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_anonymous&page=102",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=100",
"results": [
{
"id": "mp-1218949",
"created_at": "2022-09-04T14:45:25.105373Z",
"structure_string": "Sr14 Hg51\n1.0\n7.086250 -12.273746 0.000000\n7.086250 12.273746 0.000000\n0.000000 0.000000 10.372580\nSr Hg\n14 51\ndirect\n0.798401 0.992284 0.500000 Sr\n0.193883 0.201599 0.500000 Sr\n0.007716 0.806117 0.500000 Sr\n0.865644 0.340266 0.500000 Sr\n0.474622 0.134356 0.500000 Sr\n0.659734 0.525378 0.500000 Sr\n0.448350 0.392934 0.000000 Sr\n0.944584 0.551650 0.000000 Sr\n0.607066 0.055416 0.000000 Sr\n0.216746 0.947960 0.000000 Sr\n0.731214 0.783254 0.000000 Sr\n0.052040 0.268786 0.000000 Sr\n0.333333 0.666667 0.691643 Sr\n0.333333 0.666667 0.308357 Sr\n0.825889 0.045714 0.852735 Hg\n0.219825 0.174111 0.852735 Hg\n0.954286 0.780175 0.852735 Hg\n0.838825 0.286379 0.853348 Hg\n0.447555 0.161175 0.853348 Hg\n0.713621 0.552445 0.853348 Hg\n0.838825 0.286379 0.146652 Hg\n0.447555 0.161175 0.146652 Hg\n0.713621 0.552445 0.146652 Hg\n0.825889 0.045714 0.147265 Hg\n0.219825 0.174111 0.147265 Hg\n0.954286 0.780175 0.147265 Hg\n0.389577 0.487619 0.500000 Hg\n0.098042 0.610423 0.500000 Hg\n0.512381 0.901958 0.500000 Hg\n0.276859 0.843339 0.500000 Hg\n0.566480 0.723141 0.500000 Hg\n0.156661 0.433520 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.666667 0.333333 0.000000 Hg\n0.438608 0.328040 0.664124 Hg\n0.889431 0.561392 0.664124 Hg\n0.671960 0.110569 0.664124 Hg\n0.226417 0.002620 0.663808 Hg\n0.776204 0.773583 0.663808 Hg\n0.997380 0.223796 0.663808 Hg\n0.226417 0.002620 0.336192 Hg\n0.776204 0.773583 0.336192 Hg\n0.997380 0.223796 0.336192 Hg\n0.438608 0.328040 0.335876 Hg\n0.889431 0.561392 0.335876 Hg\n0.671960 0.110569 0.335876 Hg\n0.527320 0.589658 0.771189 Hg\n0.062338 0.472680 0.771189 Hg\n0.410342 0.937662 0.771189 Hg\n0.141504 0.741190 0.776096 Hg\n0.599686 0.858496 0.776096 Hg\n0.258810 0.400314 0.776096 Hg\n0.141504 0.741190 0.223904 Hg\n0.599686 0.858496 0.223904 Hg\n0.258810 0.400314 0.223904 Hg\n0.527320 0.589658 0.228811 Hg\n0.062338 0.472680 0.228811 Hg\n0.410342 0.937662 0.228811 Hg\n0.000000 0.000000 0.688021 Hg\n0.666667 0.333333 0.692326 Hg\n0.666667 0.333333 0.307674 Hg\n0.000000 0.000000 0.311979 Hg\n0.461892 0.683509 0.000000 Hg\n0.221618 0.538108 0.000000 Hg\n0.316491 0.778382 0.000000 Hg\n",
"nsites": 65,
"nelements": 2,
"elements": [
"Sr",
"Hg"
],
"chemical_system": "Hg-Sr",
"density": 10.543890856675631,
"density_atomic": 0.036024915135154593,
"volume": 1804.306818104627,
"volume_molar": 16.71659943515966,
"formula_full": "Sr14 Hg51",
"formula_reduced": "Sr14Hg51",
"formula_anonymous": "A14B51",
"energy": -62.3157323,
