T14:39:30.325612Z",
"structure_string": "Tb14 Ag51\n1.0\n6.417715 -11.115808 0.000000\n6.417715 11.115808 0.000000\n0.000000 0.000000 9.432628\nTb Ag\n14 51\ndirect\n0.133342 0.661274 0.500000 Tb\n0.527932 0.866658 0.500000 Tb\n0.338726 0.472068 0.500000 Tb\n0.197957 0.005006 0.500000 Tb\n0.807049 0.802043 0.500000 Tb\n0.994994 0.192951 0.500000 Tb\n0.779903 0.060035 0.000000 Tb\n0.280132 0.220097 0.000000 Tb\n0.939965 0.719868 0.000000 Tb\n0.549389 0.614905 0.000000 Tb\n0.065516 0.450611 0.000000 Tb\n0.385095 0.934484 0.000000 Tb\n0.666667 0.333333 0.692482 Tb\n0.666667 0.333333 0.307518 Tb\n0.770657 0.998197 0.667170 Ag\n0.227539 0.229343 0.667170 Ag\n0.001803 0.772461 0.667170 Ag\n0.561924 0.668674 0.666800 Ag\n0.106750 0.438076 0.666800 Ag\n0.331326 0.893250 0.666800 Ag\n0.561924 0.668674 0.333200 Ag\n0.106750 0.438076 0.333200 Ag\n0.331326 0.893250 0.333200 Ag\n0.770657 0.998197 0.332830 Ag\n0.227539 0.229343 0.332830 Ag\n0.001803 0.772461 0.332830 Ag\n0.159453 0.710616 0.847674 Ag\n0.551164 0.840547 0.847674 Ag\n0.289384 0.448836 0.847674 Ag\n0.170664 0.953321 0.848520 Ag\n0.782657 0.829336 0.848520 Ag\n0.046679 0.217343 0.848520 Ag\n0.170664 0.953321 0.151480 Ag\n0.782657 0.829336 0.151480 Ag\n0.046679 0.217343 0.151480 Ag\n0.159453 0.710616 0.152326 Ag\n0.551164 0.840547 0.152326 Ag\n0.289384 0.448836 0.152326 Ag\n0.725130 0.154199 0.500000 Ag\n0.429069 0.274870 0.500000 Ag\n0.845801 0.570931 0.500000 Ag\n0.606402 0.511656 0.500000 Ag\n0.905254 0.393598 0.500000 Ag\n0.488344 0.094746 0.500000 Ag\n0.333333 0.666667 0.000000 Ag\n0.000000 0.000000 0.000000 Ag\n0.859142 0.255465 0.759081 Ag\n0.396323 0.140858 0.759081 Ag\n0.744535 0.603677 0.759081 Ag\n0.477747 0.407844 0.768969 Ag\n0.930097 0.522253 0.768969 Ag\n0.592156 0.069903 0.768969 Ag\n0.477747 0.407844 0.231031 Ag\n0.930097 0.522253 0.231031 Ag\n0.592156 0.069903 0.231031 Ag\n0.859142 0.255465 0.240919 Ag\n0.396323 0.140858 0.240919 Ag\n0.744535 0.603677 0.240919 Ag\n0.333333 0.666667 0.696970 Ag\n0.000000 0.000000 0.697653 Ag\n0.000000 0.000000 0.302347 Ag\n0.333333 0.666667 0.303030 Ag\n0.796840 0.341389 0.000000 Ag\n0.544549 0.203160 0.000000 Ag\n0.658611 0.455451 0.000000 Ag\n",
"nsites": 65,
"nelements": 2,
"elements": [
"Tb",
"Ag"
],
"chemical_system": "Ag-Tb",
"density": 9.533069024661904,
"density_atomic": 0.04829800477382323,
"volume": 1345.811287741414,
"volume_molar": 12.468715401808703,
"formula_full": "Tb14 Ag51",
"formula_reduced": "Tb14Ag51",
"formula_anonymous": "A14B51",
"energy": -225.39427886,
"energy_per_atom": -3.467604290153846,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -225.39427886,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.4026308,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.843000Z",
"spacegroup": 174
},
{
"id": "mp-1217871",
"created_at": "2022-09-04T14:45:21.115135Z",
