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_full&page=1765",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_full&page=1763",
"results": [
{
"id": "mp-1203711",
"created_at": "2022-09-04T14:41:28.758768Z",
"structure_string": "Tb12 H88 N16 O102\n1.0\n11.617810 0.000000 0.000000\n-4.526659 10.897467 0.000000\n-0.175735 -0.461013 16.744850\nTb H N O\n12 88 16 102\ndirect\n0.800974 0.977081 0.067677 Tb\n0.199026 0.022919 0.932323 Tb\n0.877762 0.896067 0.877468 Tb\n0.122238 0.103933 0.122532 Tb\n0.982015 0.794380 0.049576 Tb\n0.017985 0.205620 0.950424 Tb\n0.292800 0.984910 0.551053 Tb\n0.707200 0.015090 0.448947 Tb\n0.392772 0.874600 0.377626 Tb\n0.607228 0.125400 0.622374 Tb\n0.476188 0.806097 0.568332 Tb\n0.523812 0.193903 0.431668 Tb\n0.724093 0.725185 0.996360 H\n0.275907 0.274815 0.003640 H\n0.745198 0.063331 0.916008 H\n0.254802 0.936669 0.083992 H\n0.045072 0.766652 0.876401 H\n0.954928 0.233348 0.123599 H\n0.923357 0.892272 0.199793 H\n0.076643 0.107728 0.800207 H\n0.676379 0.832898 0.210898 H\n0.323621 0.167102 0.789102 H\n0.593385 0.746111 0.140409 H\n0.406615 0.253889 0.859591 H\n0.512246 0.875168 0.041719 H\n0.487754 0.124832 0.958281 H\n0.575741 0.866776 0.957236 H\n0.424259 0.133224 0.042764 H\n0.625272 0.875188 0.813374 H\n0.374728 0.124812 0.186626 H\n0.590990 0.742049 0.848153 H\n0.409010 0.257951 0.151847 H\n0.802952 0.621006 0.874074 H\n0.197048 0.378994 0.125926 H\n0.743541 0.646014 0.790509 H\n0.256459 0.353986 0.209491 H\n0.822713 0.527612 0.001584 H\n0.177287 0.472388 0.998416 H\n0.944633 0.571376 0.947392 H\n0.055367 0.428624 0.052608 H\n0.762338 0.687843 0.154689 H\n0.237662 0.312157 0.845311 H\n0.821453 0.584819 0.158112 H\n0.178547 0.415181 0.841888 H\n0.513818 0.520811 0.868654 H\n0.486182 0.479189 0.131346 H\n0.432900 0.551657 0.805281 H\n0.567100 0.448343 0.194719 H\n0.407611 0.618137 0.059153 H\n0.592389 0.381863 0.940847 H\n0.396287 0.633320 0.150969 H\n0.603713 0.366680 0.849031 H\n0.701803 0.327154 0.034548 H\n0.298197 0.672846 0.965452 H\n0.625715 0.401099 0.072959 H\n0.374285 0.598901 0.927041 H\n0.222777 0.725138 0.500339 H\n0.777223 0.274862 0.499661 H\n0.259879 0.040841 0.380736 H\n0.740121 0.959159 0.619264 H\n0.564754 0.745400 0.419524 H\n0.435246 0.254600 0.580476 H\n0.392118 0.932120 0.700193 H\n0.607882 0.067880 0.299807 H\n0.090751 0.841975 0.671723 H\n0.909249 0.158025 0.328277 H\n0.177179 0.767577 0.651810 H\n0.822821 0.232423 0.348190 H\n0.048099 0.930314 0.452106 H\n0.951901 0.069686 0.547894 H\n0.017714 0.813662 0.504416 H\n0.982286 0.186338 0.495584 H\n0.136704 0.768351 0.284863 H\n0.863296 0.231649 0.715137 H\n0.114504 0.801711 0.375184 H\n0.885496 0.198289 0.624816 H\n0.241302 0.593150 0.348170 H\n0.758698 0.406850 0.651830 H\n0.387425 0.625882 0.329157 H\n0.612575 0.374118 0.670843 H\n0.379565 0.519782 0.541838 H\n0.620435 0.480218 0.458162 H\n0.361242 0.587667 0.462290 H\n0.638758 0.412333 0.537710 H\n0.301334 0.692358 0.712096 H\n0.698666 0.307642 0.287904 H\n0.244927 0.601565 0.639110 H\n0.755073 0.398435 0.360890 H\n0.814283 0.692473 0.537858 H\n0.185717 0.307527 0.462142 H\n0.897542 0.626291 0.573465 H\n0.102458 0.373709 0.426535 H\n0.883276 0.593914 0.435348 H\n0.116724 0.406086 0.564652 H\n0.865111 0.590359 0.341957 H\n0.134889 0.409641 0.658043 H\n0.053672 0.427861 0.300155 H\n0.946328 0.572139 0.699845 H\n0.019975 0.508813 0.363125 H\n0.980025 0.491187 0.636875 H\n0.681408 0.132937 0.145396 N\n0.318592 0.867063 0.854604 N\n0.910303 0.908410 0.700628 N\n0.089697 0.091590 0.299372 N\n0.137917 0.686713 0.135052 N\n0.862083 0.313287 0.864948 N\n0.178328 0.128279 0.643797 N\n0.821672 0.871721 0.356203 N\n0.405463 0.898473 0.201542 N\n0.594537 0.101527 0.798458 N\n0.635622 0.691063 0.644074 N\n0.364378 0.308937 0.355926 N\n0.903655 0.417809 0.173368 N\n0.096345 0.582191 0.826632 N\n0.410075 0.413511 0.679373 N\n0.589925 0.586489 0.320627 N\n0.000000 0.000000 0.000000 O\n0.796243 0.802025 0.996951 O\n0.203757 0.197975 0.003049 O\n0.816861 0.047224 0.936144 O\n0.183139 0.952776 0.063856 O\n0.036906 0.829640 0.913124 O\n0.963094 0.170360 0.086876 O\n0.945247 0.925432 0.146536 O\n0.054753 0.074568 0.853464 