"energy_per_atom": -0.9587035738461539,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.3157323,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.47e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.149000Z",
"spacegroup": 174
},
{
"id": "mp-1219378",
"created_at": "2022-09-04T14:39:30.491343Z",
"structure_string": "Sm14 Ag51\n1.0\n6.476518 -11.217659 0.000000\n6.476518 11.217659 0.000000\n0.000000 0.000000 9.483138\nSm Ag\n14 51\ndirect\n0.337905 0.865936 0.500000 Sm\n0.134064 0.471969 0.500000 Sm\n0.528031 0.662095 0.500000 Sm\n0.995022 0.802059 0.500000 Sm\n0.197941 0.192962 0.500000 Sm\n0.807038 0.004978 0.500000 Sm\n0.938347 0.220312 0.000000 Sm\n0.779688 0.718035 0.000000 Sm\n0.281965 0.061653 0.000000 Sm\n0.383385 0.451665 0.000000 Sm\n0.548335 0.931720 0.000000 Sm\n0.068280 0.616615 0.000000 Sm\n0.666667 0.333333 0.306881 Sm\n0.666667 0.333333 0.693119 Sm\n0.289119 0.840090 0.153044 Ag\n0.159910 0.449029 0.153044 Ag\n0.550971 0.710881 0.153044 Ag\n0.046469 0.829746 0.152174 Ag\n0.170254 0.216723 0.152174 Ag\n0.783277 0.953531 0.152174 Ag\n0.046469 0.829746 0.847826 Ag\n0.170254 0.216723 0.847826 Ag\n0.783277 0.953531 0.847826 Ag\n0.289119 0.840090 0.846956 Ag\n0.159910 0.449029 0.846956 Ag\n0.550971 0.710881 0.846956 Ag\n0.845536 0.274833 0.500000 Ag\n0.725167 0.570703 0.500000 Ag\n0.429297 0.154464 0.500000 Ag\n0.487530 0.392684 0.500000 Ag\n0.607316 0.094846 0.500000 Ag\n0.905154 0.512470 0.500000 Ag\n0.333333 0.666667 0.000000 Ag\n0.000000 0.000000 0.000000 Ag\n0.999752 0.228127 0.331599 Ag\n0.771873 0.771625 0.331599 Ag\n0.228375 0.000248 0.331599 Ag\n0.332575 0.438689 0.332491 Ag\n0.561311 0.893887 0.332491 Ag\n0.106113 0.667425 0.332491 Ag\n0.332575 0.438689 0.667509 Ag\n0.561311 0.893887 0.667509 Ag\n0.106113 0.667425 0.667509 Ag\n0.999752 0.228127 0.668401 Ag\n0.771873 0.771625 0.668401 Ag\n0.228375 0.000248 0.668401 Ag\n0.742415 0.139831 0.239744 Ag\n0.860169 0.602584 0.239744 Ag\n0.397416 0.257585 0.239744 Ag\n0.592180 0.523916 0.233826 Ag\n0.476084 0.068264 0.233826 Ag\n0.931736 0.407820 0.233826 Ag\n0.592180 0.523916 0.766174 Ag\n0.476084 0.068264 0.766174 Ag\n0.931736 0.407820 0.766174 Ag\n0.742415 0.139831 0.760256 Ag\n0.860169 0.602584 0.760256 Ag\n0.397416 0.257585 0.760256 Ag\n0.333333 0.666667 0.300219 Ag\n0.000000 0.000000 0.299425 Ag\n0.000000 0.000000 0.700575 Ag\n0.333333 0.666667 0.699781 Ag\n0.648000 0.199145 0.000000 Ag\n0.800855 0.448854 0.000000 Ag\n0.551146 0.352000 0.000000 Ag\n",
"nsites": 65,
"nelements": 2,
"elements": [
"Sm",
"Ag"
],
"chemical_system": "Ag-Sm",
"density": 9.166376890410577,
"density_atomic": 0.047172346461946554,
"volume": 1377.9259433794507,
"volume_molar": 12.766252289056679,
"formula_full": "Sm14 Ag51",
"formula_reduced": "Sm14Ag51",
"formula_anonymous": "A14B51",
"energy": -225.77383139,
"energy_per_atom": -3.473443559846154,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -225.77383139,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0659704,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.790000Z",