"structure_string": "Tb12 Si5 S28\n1.0\n9.848672 0.000000 0.000000\n4.923317 10.262155 0.000000\n4.922371 3.871331 9.512562\nTb Si S\n12 5 28\ndirect\n0.231846 0.932088 0.700545 Tb\n0.218319 0.465158 0.186490 Tb\n0.650243 0.703341 0.425947 Tb\n0.634873 0.185632 0.950980 Tb\n0.131806 0.746955 0.469540 Tb\n0.131101 0.234057 0.001076 Tb\n0.780426 0.041997 0.303895 Tb\n0.773324 0.569663 0.798092 Tb\n0.367132 0.315606 0.545914 Tb\n0.345351 0.806651 0.065971 Tb\n0.861511 0.270949 0.502213 Tb\n0.871534 0.761441 0.019893 Tb\n0.334073 0.086794 0.251122 Si\n0.333301 0.582420 0.745327 Si\n0.666570 0.004383 0.662603 Si\n0.666751 0.505084 0.160790 Si\n0.000919 0.228775 0.771132 Si\n0.332746 0.901079 0.433678 S\n0.333444 0.399458 0.932117 S\n0.673398 0.313284 0.339492 S\n0.660197 0.826570 0.853510 S\n0.107829 0.236733 0.252453 S\n0.103667 0.725724 0.739898 S\n0.470277 0.208238 0.221624 S\n0.485947 0.693017 0.709533 S\n0.413761 0.045158 0.062990 S\n0.421136 0.544262 0.556724 S\n0.894956 0.007142 0.518760 S\n0.895344 0.507068 0.014965 S\n0.521002 0.036045 0.547958 S\n0.526098 0.535674 0.042902 S\n0.582126 0.193529 0.702226 S\n0.580089 0.692495 0.202119 S\n0.138855 0.225508 0.548134 S\n0.164786 0.736673 0.999619 S\n0.737716 0.916150 0.181433 S\n0.774048 0.383888 0.705001 S\n0.095147 0.949220 0.215753 S\n0.088859 0.409494 0.729850 S\n0.839216 0.742331 0.516413 S\n0.850943 0.236741 0.999187 S\n0.235821 0.075912 0.838220 S\n0.258505 0.563318 0.337996 S\n0.913662 0.043693 0.806660 S\n0.901346 0.533103 0.306757 S\n",
"nsites": 45,
"nelements": 3,
"elements": [
"Tb",
"Si",
"S"
],
"chemical_system": "S-Si-Tb",
"density": 5.087126225770706,
"density_atomic": 0.04680570266949631,
"volume": 961.4213105132358,
"volume_molar": 12.866254359054166,
"formula_full": "Tb12 Si5 S28",
"formula_reduced": "Tb12Si5S28",
"formula_anonymous": "A5B12C28",
"energy": -284.36656158,
"energy_per_atom": -6.319256924,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -270.28256158,
"band_gap": 1.7126,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0078449,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:07.850000Z",
"spacegroup": 1
},
{
"id": "mp-1204651",
"created_at": "2022-09-04T14:40:17.853261Z",
"structure_string": "Tb12 Re5 C15\n1.0\n5.386260 -9.329276 0.000000\n5.386260 9.329276 0.000000\n0.000000 0.000000 5.136661\nTb Re C\n12 5 15\ndirect\n0.544026 0.730048 0.000000 Tb\n0.269952 0.813978 0.000000 Tb\n0.186022 0.455974 0.000000 Tb\n0.455974 0.186022 0.000000 Tb\n0.730048 0.544026 0.000000 Tb\n0.813978 0.269952 0.000000 Tb\n0.000000 0.574353 0.500000 Tb\n0.425647 0.425647 0.500000 Tb\n0.574353 0.000000 0.500000 Tb\n0.000000 0.204944 0.500000 Tb\n0.795056 0.795056 0.500000 Tb\n0.204944 0.000000 0.500000 Tb\n0.000000 0.848306 0.000000 Re\n0.151694 0.151694 0.000000 Re\n0.848306 0.000000 0.000000 Re\n0.333333 0.666667 0.500000 Re\n0.666667 0.333333 0.500000 Re\n0.531686 0.722426 0.500000 C\n0.277574 0.809260 0.500000 