O\n0.679625 0.803457 0.156051 O\n0.320375 0.196543 0.843949 O\n0.589522 0.884091 0.014985 O\n0.410478 0.115909 0.985015 O\n0.643037 0.831044 0.857630 O\n0.356963 0.168956 0.142370 O\n0.782562 0.680315 0.842360 O\n0.217438 0.319685 0.157640 O\n0.881513 0.597931 0.972323 O\n0.118487 0.402069 0.027677 O\n0.815943 0.653261 0.126865 O\n0.184057 0.346739 0.873135 O\n0.480496 0.584311 0.855570 O\n0.519504 0.415689 0.144430 O\n0.450614 0.618432 0.111559 O\n0.549386 0.381568 0.888441 O\n0.676109 0.396263 0.026243 O\n0.323891 0.603737 0.973757 O\n0.704661 0.146000 0.071195 O\n0.295339 0.854000 0.928805 O\n0.712591 0.053623 0.181688 O\n0.287409 0.946377 0.818312 O\n0.630016 0.193288 0.181848 O\n0.369984 0.806712 0.818152 O\n0.977937 0.866636 0.741680 O\n0.022063 0.133364 0.258320 O\n0.831403 0.939902 0.738475 O\n0.168597 0.060098 0.261525 O\n0.919829 0.917994 0.626883 O\n0.080171 0.082006 0.373117 O\n0.081150 0.744096 0.174809 O\n0.918850 0.255904 0.825191 O\n0.128053 0.686393 0.059015 O\n0.871947 0.313607 0.940985 O\n0.198138 0.634630 0.169611 O\n0.801862 0.365370 0.830389 O\n0.500000 0.000000 0.500000 O\n0.296799 0.800091 0.498694 O\n0.703201 0.199909 0.501306 O\n0.325875 0.033675 0.414333 O\n0.674125 0.966325 0.585667 O\n0.547735 0.817830 0.437146 O\n0.452265 0.182170 0.562854 O\n0.425887 0.950354 0.646696 O\n0.574113 0.049646 0.353304 O\n0.146843 0.829249 0.631885 O\n0.853157 0.170751 0.368115 O\n0.086174 0.877800 0.475771 O\n0.913826 0.122200 0.524229 O\n0.171932 0.782655 0.339690 O\n0.828068 0.217345 0.660310 O\n0.328526 0.646795 0.363644 O\n0.671474 0.353205 0.636356 O\n0.375214 0.595338 0.520707 O\n0.624786 0.404662 0.479293 O\n0.291767 0.689440 0.653907 O\n0.708233 0.310560 0.346093 O\n0.887311 0.672513 0.526726 O\n0.112689 0.327487 0.473274 O\n0.890926 0.550469 0.385044 O\n0.109074 0.449531 0.614956 O\n0.084374 0.475014 0.350386 O\n0.915626 0.524986 0.649614 O\n0.165082 0.111238 0.567917 O\n0.834918 0.888762 0.432083 O\n0.255584 0.090787 0.678421 O\n0.744416 0.909213 0.321579 O\n0.117505 0.177229 0.682384 O\n0.882495 0.822771 0.317616 O\n0.448280 0.829043 0.238595 O\n0.551720 0.170957 0.761405 O\n0.362625 0.964313 0.243796 O\n0.637375 0.035687 0.756204 O\n0.403779 0.901577 0.126895 O\n0.596221 0.098423 0.873105 O\n0.556552 0.723776 0.680920 O\n0.443448 0.276224 0.319080 O\n0.645385 0.708546 0.569064 O\n0.354615 0.291454 0.430936 O\n0.700480 0.643871 0.679570 O\n0.299520 0.356129 0.320430 O\n0.837684 0.463582 0.211790 O\n0.162316 0.536418 0.788210 O\n0.935083 0.451071 0.103040 O\n0.064917 0.548929 0.896960 O\n0.936977 0.337962 0.205723 O\n0.063023 0.662038 0.794277 O\n0.341048 0.458469 0.714385 O\n0.658952 0.541531 0.285615 O\n0.400375 0.394304 0.603649 O\n0.599625 0.605696 0.396351 O\n0.488874 0.386476 0.719232 O\n0.511126 0.613524 0.280768 O\n",
"nsites": 218,
"nelements": 4,
"elements": [
"Tb",
"H",
"N",
"O"
],
"chemical_system": "H-N-O-Tb",
"density": 3.01708293435587,
"density_atomic": 0.10283131744691872,
"volume": 2119.976729001173,
"volume_molar": 5.856329481637358,
"formula_full": "Tb12 H88 N16 O102",
"formula_reduced": "Tb6H44N8O51",
"formula_anonymous": "A6B8C44D51",
"energy": -1331.50186681,
"energy_per_atom": -6.1078067284862385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1261.42786681,
"band_gap": 3.0702000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.3577836,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:24.698000Z",
"spacegroup": 2
},
{
"id": "mp-1208569",
"created_at": "2022-09-04T14:44:19.082499Z",
"structure_string": "Tb12 Ge8 Rh8\n1.0\n5.621895 0.000000 0.000000\n0.000000 7.900554 0.000000\n0.000000 0.000000 13.285324\nTb Ge Rh\n12 8 8\ndirect\n0.633538 0.251898 0.250000 Tb\n0.366462 0.748102 0.750000 Tb\n0.366462 0.751898 0.250000 Tb\n0.633538 0.248102 0.750000 Tb\n0.146407 0.393414 0.100315 Tb\n0.853593 0.606586 0.899685 Tb\n0.853593 0.606586 0.600315 Tb\n0.853593 0.893414 0.399685 Tb\n0.146407 0.393414 0.399685 Tb\n0.146407 0.106586 0.600315 Tb\n0.146407 0.106586 0.899685 Tb\n0.853593 0.893414 0.100315 Tb\n0.132518 0.107391 0.250000 Ge\n0.867482 0.892609 0.750000 Ge\n0.867482 0.607391 0.250000 Ge\n0.132518 0.392609 0.750000 Ge\n0.658909 0.250000 0.000000 Ge\n0.341091 0.750000 0.000000 Ge\n0.341091 0.750000 0.500000 Ge\n0.658909 0.250000 0.500000 Ge\n0.375966 0.038563 0.093359 Rh\n0.624034 0.961437 0.906641 Rh\n0.624034 0.961437 0.593359 Rh\n0.624034 0.538563 0.406641 Rh\n0.375966 0.038563 0.406641 Rh\n0.375966 0.461437 0.593359 Rh\n0.375966 0.461437 0.906641 Rh\n0.624034 0.538563 0.093359 Rh\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Tb",