"spacegroup": 174
},
{
"id": "mp-1227899",
"created_at": "2022-09-04T14:44:09.844219Z",
"structure_string": "Ca14 Hg51\n1.0\n6.884407 -11.924143 0.000000\n6.884407 11.924143 0.000000\n0.000000 0.000000 10.259896\nCa Hg\n14 51\ndirect\n0.004570 0.198156 0.500000 Ca\n0.801844 0.806414 0.500000 Ca\n0.193586 0.995430 0.500000 Ca\n0.663317 0.137300 0.500000 Ca\n0.862700 0.526017 0.500000 Ca\n0.473983 0.336683 0.500000 Ca\n0.608523 0.552162 0.000000 Ca\n0.447838 0.056360 0.000000 Ca\n0.943640 0.391477 0.000000 Ca\n0.052511 0.781867 0.000000 Ca\n0.218133 0.270644 0.000000 Ca\n0.729356 0.947489 0.000000 Ca\n0.333333 0.666667 0.307854 Ca\n0.333333 0.666667 0.692146 Ca\n0.955576 0.174705 0.146290 Hg\n0.825295 0.780870 0.146290 Hg\n0.219130 0.044424 0.146290 Hg\n0.712840 0.160089 0.145680 Hg\n0.839911 0.552750 0.145680 Hg\n0.447250 0.287160 0.145680 Hg\n0.712840 0.160089 0.854320 Hg\n0.839911 0.552750 0.854320 Hg\n0.447250 0.287160 0.854320 Hg\n0.955576 0.174705 0.853710 Hg\n0.825295 0.780870 0.853710 Hg\n0.219130 0.044424 0.853710 Hg\n0.512095 0.608775 0.500000 Hg\n0.391225 0.903320 0.500000 Hg\n0.096680 0.487905 0.500000 Hg\n0.156857 0.724671 0.500000 Hg\n0.275329 0.432186 0.500000 Hg\n0.567814 0.843143 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.666667 0.333333 0.000000 Hg\n0.673301 0.560919 0.337747 Hg\n0.439081 0.112383 0.337747 Hg\n0.887617 0.326699 0.337747 Hg\n0.995970 0.773767 0.337386 Hg\n0.226233 0.222204 0.337386 Hg\n0.777796 0.004030 0.337386 Hg\n0.995970 0.773767 0.662614 Hg\n0.226233 0.222204 0.662614 Hg\n0.777796 0.004030 0.662614 Hg\n0.673301 0.560919 0.662253 Hg\n0.439081 0.112383 0.662253 Hg\n0.887617 0.326699 0.662253 Hg\n0.412459 0.475871 0.227810 Hg\n0.524129 0.936588 0.227810 Hg\n0.063412 0.587541 0.227810 Hg\n0.259312 0.856956 0.223444 Hg\n0.143044 0.402356 0.223444 Hg\n0.597644 0.740688 0.223444 Hg\n0.259312 0.856956 0.776556 Hg\n0.143044 0.402356 0.776556 Hg\n0.597644 0.740688 0.776556 Hg\n0.412459 0.475871 0.772190 Hg\n0.524129 0.936588 0.772190 Hg\n0.063412 0.587541 0.772190 Hg\n0.000000 0.000000 0.319728 Hg\n0.666667 0.333333 0.316702 Hg\n0.666667 0.333333 0.683298 Hg\n0.000000 0.000000 0.680272 Hg\n0.314366 0.534567 0.000000 Hg\n0.465433 0.779799 0.000000 Hg\n0.220201 0.685634 0.000000 Hg\n",
"nsites": 65,
"nelements": 2,
"elements": [
"Ca",
"Hg"
],
"chemical_system": "Ca-Hg",
"density": 10.637790848427937,
"density_atomic": 0.03858750415517727,
"volume": 1684.4831357479486,
"volume_molar": 15.606453155877439,
"formula_full": "Ca14 Hg51",
"formula_reduced": "Ca14Hg51",
"formula_anonymous": "A14B51",
"energy": -63.15986163,
"energy_per_atom": -0.971690178923077,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.15986163,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003488,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.059000Z",