C\n0.190740 0.468314 0.500000 C\n0.468314 0.190740 0.500000 C\n0.722426 0.531686 0.500000 C\n0.809260 0.277574 0.500000 C\n0.000000 0.667066 0.000000 C\n0.332934 0.332934 0.000000 C\n0.667066 0.000000 0.000000 C\n0.000000 0.541568 0.000000 C\n0.458432 0.458432 0.000000 C\n0.541568 0.000000 0.000000 C\n0.000000 0.214617 0.000000 C\n0.785383 0.785383 0.000000 C\n0.214617 0.000000 0.000000 C\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Tb",
"Re",
"C"
],
"chemical_system": "C-Re-Tb",
"density": 9.70879436048559,
"density_atomic": 0.06198745739550633,
"volume": 516.233466325718,
"volume_molar": 9.715095622613108,
"formula_full": "Tb12 Re5 C15",
"formula_reduced": "Tb12(ReC3)5",
"formula_anonymous": "A5B12C15",
"energy": -267.57208584,
"energy_per_atom": -8.3616276825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -267.57208584,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005787,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:55.484000Z",
"spacegroup": 189
},
{
"id": "mp-541859",
"created_at": "2022-09-04T14:48:21.525344Z",
"structure_string": "Tb12 Os5 C15\n1.0\n5.375163 -9.310055 0.000000\n5.375163 9.310055 0.000000\n0.000000 0.000000 5.115906\nTb Os C\n12 5 15\ndirect\n0.272415 0.455888 0.000000 Tb\n0.183473 0.727585 0.000000 Tb\n0.544112 0.816527 0.000000 Tb\n0.816527 0.544112 0.000000 Tb\n0.727585 0.183473 0.000000 Tb\n0.455888 0.272415 0.000000 Tb\n0.434311 0.000000 0.500000 Tb\n0.565689 0.565689 0.500000 Tb\n0.000000 0.434311 0.500000 Tb\n0.794008 0.000000 0.500000 Tb\n0.205992 0.205992 0.500000 Tb\n0.000000 0.794008 0.500000 Tb\n0.161061 0.000000 0.000000 Os\n0.838939 0.838939 0.000000 Os\n0.000000 0.161061 0.000000 Os\n0.333333 0.666667 0.500000 Os\n0.666667 0.333333 0.500000 Os\n0.282819 0.468367 0.500000 C\n0.185548 0.717181 0.500000 C\n0.531633 0.814452 0.500000 C\n0.814452 0.531633 0.500000 C\n0.717181 0.185548 0.500000 C\n0.468367 0.282819 0.500000 C\n0.335687 0.000000 0.000000 C\n0.664313 0.664313 0.000000 C\n0.000000 0.335687 0.000000 C\n0.460054 0.000000 0.000000 C\n0.539946 0.539946 0.000000 C\n0.000000 0.460054 0.000000 C\n0.792775 0.000000 0.000000 C\n0.207225 0.207225 0.000000 C\n0.000000 0.792775 0.000000 C\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Tb",
"Os",
"C"
],
"chemical_system": "C-Os-Tb",
"density": 9.853708465383727,
"density_atomic": 0.062496189905401574,
"volume": 512.0312141978151,
"volume_molar": 9.636012641915478,
"formula_full": "Tb12 Os5 C15",
"formula_reduced": "Tb12(OsC3)5",
"formula_anonymous": "A5B12C15",
"energy": -261.07329462,
"energy_per_atom": -8.158540456875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -261.07329462,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1980321,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:09.972000Z",
"spacegroup": 189
},
{
"id": "mp-1208738",
"created_at": "2022-09-04T14:47:46.495431Z",