"Ge",
"Rh"
],
"chemical_system": "Ge-Rh-Tb",
"density": 9.318741402670705,
"density_atomic": 0.047451025761469055,
"volume": 590.0820804328412,
"volume_molar": 12.691276244000756,
"formula_full": "Tb12 Ge8 Rh8",
"formula_reduced": "Tb3(GeRh)2",
"formula_anonymous": "A2B2C3",
"energy": -177.23802726,
"energy_per_atom": -6.329929545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -177.23802726,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017749,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.800000Z",
"spacegroup": 57
},
{
"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-1211078",
"created_at": "2022-09-04T14:45:21.852808Z",
"structure_string": "Tb12 Ge36 Rh60\n1.0\n0.000000 0.000000 -3.935618\n-11.378714 -19.708511 0.000000\n-11.378714 19.708511 0.000000\nTb Ge Rh\n12 36 60\ndirect\n0.750000 0.734571 0.770189 Tb\n0.250000 0.265429 0.229811 Tb\n0.750000 0.035619 0.265429 Tb\n0.250000 0.964381 0.734571 Tb\n0.750000 0.229811 0.964381 Tb\n0.250000 0.770189 0.035619 Tb\n0.750000 0.384156 0.524622 Tb\n0.250000 0.615844 0.475378 Tb\n0.750000 0.140466 0.615844 Tb\n0.250000 0.859534 0.384156 Tb\n0.750000 0.475378 0.859534 Tb\n0.250000 0.524622 0.140466 Tb\n0.750000 0.888949 0.062866 Ge\n0.250000 0.111051 0.937134 Ge\n0.750000 0.173917 0.111051 Ge\n0.250000 0.826083 0.888949 Ge\n0.750000 0.937134 0.826083 Ge\n0.250000 0.062866 0.173917 Ge\n0.750000 0.638394 0.165022 Ge\n0.250000 0.361606 0.834978 Ge\n0.750000 0.526629 0.361606 Ge\n0.250000 0.473371 0.638394 Ge\n0.750000 0.834978 0.473371 Ge\n0.250000 0.165022 0.526629 Ge\n0.750000 0.779071 0.266923 Ge\n0.250000 0.220929 0.733077 Ge\n0.750000 0.487852 0.220929 Ge\n0.250000 0.512148 0.779071 Ge\n0.750000 0.733077 0.512148 Ge\n0.250000 0.266923 0.487852 Ge\n0.750000 0.739405 0.124023 Ge\n0.250000 0.260595 0.875977 Ge\n0.750000 0.384618 0.260595 Ge\n0.250000 0.615382 0.739405 Ge\n0.750000 0.875977 0.615382 Ge\n0.250000 0.124023 0.384618 Ge\n0.750000 0.984376 0.414888 Ge\n0.250000 0.015624 0.585112 Ge\n0.750000 0.430512 0.015624 Ge\n0.250000 0.569488 0.984376 Ge\n0.750000 0.585112 0.569488 Ge\n0.250000 0.414888 0.430512 Ge\n0.750000 0.683174 0.917737 Ge\n0.250000 0.316826 0.082263 Ge\n0.750000 0.234563 0.316826 Ge\n0.250000 0.765437 0.683174 Ge\n0.750000 0.082263 0.765437 Ge\n0.250000 0.917737 0.234563 Ge\n0.750000 0.744601 0.353619 Rh\n0.250000 0.255399 0.646381 Rh\n0.750000 0.609018 0.255399 Rh\n0.250000 0.390982 0.744601 Rh\n0.750000 0.646381 0.390982 Rh\n0.250000 0.353619 0.609018 Rh\n0.750000 0.446808 0.696529 Rh\n0.250000 0.553192 0.303471 Rh\n0.750000 0.249721 0.553192 Rh\n0.250000 0.750279 0.446808 Rh\n0.750000 0.303471 0.750279 Rh\n0.250000 0.696529 0.249721 Rh\n0.750000 0.859839 0.154473 Rh\n0.250000 0.140161 0.845527 Rh\n0.750000 0.294634 0.140161 Rh\n0.250000 0.705366 0.859839 Rh\n0.750000 0.845527 0.705366 Rh\n0.250000 0.154473 0.294634 Rh\n0.750000 0.957778 0.506226 Rh\n0.250000 0.042222 0.493774 Rh\n0.750000 0.548448 0.042222 Rh\n0.250000 0.451552 0.957778 Rh\n0.750000 0.493774 0.451552 Rh\n0.250000 0.506226 0.548448 Rh\n0.750000 0.591574 0.798395 Rh\n0.250000 0.408426 0.201605 Rh\n0.750000 0.206820 0.408426 Rh\n0.250000 0.793180 0.591574 Rh\n0.750000 0.201605 0.793180 Rh\n0.250000 0.798395 0.206820 Rh\n0.750000 0.802185 0.943438 Rh\n0.250000 0.197815 0.056562 Rh\n0.750000 0.141253 0.197815 Rh\n0.250000 0.858747 0.802185 Rh\n0.750000 0.056562 0.858747 Rh\n0.250000 0.943438 0.141253 Rh\n0.750000 0.899553 0.294341 Rh\n0.250000 0.100447 0.705659 Rh\n0.750000 0.394788 0.100447 Rh\n0.250000 0.605212 0.899553 Rh\n0.750000 0.705659 0.605212 Rh\n0.250000 0.294341 0.394788 Rh\n0.750000 0.910924 0.917668 Rh\n0.250000 0.089076 0.082332 Rh\n0.750000 0.006744 0.089076 Rh\n0.250000 0.993256 0.910924 Rh\n0.750000 0.082332 0.993256 Rh\n0.250000 0.917668 0.006744 Rh\n0.750000 0.551688 0.657435 Rh\n0.250000 0.448312 0.342565 Rh\n0.750000 0.105747 0.448312 Rh\n0.250000 0.894253 0.551688 Rh\n0.750000 0.342565 0.894253 Rh\n0.250000 0.657435 0.105747 Rh\n0.750000 0.648324 0.004386 Rh\n0.250000 0.351676 0.995614 Rh\n0.750000 0.356063 0.351676 Rh\n0.250000 0.643937 0.648324 Rh\n0.750000 0.995614 0.643937 Rh\n0.250000 0.004386 0.356063 Rh\n",