"spacegroup": 174
},
{
"id": "mp-1216297",
"created_at": "2022-09-04T14:39:29.291537Z",
"structure_string": "Yb14 Hg51\n1.0\n6.854035 -11.871536 0.000000\n6.854035 11.871536 0.000000\n0.000000 0.000000 10.205075\nYb Hg\n14 51\ndirect\n0.796658 0.991706 0.500000 Yb\n0.195047 0.203342 0.500000 Yb\n0.008294 0.804953 0.500000 Yb\n0.867058 0.338719 0.500000 Yb\n0.471661 0.132942 0.500000 Yb\n0.661281 0.528339 0.500000 Yb\n0.449701 0.389263 0.000000 Yb\n0.939563 0.550299 0.000000 Yb\n0.610737 0.060437 0.000000 Yb\n0.217147 0.951848 0.000000 Yb\n0.734702 0.782853 0.000000 Yb\n0.048152 0.265298 0.000000 Yb\n0.333333 0.666667 0.686952 Yb\n0.333333 0.666667 0.313048 Yb\n0.825174 0.043224 0.852431 Hg\n0.218051 0.174826 0.852431 Hg\n0.956776 0.781949 0.852431 Hg\n0.838342 0.286518 0.853802 Hg\n0.448176 0.161658 0.853802 Hg\n0.713482 0.551824 0.853802 Hg\n0.838342 0.286518 0.146198 Hg\n0.448176 0.161658 0.146198 Hg\n0.713482 0.551824 0.146198 Hg\n0.825174 0.043224 0.147569 Hg\n0.218051 0.174826 0.147569 Hg\n0.956776 0.781949 0.147569 Hg\n0.436497 0.322692 0.657824 Hg\n0.886195 0.563503 0.657824 Hg\n0.677308 0.113805 0.657824 Hg\n0.227763 0.005632 0.659493 Hg\n0.777869 0.772237 0.659493 Hg\n0.994368 0.222131 0.659493 Hg\n0.227763 0.005632 0.340507 Hg\n0.777869 0.772237 0.340507 Hg\n0.994368 0.222131 0.340507 Hg\n0.436497 0.322692 0.342176 Hg\n0.886195 0.563503 0.342176 Hg\n0.677308 0.113805 0.342176 Hg\n0.387592 0.484944 0.500000 Hg\n0.097352 0.612408 0.500000 Hg\n0.515056 0.902648 0.500000 Hg\n0.278887 0.844284 0.500000 Hg\n0.565397 0.721113 0.500000 Hg\n0.155716 0.434603 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.666667 0.333333 0.000000 Hg\n0.521701 0.582784 0.773743 Hg\n0.061083 0.478299 0.773743 Hg\n0.417216 0.938917 0.773743 Hg\n0.145534 0.742002 0.783113 Hg\n0.596469 0.854466 0.783113 Hg\n0.257998 0.403531 0.783113 Hg\n0.145534 0.742002 0.216887 Hg\n0.596469 0.854466 0.216887 Hg\n0.257998 0.403531 0.216887 Hg\n0.521701 0.582784 0.226257 Hg\n0.061083 0.478299 0.226257 Hg\n0.417216 0.938917 0.226257 Hg\n0.000000 0.000000 0.667862 Hg\n0.666667 0.333333 0.671048 Hg\n0.666667 0.333333 0.328952 Hg\n0.000000 0.000000 0.332138 Hg\n0.466064 0.684271 0.000000 Hg\n0.218207 0.533936 0.000000 Hg\n0.315729 0.781793 0.000000 Hg\n",
"nsites": 65,
"nelements": 2,
"elements": [
"Yb",
"Hg"
],
"chemical_system": "Hg-Yb",
"density": 12.651183761343859,
"density_atomic": 0.03913937880329335,
"volume": 1660.731518675269,
"volume_molar": 15.386398415432366,
"formula_full": "Yb14 Hg51",
"formula_reduced": "Yb14Hg51",
"formula_anonymous": "A14B51",
"energy": -59.39755749,
"energy_per_atom": -0.9138085767692308,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -59.39755749,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027118,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.198000Z",