"structure_string": "Tb12 Ni6 Pb1\n1.0\n-4.884836 4.884836 4.884836\n4.884836 -4.884836 4.884836\n4.884836 4.884836 -4.884836\nTb Ni Pb\n12 6 1\ndirect\n0.812430 0.694964 0.507394 Tb\n0.187570 0.305036 0.492606 Tb\n0.187570 0.694964 0.882533 Tb\n0.812430 0.305036 0.117467 Tb\n0.694964 0.507394 0.812430 Tb\n0.305036 0.492606 0.187570 Tb\n0.694964 0.882533 0.187570 Tb\n0.305036 0.117467 0.812430 Tb\n0.507394 0.812430 0.694964 Tb\n0.492606 0.187570 0.305036 Tb\n0.117467 0.812430 0.305036 Tb\n0.882533 0.187570 0.694964 Tb\n0.876028 0.376028 0.500000 Ni\n0.123972 0.623972 0.500000 Ni\n0.376028 0.500000 0.876028 Ni\n0.623972 0.500000 0.123972 Ni\n0.500000 0.876028 0.376028 Ni\n0.500000 0.123972 0.623972 Ni\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Tb",
"Ni",
"Pb"
],
"chemical_system": "Ni-Pb-Tb",
"density": 8.784438970426455,
"density_atomic": 0.0407515044781329,
"volume": 466.24045524982586,
"volume_molar": 14.777713944847012,
"formula_full": "Tb12 Ni6 Pb1",
"formula_reduced": "Tb12Ni6Pb",
"formula_anonymous": "AB6C12",
"energy": -100.97304839,
"energy_per_atom": -5.314370967894737,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.97304839,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0647366,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.089000Z",
"spacegroup": 204
},
{
"id": "mp-1208636",
"created_at": "2022-09-04T14:45:57.430560Z",
"structure_string": "Tb12 Mn5 C15\n1.0\n0.000000 0.000000 -5.089131\n-5.248558 -9.090770 0.000000\n-5.248558 9.090770 0.000000\nTb Mn C\n12 5 15\ndirect\n0.500000 0.206451 0.206451 Tb\n0.500000 0.000000 0.793549 Tb\n0.500000 0.793549 0.000000 Tb\n0.000000 0.730066 0.185532 Tb\n0.000000 0.455466 0.269934 Tb\n0.000000 0.544534 0.814468 Tb\n0.000000 0.814468 0.544534 Tb\n0.000000 0.185532 0.730066 Tb\n0.000000 0.269934 0.455466 Tb\n0.500000 0.572890 0.572890 Tb\n0.500000 0.000000 0.427110 Tb\n0.500000 0.427110 0.000000 Tb\n0.000000 0.847245 0.847245 Mn\n0.000000 0.000000 0.152755 Mn\n0.000000 0.152755 0.000000 Mn\n0.500000 0.666667 0.333333 Mn\n0.500000 0.333333 0.666667 Mn\n0.000000 0.676652 0.676652 C\n0.000000 0.000000 0.323348 C\n0.000000 0.323348 0.000000 C\n0.000000 0.200193 0.200193 C\n0.000000 0.000000 0.799807 C\n0.000000 0.799807 0.000000 C\n0.000000 0.547990 0.547990 C\n0.000000 0.000000 0.452010 C\n0.000000 0.452010 0.000000 C\n0.500000 0.714001 0.192269 C\n0.500000 0.478268 0.285999 C\n0.500000 0.521732 0.807731 C\n0.500000 0.807731 0.521732 C\n0.500000 0.192269 0.714001 C\n0.500000 0.285999 0.478268 C\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Tb",
"Mn",
"C"
],
"chemical_system": "C-Mn-Tb",
"density": 8.076187739910473,
"density_atomic": 0.06589245391732061,
"volume": 485.6398281987252,
"volume_molar": 9.139348137734189,
"formula_full": "Tb12 Mn5 C15",
"formula_reduced": "Tb12(MnC3)5",
"formula_anonymous": "A5B12C15",
"energy": -250.75568932,