"nsites": 108,
"nelements": 3,
"elements": [
"Tb",
"Ge",
"Rh"
],
"chemical_system": "Ge-Rh-Tb",
"density": 10.062359184504729,
"density_atomic": 0.06118343077976468,
"volume": 1765.1837862567043,
"volume_molar": 9.842764100099654,
"formula_full": "Tb12 Ge36 Rh60",
"formula_reduced": "TbGe3Rh5",
"formula_anonymous": "AB3C5",
"energy": -739.0779378,
"energy_per_atom": -6.843314238888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -739.0779378,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.463000Z",
"spacegroup": 176
},
{
"id": "mp-1208850",
"created_at": "2022-09-04T14:48:08.921845Z",
"structure_string": "Tb12 Ge24 Pt16\n1.0\n4.401550 0.000000 0.000000\n0.000000 8.869772 0.000000\n0.000000 0.000000 25.942302\nTb Ge Pt\n12 24 16\ndirect\n0.250000 0.374953 0.279833 Tb\n0.750000 0.625047 0.720167 Tb\n0.750000 0.874953 0.220167 Tb\n0.250000 0.125047 0.779833 Tb\n0.250000 0.134728 0.407540 Tb\n0.750000 0.865272 0.592460 Tb\n0.750000 0.634728 0.092460 Tb\n0.250000 0.365272 0.907540 Tb\n0.250000 0.613879 0.408085 Tb\n0.750000 0.386121 0.591915 Tb\n0.750000 0.113879 0.091915 Tb\n0.250000 0.886121 0.908085 Tb\n0.250000 0.727427 0.285613 Ge\n0.750000 0.272573 0.714387 Ge\n0.750000 0.227427 0.214387 Ge\n0.250000 0.772573 0.785613 Ge\n0.250000 0.374054 0.142401 Ge\n0.750000 0.625946 0.857599 Ge\n0.750000 0.874054 0.357599 Ge\n0.250000 0.125946 0.642401 Ge\n0.250000 0.022028 0.285388 Ge\n0.750000 0.977972 0.714612 Ge\n0.750000 0.522028 0.214612 Ge\n0.250000 0.477972 0.785388 Ge\n0.250000 0.873979 0.139014 Ge\n0.750000 0.126021 0.860986 Ge\n0.750000 0.373979 0.360986 Ge\n0.250000 0.626021 0.639014 Ge\n0.250000 0.127496 0.002921 Ge\n0.750000 0.872504 0.997079 Ge\n0.750000 0.627496 0.497079 Ge\n0.250000 0.372504 0.502921 Ge\n0.250000 0.877179 0.499068 Ge\n0.750000 0.122821 0.500932 Ge\n0.750000 0.377179 0.000932 Ge\n0.250000 0.622821 0.999068 Ge\n0.250000 0.626100 0.187421 Pt\n0.750000 0.373900 0.812579 Pt\n0.750000 0.126100 0.312579 Pt\n0.250000 0.873900 0.687421 Pt\n0.250000 0.628120 0.544555 Pt\n0.750000 0.371880 0.455445 Pt\n0.750000 0.128120 0.955445 Pt\n0.250000 0.871880 0.044555 Pt\n0.250000 0.122182 0.187419 Pt\n0.750000 0.877818 0.812581 Pt\n0.750000 0.622182 0.312581 Pt\n0.250000 0.377818 0.687419 Pt\n0.250000 0.378717 0.049154 Pt\n0.750000 0.621283 0.950846 Pt\n0.750000 0.878717 0.450846 Pt\n0.250000 0.121283 0.549154 Pt\n",
"nsites": 52,
"nelements": 3,
"elements": [
"Tb",
"Ge",
"Pt"
],
"chemical_system": "Ge-Pt-Tb",
"density": 11.102662536681526,
"density_atomic": 0.05134246750740227,
"volume": 1012.8067957096712,
"volume_molar": 11.729355935477315,
"formula_full": "Tb12 Ge24 Pt16",
"formula_reduced": "Tb3(Ge3Pt2)2",
"formula_anonymous": "A3B4C6",
"energy": -309.40300159,
"energy_per_atom": -5.9500577228846145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -309.40300159,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021573,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:32.657000Z",
"spacegroup": 62
},
{
"id": "mp-1210802",
"created_at": "2022-09-04T14:39:24.295206Z",
"structure_string": "Tb12 Ga60 Ru16\n1.0\n8.809108 0.000000 0.000000\n0.000000 9.682026 0.000000\n0.000000 0.000000 17.824223\nTb Ga Ru\n12 60 16\ndirect\n0.375671 0.250000 0.168058 Tb\n0.624329 0.750000 0.831942 Tb\n0.124329 0.750000 0.668058 Tb\n0.875671 0.250000 0.331942 Tb\n0.375323 0.250000 0.748335 Tb\n0.624677 0.750000 0.251665 Tb\n0.124677 0.750000 0.248335 Tb\n0.875323 0.250000 0.751665 Tb\n0.125765 0.250000 0.524593 Tb\n0.874235 0.750000 0.475407 Tb\n0.374235 0.750000 0.024593 Tb\n0.625765 0.250000 0.975407 Tb\n0.126474 0.060496 0.252800 Ga\n0.873526 0.939504 0.747200 Ga\n0.373526 0.939504 0.752800 Ga\n0.873526 0.560496 0.747200 