"spacegroup": 174
},
{
"id": "mp-1224563",
"created_at": "2022-09-04T14:43:34.608254Z",
"structure_string": "Ho14 Ag51\n1.0\n6.368370 -11.030341 0.000000\n6.368370 11.030341 0.000000\n0.000000 0.000000 9.384828\nHo Ag\n14 51\ndirect\n0.134252 0.661696 0.500000 Ho\n0.527444 0.865748 0.500000 Ho\n0.338304 0.472556 0.500000 Ho\n0.198460 0.005215 0.500000 Ho\n0.806754 0.801540 0.500000 Ho\n0.994785 0.193246 0.500000 Ho\n0.780219 0.059166 0.000000 Ho\n0.278947 0.219781 0.000000 Ho\n0.940834 0.721053 0.000000 Ho\n0.550782 0.614451 0.000000 Ho\n0.063669 0.449218 0.000000 Ho\n0.385549 0.936331 0.000000 Ho\n0.666667 0.333333 0.691985 Ho\n0.666667 0.333333 0.308015 Ho\n0.770713 0.998044 0.667042 Ag\n0.227331 0.229287 0.667042 Ag\n0.001956 0.772669 0.667042 Ag\n0.562175 0.669024 0.666793 Ag\n0.106849 0.437825 0.666793 Ag\n0.330976 0.893151 0.666793 Ag\n0.562175 0.669024 0.333207 Ag\n0.106849 0.437825 0.333207 Ag\n0.330976 0.893151 0.333207 Ag\n0.770713 0.998044 0.332958 Ag\n0.227331 0.229287 0.332958 Ag\n0.001956 0.772669 0.332958 Ag\n0.159768 0.711089 0.848072 Ag\n0.551321 0.840232 0.848072 Ag\n0.288911 0.448679 0.848072 Ag\n0.171595 0.954053 0.848713 Ag\n0.782458 0.828405 0.848713 Ag\n0.045947 0.217542 0.848713 Ag\n0.171595 0.954053 0.151287 Ag\n0.782458 0.828405 0.151287 Ag\n0.045947 0.217542 0.151287 Ag\n0.159768 0.711089 0.151928 Ag\n0.551321 0.840232 0.151928 Ag\n0.288911 0.448679 0.151928 Ag\n0.726314 0.154859 0.500000 Ag\n0.428546 0.273686 0.500000 Ag\n0.845141 0.571454 0.500000 Ag\n0.606235 0.511495 0.500000 Ag\n0.905260 0.393765 0.500000 Ag\n0.488505 0.094740 0.500000 Ag\n0.333333 0.666667 0.000000 Ag\n0.000000 0.000000 0.000000 Ag\n0.858281 0.255694 0.760172 Ag\n0.397413 0.141719 0.760172 Ag\n0.744306 0.602587 0.760172 Ag\n0.477725 0.407921 0.768652 Ag\n0.930197 0.522275 0.768652 Ag\n0.592079 0.069803 0.768652 Ag\n0.477725 0.407921 0.231348 Ag\n0.930197 0.522275 0.231348 Ag\n0.592079 0.069803 0.231348 Ag\n0.858281 0.255694 0.239828 Ag\n0.397413 0.141719 0.239828 Ag\n0.744306 0.602587 0.239828 Ag\n0.333333 0.666667 0.696700 Ag\n0.000000 0.000000 0.696980 Ag\n0.000000 0.000000 0.303020 Ag\n0.333333 0.666667 0.303300 Ag\n0.796667 0.341490 0.000000 Ag\n0.544823 0.203333 0.000000 Ag\n0.658510 0.455177 0.000000 Ag\n",
"nsites": 65,
"nelements": 2,
"elements": [
"Ho",
"Ag"
],
"chemical_system": "Ag-Ho",
"density": 9.836564013240249,
"density_atomic": 0.04929919376302629,
"volume": 1318.479979864277,
"volume_molar": 12.215495427668682,
"formula_full": "Ho14 Ag51",
"formula_reduced": "Ho14Ag51",
"formula_anonymous": "A14B51",
"energy": -224.16232658,
"energy_per_atom": -3.4486511781538463,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -224.16232658,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.4652404,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.666000Z",