"energy_per_atom": -7.83611529125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -250.75568932,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7882478,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.249000Z",
"spacegroup": 189
},
{
"id": "mp-1217873",
"created_at": "2022-09-04T14:47:45.372295Z",
"structure_string": "Tb12 Ge5 S28\n1.0\n9.914030 0.000000 0.000000\n-4.956146 10.321056 0.000000\n-4.956416 -3.916308 9.555073\nTb Ge S\n12 5 28\ndirect\n0.062358 0.932741 0.297284 Tb\n0.587014 0.462491 0.808817 Tb\n0.920644 0.697697 0.573322 Tb\n0.413789 0.180539 0.050969 Tb\n0.399252 0.745861 0.525474 Tb\n0.870567 0.233817 0.996659 Tb\n0.916154 0.036846 0.692803 Tb\n0.430262 0.566277 0.199037 Tb\n0.082403 0.316045 0.448818 Tb\n0.582279 0.804192 0.926342 Tb\n0.631306 0.266289 0.497478 Tb\n0.099813 0.754168 0.977549 Tb\n0.410749 0.080376 0.746080 Ge\n0.916020 0.579575 0.247702 Ge\n0.665003 0.997731 0.332321 Ge\n0.166397 0.499986 0.832358 Ge\n0.236949 0.237127 0.237440 Ge\n0.645512 0.241828 0.748845 S\n0.161865 0.733384 0.257788 S\n0.304163 0.208980 0.782105 S\n0.801885 0.697809 0.293094 S\n0.530962 0.043870 0.944632 S\n0.027042 0.545529 0.447314 S\n0.586194 0.005869 0.487323 S\n0.088327 0.505137 0.989344 S\n0.939823 0.038856 0.454662 S\n0.438391 0.537230 0.957253 S\n0.713714 0.197497 0.296502 S\n0.215409 0.697681 0.796642 S\n0.223923 0.889579 0.557276 S\n0.723173 0.390318 0.056195 S\n0.976302 0.302821 0.648578 S\n0.474470 0.814252 0.135655 S\n0.317470 0.228752 0.465736 S\n0.832039 0.736848 0.999764 S\n0.082451 0.914627 0.820702 S\n0.539757 0.392660 0.302685 S\n0.690781 0.950996 0.782940 S\n0.183909 0.422604 0.273773 S\n0.648565 0.744233 0.483404 S\n0.159277 0.244853 0.002166 S\n0.923672 0.080713 0.166056 S\n0.401091 0.565904 0.661426 S\n0.287290 0.044262 0.201922 S\n0.792078 0.531651 0.696265 S\n",
"nsites": 45,
"nelements": 3,
"elements": [
"Tb",
"Ge",
"S"
],
"chemical_system": "Ge-S-Tb",
"density": 5.380751355719686,
"density_atomic": 0.04602609623529359,
"volume": 977.7062075817161,
"volume_molar": 13.084187564406383,
"formula_full": "Tb12 Ge5 S28",
"formula_reduced": "Tb12Ge5S28",
"formula_anonymous": "A5B12C28",
"energy": -275.05046337,
"energy_per_atom": -6.112232519333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -260.96646337,
"band_gap": 1.0042000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0063512,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.452000Z",
"spacegroup": 1
},
{
"id": "mp-1217857",
"created_at": "2022-09-04T14:45:36.201342Z",
"structure_string": "Tb12 Fe1 Co1 Bi4\n1.0\n0.000000 0.000000 -4.158515\n-4.194222 -7.257116 0.000000\n-12.742525 7.252836 0.000000\nTb Fe Co Bi\n12 1 1 4\ndirect\n0.500000 0.190740 0.195109 Tb\n0.500000 0.689481 0.693761 Tb\n0.000000 0.878836 0.109777 Tb\n0.000000 0.376348 0.609381 Tb\n0.000000 0.718709 0.494582 Tb\n0.000000 0.219838 0.994770 Tb\n0.000000 0.371472 0.376328 Tb\n0.000000 0.876406 0.878126 Tb\n0.500000 0.690599 0.296851 Tb\n0.500000 0.190842 0.795098 Tb\n0.500000 0.598182 0.995878 Tb\n0.500000 0.096359 0.497028 Tb\n0.500000 0.480644 0.489033 Fe\n0.500000 0.976254 0.988692 Co\n0.000000 0.990561 0.329877 Bi\n0.000000 0.493165 0.829579 Bi\n0.000000 0.490670 0.162257 Bi\n0.000000 0.988463 0.662244 Bi\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Tb",