Ga\n0.626474 0.060496 0.247200 Ga\n0.126474 0.439504 0.252800 Ga\n0.626474 0.439504 0.247200 Ga\n0.373526 0.560496 0.752800 Ga\n0.007518 0.250000 0.168379 Ga\n0.992482 0.750000 0.831621 Ga\n0.492482 0.750000 0.668379 Ga\n0.507518 0.250000 0.331621 Ga\n0.132825 0.250000 0.041788 Ga\n0.867175 0.750000 0.958212 Ga\n0.367175 0.750000 0.541788 Ga\n0.632825 0.250000 0.458212 Ga\n0.374465 0.577289 0.331573 Ga\n0.625535 0.422711 0.668427 Ga\n0.125535 0.422711 0.831573 Ga\n0.625535 0.077289 0.668427 Ga\n0.874465 0.577289 0.168427 Ga\n0.374465 0.922711 0.331573 Ga\n0.874465 0.922711 0.168427 Ga\n0.125535 0.077289 0.831573 Ga\n0.221343 0.250000 0.359161 Ga\n0.778657 0.750000 0.640839 Ga\n0.278657 0.750000 0.859161 Ga\n0.721343 0.250000 0.140839 Ga\n0.124133 0.086852 0.671788 Ga\n0.875867 0.913148 0.328212 Ga\n0.375867 0.913148 0.171788 Ga\n0.875867 0.586852 0.328212 Ga\n0.624133 0.086852 0.828212 Ga\n0.124133 0.413148 0.671788 Ga\n0.624133 0.413148 0.828212 Ga\n0.375867 0.586852 0.171788 Ga\n0.377518 0.061218 0.465264 Ga\n0.622482 0.938782 0.534736 Ga\n0.122482 0.938782 0.965264 Ga\n0.622482 0.561218 0.534736 Ga\n0.877518 0.061218 0.034736 Ga\n0.377518 0.438782 0.465264 Ga\n0.877518 0.438782 0.034736 Ga\n0.122482 0.561218 0.965264 Ga\n0.451039 0.250000 0.577627 Ga\n0.548961 0.750000 0.422373 Ga\n0.048961 0.750000 0.077627 Ga\n0.951039 0.250000 0.922373 Ga\n0.304522 0.250000 0.918129 Ga\n0.695478 0.750000 0.081871 Ga\n0.195478 0.750000 0.418129 Ga\n0.804522 0.250000 0.581871 Ga\n0.373707 0.068641 0.032912 Ga\n0.626293 0.931359 0.967088 Ga\n0.126293 0.931359 0.532912 Ga\n0.626293 0.568641 0.967088 Ga\n0.873707 0.068641 0.467088 Ga\n0.373707 0.431359 0.032912 Ga\n0.873707 0.431359 0.467088 Ga\n0.126293 0.568641 0.532912 Ga\n0.117823 0.003781 0.390220 Ru\n0.882177 0.996219 0.609780 Ru\n0.382177 0.996219 0.890220 Ru\n0.882177 0.503781 0.609780 Ru\n0.617823 0.003781 0.109780 Ru\n0.117823 0.496219 0.390220 Ru\n0.617823 0.496219 0.109780 Ru\n0.382177 0.503781 0.890220 Ru\n0.130185 0.004808 0.113353 Ru\n0.869815 0.995192 0.886647 Ru\n0.369815 0.995192 0.613353 Ru\n0.869815 0.504808 0.886647 Ru\n0.630185 0.004808 0.386647 Ru\n0.130185 0.495192 0.113353 Ru\n0.630185 0.495192 0.386647 Ru\n0.369815 0.504808 0.613353 Ru\n",
"nsites": 88,
"nelements": 3,
"elements": [
"Tb",
"Ga",
"Ru"
],
"chemical_system": "Ga-Ru-Tb",
"density": 8.418984619702982,
"density_atomic": 0.057886046093557436,
"volume": 1520.2282059094405,
"volume_molar": 10.403441185578313,
"formula_full": "Tb12 Ga60 Ru16",
"formula_reduced": "Tb3Ga15Ru4",
"formula_anonymous": "A3B4C15",
"energy": -431.65589764999993,
"energy_per_atom": -4.905180655113636,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -431.65589764999993,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2805825,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.853000Z",
"spacegroup": 62
},
{
"id": "mp-1203765",
"created_at": "2022-09-04T14:42:24.668345Z",
"structure_string": "Tb12 Ga42 Co14\n1.0\n16.692292 0.000000 0.000000\n0.000000 16.692292 0.000000\n0.000000 0.000000 4.144312\nTb Ga Co\n12 42 14\ndirect\n0.107294 0.607294 0.500000 Tb\n0.892706 0.392706 0.500000 Tb\n0.392706 0.107294 0.500000 Tb\n0.607294 0.892706 0.500000 Tb\n0.657776 0.586841 0.000000 Tb\n0.342224 0.413159 0.000000 Tb\n0.842224 0.086841 0.000000 Tb\n0.157776 0.913159 0.000000 Tb\n0.586841 0.342224 0.000000 Tb\n0.413159 0.657776 0.000000 Tb\n0.086841 0.157776 0.000000 Tb\n0.913159 0.842224 0.000000 Tb\n0.000000 0.500000 0.000000 Ga\n0.500000 0.000000 0.000000 Ga\n0.320455 0.820455 0.000000 Ga\n0.679545 0.179545 0.000000 Ga\n0.179545 0.320455 0.000000 Ga\n0.820455 0.679545 0.000000 Ga\n0.425495 0.925495 0.500000 Ga\n0.574505 0.074505 0.500000 Ga\n0.074505 0.425495 0.500000 Ga\n0.925495 0.574505 0.500000 Ga\n0.575378 0.758396 0.000000 Ga\n0.424622 0.241604 0.000000 Ga\n0.924622 0.258396 0.000000 Ga\n0.075378 0.741604 0.000000 Ga\n0.758396 0.424622 0.000000 Ga\n0.241604 0.575378 0.000000 Ga\n0.258396 0.075378 0.000000 Ga\n0.741604 0.924622 0.000000 Ga\n0.531670 0.608403 0.500000 Ga\n0.468330 0.391597 0.500000 Ga\n0.968330 0.108403 0.500000 Ga\n0.031670 0.891597 0.500000 Ga\n0.608403 