"spacegroup": 174
},
{
"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-1224756",
"created_at": "2022-09-04T14:40:36.336710Z",
"structure_string": "Hf14 Cu51\n1.0\n5.559029 -9.628521 0.000000\n5.559029 9.628521 0.000000\n0.000000 0.000000 8.279583\nHf Cu\n14 51\ndirect\n0.000000 0.000000 0.313044 Hf\n0.000000 0.000000 0.686956 Hf\n0.385106 0.270913 0.000000 Hf\n0.729087 0.114193 0.000000 Hf\n0.885807 0.614894 0.000000 Hf\n0.607573 0.723146 0.000000 Hf\n0.276854 0.884426 0.000000 Hf\n0.115574 0.392427 0.000000 Hf\n0.142008 0.672143 0.500000 Hf\n0.327857 0.469865 0.500000 Hf\n0.530135 0.857992 0.500000 Hf\n0.856179 0.329054 0.500000 Hf\n0.670946 0.527125 0.500000 Hf\n0.472875 0.143821 0.500000 Hf\n0.238894 0.181075 0.500000 Cu\n0.818925 0.057819 0.500000 Cu\n0.942181 0.761106 0.500000 Cu\n0.759971 0.819572 0.500000 Cu\n0.180428 0.940399 0.500000 Cu\n0.059601 0.240029 0.500000 Cu\n0.271076 0.076149 0.246252 Cu\n0.923851 0.194927 0.246252 Cu\n0.805073 0.728924 0.246252 Cu\n0.739143 0.927191 0.231576 Cu\n0.072809 0.811952 0.231576 Cu\n0.188048 0.260857 0.231576 Cu\n0.739143 0.927191 0.768424 Cu\n0.072809 0.811952 0.768424 Cu\n0.188048 0.260857 0.768424 Cu\n0.271076 0.076149 0.753748 Cu\n0.923851 0.194927 0.753748 Cu\n0.805073 0.728924 0.753748 Cu\n0.333333 0.666667 0.000000 Cu\n0.666667 0.333333 0.000000 Cu\n0.437093 0.333484 0.329609 Cu\n0.666516 0.103609 0.329609 Cu\n0.896391 0.562907 0.329609 Cu\n0.560824 0.665192 0.330064 Cu\n0.334808 0.895632 0.330064 Cu\n0.104368 0.439176 0.330064 Cu\n0.560824 0.665192 0.669936 Cu\n0.334808 0.895632 0.669936 Cu\n0.104368 0.439176 0.669936 Cu\n0.437093 0.333484 0.670391 Cu\n0.666516 0.103609 0.670391 Cu\n0.896391 0.562907 0.670391 Cu\n0.333333 0.666667 0.294772 Cu\n0.666667 0.333333 0.294623 Cu\n0.666667 0.333333 0.705377 Cu\n0.333333 0.666667 0.705228 Cu\n0.115000 0.621822 0.152058 Cu\n0.378178 0.493178 0.152058 Cu\n0.506822 0.885000 0.152058 Cu\n0.884233 0.380698 0.152059 Cu\n0.619302 0.503535 0.152059 Cu\n0.496465 0.115767 0.152059 Cu\n0.884233 0.380698 0.847941 Cu\n0.619302 0.503535 0.847941 Cu\n0.496465 0.115767 0.847941 Cu\n0.115000 0.621822 0.847942 Cu\n0.378178 0.493178 0.847942 Cu\n0.506822 0.885000 0.847942 Cu\n0.133386 0.018623 0.000000 Cu\n0.981377 0.114763 0.000000 Cu\n0.885237 0.866614 0.000000 Cu\n",
"nsites": 65,
"nelements": 2,
"elements": [
"Hf",
"Cu"
],
"chemical_system": "Cu-Hf",
"density": 10.753300035415698,
"density_atomic": 0.07333585763035147,
"volume": 886.3331267990583,
"volume_molar": 8.211727461284397,
"formula_full": "Hf14 Cu51",
"formula_reduced": "Hf14Cu51",
"formula_anonymous": "A14B51",
"energy": -358.58470252,
"energy_per_atom": -5.516687731076924,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -358.58470252,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.3629855,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.995000Z",