"Fe",
"Co",
"Bi"
],
"chemical_system": "Bi-Co-Fe-Tb",
"density": 9.285656890846619,
"density_atomic": 0.03522115559122536,
"volume": 511.05648573564514,
"volume_molar": 17.098078296727707,
"formula_full": "Tb12 Fe1 Co1 Bi4",
"formula_reduced": "Tb12FeCoBi4",
"formula_anonymous": "ABC4D12",
"energy": -94.55697989,
"energy_per_atom": -5.253165549444444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.55697989,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1418057,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.777000Z",
"spacegroup": 6
},
{
"id": "mp-30967",
"created_at": "2022-09-04T14:44:28.776858Z",
"structure_string": "Tb24 Co14\n1.0\n11.303598 0.000000 0.000000\n0.000000 8.318907 0.000000\n0.000000 6.430913 9.023400\nTb Co\n24 14\ndirect\n0.705600 0.233864 0.539213 Tb\n0.205600 0.766136 0.960787 Tb\n0.840425 0.502021 0.658437 Tb\n0.340425 0.497979 0.841563 Tb\n0.159575 0.497979 0.341563 Tb\n0.659575 0.502021 0.158437 Tb\n0.003555 0.841888 0.353528 Tb\n0.503555 0.158112 0.146472 Tb\n0.996445 0.158112 0.646472 Tb\n0.496445 0.841888 0.853528 Tb\n0.794400 0.233864 0.039213 Tb\n0.294400 0.766136 0.460787 Tb\n0.928514 0.767853 0.085623 Tb\n0.428514 0.232147 0.414377 Tb\n0.071486 0.232147 0.914377 Tb\n0.571486 0.767853 0.585623 Tb\n0.300831 0.248614 0.676385 Tb\n0.800831 0.751386 0.823615 Tb\n0.699169 0.751386 0.323615 Tb\n0.199169 0.248614 0.176385 Tb\n0.930334 0.262122 0.308734 Tb\n0.430334 0.737878 0.191266 Tb\n0.069666 0.737878 0.691266 Tb\n0.569666 0.262122 0.808734 Tb\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.678390 0.906023 0.027662 Co\n0.178390 0.093977 0.472338 Co\n0.321610 0.093977 0.972338 Co\n0.821610 0.906023 0.527662 Co\n0.400331 0.495590 0.099730 Co\n0.900331 0.504410 0.400270 Co\n0.599669 0.504410 0.900270 Co\n0.099669 0.495590 0.599730 Co\n0.810798 0.098885 0.841086 Co\n0.310798 0.901115 0.658914 Co\n0.189202 0.901115 0.158914 Co\n0.689202 0.098885 0.341086 Co\n",
"nsites": 38,
"nelements": 2,
"elements": [
"Tb",
"Co"
],
"chemical_system": "Co-Tb",
"density": 9.079163902835027,
"density_atomic": 0.044784776768367965,
"volume": 848.5026105308146,
"volume_molar": 13.446847778536904,
"formula_full": "Tb24 Co14",
"formula_reduced": "Tb12Co7",
"formula_anonymous": "A7B12",
"energy": -216.83174165,
"energy_per_atom": -5.706098464473684,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -216.83174165,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2602988,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:44.942000Z",
"spacegroup": 14
}
]
}