0.468330 0.500000 Ga\n0.391597 0.531670 0.500000 Ga\n0.108403 0.031670 0.500000 Ga\n0.891597 0.968330 0.500000 Ga\n0.678420 0.710597 0.500000 Ga\n0.321580 0.289403 0.500000 Ga\n0.821580 0.210597 0.500000 Ga\n0.178420 0.789403 0.500000 Ga\n0.710597 0.321580 0.500000 Ga\n0.289403 0.678420 0.500000 Ga\n0.210597 0.178420 0.500000 Ga\n0.789403 0.821580 0.500000 Ga\n0.772620 0.542764 0.500000 Ga\n0.227380 0.457236 0.500000 Ga\n0.727380 0.042764 0.500000 Ga\n0.272620 0.957236 0.500000 Ga\n0.542764 0.227380 0.500000 Ga\n0.457236 0.772620 0.500000 Ga\n0.042764 0.272620 0.500000 Ga\n0.957236 0.727380 0.500000 Ga\n0.218851 0.718851 0.000000 Co\n0.781149 0.281149 0.000000 Co\n0.281149 0.218851 0.000000 Co\n0.718851 0.781149 0.000000 Co\n0.963975 0.647640 0.000000 Co\n0.036025 0.352360 0.000000 Co\n0.536025 0.147640 0.000000 Co\n0.463975 0.852360 0.000000 Co\n0.647640 0.036025 0.000000 Co\n0.352360 0.963975 0.000000 Co\n0.147640 0.463975 0.000000 Co\n0.852360 0.536025 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Co\n",
"nsites": 68,
"nelements": 3,
"elements": [
"Tb",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Tb",
"density": 8.13995834133265,
"density_atomic": 0.05888769058741147,
"volume": 1154.7404783867764,
"volume_molar": 10.22648485605133,
"formula_full": "Tb12 Ga42 Co14",
"formula_reduced": "Tb6(Ga3Co)7",
"formula_anonymous": "A6B7C21",
"energy": -315.3115261,
"energy_per_atom": -4.636934207352941,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -315.3115261,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9163323,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.340000Z",
"spacegroup": 127
},
{
"id": "mp-1188114",
"created_at": "2022-09-04T14:45:08.206458Z",
"structure_string": "Tb12 Ga2 Ni4\n1.0\n-4.657729 -4.785453 5.002005\n-4.657729 4.785453 -5.002005\n4.657729 -4.785453 -5.002005\nTb Ga Ni\n12 2 4\ndirect\n0.696626 0.266108 0.962734 Tb\n0.303374 0.733892 0.037266 Tb\n0.696626 0.733892 0.430519 Tb\n0.303374 0.266108 0.569481 Tb\n0.807807 0.130055 0.322248 Tb\n0.807807 0.485560 0.677752 Tb\n0.192193 0.869945 0.677752 Tb\n0.192193 0.514440 0.322248 Tb\n0.603816 0.786250 0.817566 Tb\n0.968683 0.786250 0.182434 Tb\n0.031317 0.213750 0.817566 Tb\n0.396184 0.213750 0.182434 Tb\n0.500000 0.500000 0.000000 Ga\n0.500000 0.000000 0.500000 Ga\n0.856251 0.500000 0.356251 Ni\n0.143749 0.500000 0.643749 Ni\n0.000000 0.120904 0.120904 Ni\n0.000000 0.879096 0.879096 Ni\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Tb",
"Ga",
"Ni"
],
"chemical_system": "Ga-Ni-Tb",
"density": 8.494437872148174,
"density_atomic": 0.04036185525679979,
"volume": 445.9656248573342,
"volume_molar": 14.920376483401231,
"formula_full": "Tb12 Ga2 Ni4",
"formula_reduced": "Tb6GaNi2",
"formula_anonymous": "AB2C6",
"energy": -90.9720502,
"energy_per_atom": -5.054002788888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.9720502,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2473462,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:50.343000Z",
"spacegroup": 71
},
{
"id": "mp-1188624",
"created_at": "2022-09-04T14:46:41.547354Z",
"structure_string": "Tb12 Ga2 Co4\n1.0\n-4.650714 4.823903 4.946228\n4.650714 -4.823903 4.946228\n4.650714 4.823903 -4.946228\nTb Ga Co\n12 2 4\ndirect\n0.037836 0.736149 0.301687 Tb\n0.962164 0.263851 0.698313 Tb\n0.565537 0.263851 0.301687 Tb\n0.434463 0.736149 0.698313 Tb\n0.674264 0.863377 0.189113 Tb\n0.325736 0.514849 0.189113 Tb\n0.325736 0.136623 0.810887 Tb\n0.674264 0.485151 0.810887 Tb\n0.180790 0.218000 0.398790 Tb\n0.819210 0.218000 0.037210 Tb\n0.180790 0.782000 0.962790 Tb\n0.819210 0.782000 0.601210 Tb\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.659174 0.500000 0.159174 Co\n0.340826 0.500000 0.840826 Co\n0.885934 0.885934 0.000000 Co\n0.114066 0.114066 0.000000 Co\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Tb",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Tb",
"density": 8.538198882934447,
"density_atomic": 0.04055273809640165,
"volume": 443.8664525490373,
"volume_molar": 14.850145866067574,
"formula_full": "Tb12 Ga2 Co4",
"formula_reduced": "Tb6GaCo2",
"formula_anonymous": "AB2C6",
"energy": -95.04563954,