"spacegroup": 174
},
{
"id": "mp-1216441",
"created_at": "2022-09-04T14:43:06.627554Z",
"structure_string": "Zr14 Cu51\n1.0\n5.633702 -9.757859 0.000000\n5.633702 9.757859 0.000000\n0.000000 0.000000 8.337365\nZr Cu\n14 51\ndirect\n0.333333 0.666667 0.688649 Zr\n0.333333 0.666667 0.311351 Zr\n0.447481 0.396351 0.000000 Zr\n0.948870 0.552519 0.000000 Zr\n0.603649 0.051130 0.000000 Zr\n0.218471 0.944133 0.000000 Zr\n0.725661 0.781529 0.000000 Zr\n0.055867 0.274339 0.000000 Zr\n0.802912 0.993361 0.500000 Zr\n0.190449 0.197088 0.500000 Zr\n0.006639 0.809551 0.500000 Zr\n0.860418 0.337797 0.500000 Zr\n0.477379 0.139582 0.500000 Zr\n0.662203 0.522621 0.500000 Zr\n0.390959 0.485042 0.500000 Cu\n0.094083 0.609041 0.500000 Cu\n0.514958 0.905917 0.500000 Cu\n0.273571 0.847694 0.500000 Cu\n0.574123 0.726429 0.500000 Cu\n0.152306 0.425877 0.500000 Cu\n0.528819 0.591083 0.753951 Cu\n0.062264 0.471181 0.753951 Cu\n0.408917 0.937736 0.753951 Cu\n0.144795 0.738922 0.768029 Cu\n0.594127 0.855205 0.768029 Cu\n0.261078 0.405873 0.768029 Cu\n0.144795 0.738922 0.231971 Cu\n0.594127 0.855205 0.231971 Cu\n0.261078 0.405873 0.231971 Cu\n0.528819 0.591083 0.246049 Cu\n0.062264 0.471181 0.246049 Cu\n0.408917 0.937736 0.246049 Cu\n0.000000 0.000000 0.000000 Cu\n0.666667 0.333333 0.000000 Cu\n0.436810 0.333754 0.671042 Cu\n0.896944 0.563190 0.671042 Cu\n0.666246 0.103056 0.671042 Cu\n0.228633 0.000944 0.670558 Cu\n0.772311 0.771367 0.670558 Cu\n0.999056 0.227689 0.670558 Cu\n0.228633 0.000944 0.329442 Cu\n0.772311 0.771367 0.329442 Cu\n0.999056 0.227689 0.329442 Cu\n0.436810 0.333754 0.328958 Cu\n0.896944 0.563190 0.328958 Cu\n0.666246 0.103056 0.328958 Cu\n0.000000 0.000000 0.707193 Cu\n0.666667 0.333333 0.707600 Cu\n0.666667 0.333333 0.292400 Cu\n0.000000 0.000000 0.292807 Cu\n0.826402 0.044564 0.847101 Cu\n0.218163 0.173598 0.847101 Cu\n0.955436 0.781837 0.847101 Cu\n0.836129 0.285253 0.847786 Cu\n0.449124 0.163871 0.847786 Cu\n0.714747 0.550876 0.847786 Cu\n0.836129 0.285253 0.152214 Cu\n0.449124 0.163871 0.152214 Cu\n0.714747 0.550876 0.152214 Cu\n0.826402 0.044564 0.152899 Cu\n0.218163 0.173598 0.152899 Cu\n0.955436 0.781837 0.152899 Cu\n0.449097 0.649052 0.000000 Cu\n0.199955 0.550903 0.000000 Cu\n0.350948 0.800045 0.000000 Cu\n",
"nsites": 65,
"nelements": 2,
"elements": [
"Zr",
"Cu"
],
"chemical_system": "Cu-Zr",
"density": 8.184391094835927,
"density_atomic": 0.07090977984477666,
"volume": 916.6577606401639,
"volume_molar": 8.492680097417622,
"formula_full": "Zr14 Cu51",
"formula_reduced": "Zr14Cu51",
"formula_anonymous": "A14B51",
"energy": -339.33104602,
"energy_per_atom": -5.220477631076923,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -339.33104602,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.4924658,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.653000Z",