"energy_per_atom": -5.280313307777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -95.04563954,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.009637,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:43.664000Z",
"spacegroup": 71
},
{
"id": "mp-5965",
"created_at": "2022-09-04T14:40:13.516809Z",
"structure_string": "Tb12 Ga20 O48\n1.0\n-6.221661 6.221661 6.221661\n6.221661 -6.221661 6.221661\n6.221661 6.221661 -6.221661\nTb Ga O\n12 20 48\ndirect\n0.875000 0.750000 0.625000 Tb\n0.875000 0.625000 0.250000 Tb\n0.625000 0.875000 0.750000 Tb\n0.250000 0.875000 0.625000 Tb\n0.750000 0.625000 0.875000 Tb\n0.625000 0.250000 0.875000 Tb\n0.125000 0.250000 0.375000 Tb\n0.125000 0.375000 0.750000 Tb\n0.375000 0.125000 0.250000 Tb\n0.750000 0.125000 0.375000 Tb\n0.250000 0.375000 0.125000 Tb\n0.375000 0.750000 0.125000 Tb\n0.125000 0.750000 0.875000 Ga\n0.875000 0.250000 0.125000 Ga\n0.750000 0.375000 0.625000 Ga\n0.125000 0.875000 0.250000 Ga\n0.250000 0.125000 0.875000 Ga\n0.375000 0.625000 0.750000 Ga\n0.375000 0.250000 0.625000 Ga\n0.875000 0.125000 0.750000 Ga\n0.625000 0.375000 0.250000 Ga\n0.750000 0.875000 0.125000 Ga\n0.250000 0.625000 0.375000 Ga\n0.625000 0.750000 0.375000 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.500000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.500000 0.000000 0.000000 Ga\n0.582615 0.905093 0.377053 O\n0.377053 0.582615 0.905093 O\n0.294438 0.322478 0.917385 O\n0.471960 0.594907 0.177522 O\n0.322478 0.905093 0.028040 O\n0.122947 0.028040 0.205562 O\n0.377053 0.294438 0.471960 O\n0.905093 0.377053 0.582615 O\n0.177522 0.205562 0.582615 O\n0.471960 0.377053 0.294438 O\n0.905093 0.028040 0.322478 O\n0.594907 0.917385 0.122947 O\n0.917385 0.122947 0.594907 O\n0.294438 0.471960 0.377053 O\n0.582615 0.177522 0.205562 O\n0.205562 0.582615 0.177522 O\n0.028040 0.322478 0.905093 O\n0.917385 0.294438 0.322478 O\n0.028040 0.205562 0.122947 O\n0.822478 0.794438 0.417385 O\n0.177522 0.471960 0.594907 O\n0.594907 0.177522 0.471960 O\n0.205562 0.122947 0.028040 O\n0.122947 0.594907 0.917385 O\n0.417385 0.094907 0.622947 O\n0.622947 0.417385 0.094907 O\n0.705562 0.677522 0.082615 O\n0.528040 0.405093 0.822478 O\n0.677522 0.094907 0.971960 O\n0.877053 0.971960 0.794438 O\n0.622947 0.705562 0.528040 O\n0.094907 0.622947 0.417385 O\n0.877053 0.405093 0.082615 O\n0.794438 0.877053 0.971960 O\n0.405093 0.822478 0.528040 O\n0.677522 0.082615 0.705562 O\n0.822478 0.528040 0.405093 O\n0.971960 0.794438 0.877053 O\n0.082615 0.705562 0.677522 O\n0.971960 0.677522 0.094907 O\n0.794438 0.417385 0.822478 O\n0.417385 0.822478 0.794438 O\n0.705562 0.528040 0.622947 O\n0.082615 0.877053 0.405093 O\n0.405093 0.082615 0.877053 O\n0.094907 0.971960 0.677522 O\n0.528040 0.622947 0.705562 O\n0.322478 0.917385 0.294438 O\n",
"nsites": 80,
"nelements": 3,
"elements": [
"Tb",
"Ga",
"O"
],
"chemical_system": "Ga-O-Tb",
"density": 7.014793725364665,
"density_atomic": 0.08304451703476409,
"volume": 963.3387351329937,
"volume_molar": 7.251701828164057,
"formula_full": "Tb12 Ga20 O48",
"formula_reduced": "Tb3Ga5O12",
"formula_anonymous": "A3B5C12",
"energy": -591.27068909,
"energy_per_atom": -7.390883613625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -558.29468909,
"band_gap": 3.2791,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0141897,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51.349000Z",
"spacegroup": 230
},
{
"id": "mp-1197290",
"created_at": "2022-09-04T14:39:08.210018Z",
"structure_string": "Tb12 Ga20\n1.0\n6.137740 0.000000 0.000000\n0.000000 9.735035 0.000000\n0.000000 0.000000 11.499997\nTb Ga\n12 20\ndirect\n0.848879 0.750000 0.073614 Tb\n0.651121 0.750000 0.573614 Tb\n0.151121 0.250000 0.926386 Tb\n0.348879 0.250000 0.426386 Tb\n0.889548 0.509210 0.351959 Tb\n0.610452 0.990790 0.851959 Tb\n0.110452 0.009210 0.648041 Tb\n0.389548 0.490790 0.148041 Tb\n0.110452 0.490790 0.648041 Tb\n0.389548 0.009210 0.148041 Tb\n0.889548 0.990790 0.351959 Tb\n0.610452 0.509210 0.851959 Tb\n0.874811 0.053251 0.090916 Ga\n0.625189 0.446749 0.590916 Ga\n0.125189 0.553251 0.909084 Ga\n0.374811 0.946749 0.409084 Ga\n0.125189 0.946749 0.909084 Ga\n0.374811 0.553251 0.409084 Ga\n0.874811 0.446749 0.090916 Ga\n0.625189 0.053251 0.590916 Ga\n0.175971 0.750000 0.252093 Ga\n0.324029 0.750000 0.752093 Ga\n0.824029 0.250000 0.747907 Ga\n0.675971 0.250000 0.247907 Ga\n0.370467 0.750000 0.004820 Ga\n0.129533 0.750000 0.504820 Ga\n0.629533 0.250000 0.995180 Ga\n0.870467 0.250000 0.495180 Ga\n0.602102 0.750000 0.298829 Ga\n0.897898 0.750000 0.798829 Ga\n0.397898 0.250000 0.701171 Ga\n0.102102 0.250000 0.201171 Ga\n",
"nsites": 32,
"nelements": 2,
"elements": [
"Tb",
"Ga"
],
"chemical_system": "Ga-Tb",
"density": 7.9785709693421305,
"density_atomic": 0.04657000092999055,
"volume": 687.1376285370088,
"volume_molar": 12.93137350169519,
"formula_full": "Tb12 Ga20",
"formula_reduced": "Tb3Ga5",
"formula_anonymous": "A3B5",
"energy": -137.38248869,
"energy_per_atom": -4.2932027715625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -137.38248869,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0068722,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:45.854000Z",
"spacegroup": 62
},
{
"id": "mp-19710",
"created_at": "2022-09-04T14:40:03.776418Z",
"structure_string": "Tb12 Fe20 O48\n1.0\n-6.286274 6.286274 6.286274\n6.286274 -6.286274 6.286274\n6.286274 6.286274 -6.286274\nTb Fe O\n12 20 48\ndirect\n0.625000 0.250000 0.875000 Tb\n0.250000 0.875000 0.625000 Tb\n0.625000 0.875000 0.750000 Tb\n0.375000 0.750000 0.125000 Tb\n0.750000 0.125000 0.375000 Tb\n0.375000 0.125000 0.250000 Tb\n0.125000 0.250000 0.375000 Tb\n0.250000 0.375000 0.125000 Tb\n0.125000 0.375000 0.750000 Tb\n0.875000 0.750000 0.625000 Tb\n0.750000 0.625000 0.875000 Tb\n0.875000 0.625000 0.250000 Tb\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.375000 0.250000 0.625000 Fe\n0.250000 0.625000 0.375000 Fe\n0.875000 0.125000 0.750000 Fe\n0.625000 0.750000 0.375000 Fe\n0.750000 0.375000 0.625000 Fe\n0.125000 0.875000 0.250000 Fe\n0.125000 0.750000 0.875000 Fe\n0.750000 0.875000 0.125000 Fe\n0.625000 0.375000 0.250000 Fe\n0.875000 0.250000 0.125000 Fe\n0.250000 0.125000 0.875000 Fe\n0.375000 0.625000 0.750000 Fe\n0.405511 0.083302 0.877411 O\n0.416698 0.822209 0.794109 O\n0.677791 0.094489 0.971900 O\n0.594489 0.916698 0.122589 O\n0.583302 0.177791 0.205891 O\n0.322209 0.905511 0.028100 O\n0.528100 0.405511 0.822209 O\n0.094489 0.622589 0.416698 O\n0.877411 0.971900 0.794109 O\n0.471900 0.594489 0.177791 O\n0.905511 0.377411 0.583302 O\n0.122589 0.028100 0.205891 O\n0.822209 0.528100 0.405511 O\n0.971900 0.794109 0.877411 O\n0.705891 0.677791 0.083302 O\n0.177791 0.471900 0.594489 O\n0.028100 0.205891 0.122589 O\n0.294109 0.322209 0.916698 O\n0.794109 0.877411 0.971900 O\n0.622589 0.416698 0.094489 O\n0.083302 0.705891 0.677791 O\n0.205891 0.122589 0.028100 O\n0.377411 0.583302 0.905511 O\n0.916698 0.294109 0.322209 O\n0.677791 0.083302 0.705891 O\n0.416698 0.094489 0.622589 O\n0.405511 0.822209 0.528100 O\n0.322209 0.916698 0.294109 O\n0.583302 0.905511 0.377411 O\n0.594489 0.177791 0.471900 O\n0.877411 0.405511 0.083302 O\n0.094489 0.971900 0.677791 O\n0.528100 0.622589 0.705891 O\n0.122589 0.594489 0.916698 O\n0.905511 0.028100 0.322209 O\n0.471900 0.377411 0.294109 O\n0.705891 0.528100 0.622589 O\n0.971900 0.677791 0.094489 O\n0.822209 0.794109 0.416698 O\n0.294109 0.471900 0.377411 O\n0.028100 0.322209 0.905511 O\n0.177791 0.205891 0.583302 O\n0.083302 0.877411 0.405511 O\n0.622589 0.705891 0.528100 O\n0.794109 0.416698 0.822209 O\n0.916698 0.122589 0.594489 O\n0.377411 0.294109 0.471900 O\n0.205891 0.583302 0.177791 O\n",
"nsites": 80,
"nelements": 3,
"elements": [
"Tb",
"Fe",
"O"
],
"chemical_system": "Fe-O-Tb",
"density": 6.336868534336372,
"density_atomic": 0.0805100461455026,
"volume": 993.6648136484631,
"volume_molar": 7.479986720062767,
"formula_full": "Tb12 Fe20 O48",
"formula_reduced": "Tb3Fe5O12",
"formula_anonymous": "A3B5C12",
"energy": -665.94171491,
"energy_per_atom": -8.324271436375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -587.84571491,
"band_gap": 1.7775000000000003,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 99.9864973,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:47.302000Z",
"spacegroup": 230
}
]
}