"spacegroup": 174
},
{
"id": "mp-1223670",
"created_at": "2022-09-04T14:48:07.947972Z",
"structure_string": "La14 Au51\n1.0\n6.545351 -11.336880 0.000000\n6.545351 11.336880 0.000000\n0.000000 0.000000 9.561317\nLa Au\n14 51\ndirect\n0.466997 0.327047 0.500000 La\n0.860050 0.533003 0.500000 La\n0.672953 0.139950 0.500000 La\n0.532468 0.672905 0.500000 La\n0.140437 0.467532 0.500000 La\n0.327095 0.859563 0.500000 La\n0.113691 0.727008 0.000000 La\n0.613317 0.886309 0.000000 La\n0.272992 0.386683 0.000000 La\n0.883688 0.279681 0.000000 La\n0.395994 0.116312 0.000000 La\n0.720319 0.604006 0.000000 La\n0.000000 0.000000 0.699258 La\n0.000000 0.000000 0.300742 La\n0.493819 0.378426 0.847627 Au\n0.884607 0.506181 0.847627 Au\n0.621574 0.115393 0.847627 Au\n0.504756 0.620907 0.848575 Au\n0.116152 0.495244 0.848575 Au\n0.379093 0.883848 0.848575 Au\n0.504756 0.620907 0.151425 Au\n0.116152 0.495244 0.151425 Au\n0.379093 0.883848 0.151425 Au\n0.493819 0.378426 0.152373 Au\n0.884607 0.506181 0.152373 Au\n0.621574 0.115393 0.152373 Au\n0.666667 0.333333 0.000000 Au\n0.333333 0.666667 0.000000 Au\n0.105721 0.666010 0.668176 Au\n0.560289 0.894279 0.668176 Au\n0.333990 0.439711 0.668176 Au\n0.894121 0.334504 0.667474 Au\n0.440383 0.105879 0.667474 Au\n0.665496 0.559617 0.667474 Au\n0.894121 0.334504 0.332526 Au\n0.440383 0.105879 0.332526 Au\n0.665496 0.559617 0.332526 Au\n0.105721 0.666010 0.331824 Au\n0.560289 0.894279 0.331824 Au\n0.333990 0.439711 0.331824 Au\n0.193407 0.925115 0.763222 Au\n0.731708 0.806593 0.763222 Au\n0.074885 0.268292 0.763222 Au\n0.806522 0.073211 0.765709 Au\n0.266689 0.193478 0.765709 Au\n0.926789 0.733311 0.765709 Au\n0.806522 0.073211 0.234291 Au\n0.266689 0.193478 0.234291 Au\n0.926789 0.733311 0.234291 Au\n0.193407 0.925115 0.236778 Au\n0.731708 0.806593 0.236778 Au\n0.074885 0.268292 0.236778 Au\n0.666667 0.333333 0.699891 Au\n0.333333 0.666667 0.699729 Au\n0.333333 0.666667 0.300271 Au\n0.666667 0.333333 0.300109 Au\n0.066341 0.826655 0.500000 Au\n0.760314 0.933659 0.500000 Au\n0.173345 0.239686 0.500000 Au\n0.933317 0.173657 0.500000 Au\n0.240340 0.066683 0.500000 Au\n0.826343 0.759660 0.500000 Au\n0.134331 0.021037 0.000000 Au\n0.886705 0.865669 0.000000 Au\n0.978963 0.113295 0.000000 Au\n",
"nsites": 65,
"nelements": 2,
"elements": [
"La",
"Au"
],
"chemical_system": "Au-La",
"density": 14.03114292039231,
"density_atomic": 0.045807770322194186,
"volume": 1418.9732340783032,
"volume_molar": 13.146548538910727,
"formula_full": "La14 Au51",
"formula_reduced": "La14Au51",
"formula_anonymous": "A14B51",
"energy": -279.19239788,
"energy_per_atom": -4.295267659692308,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -279.19239788,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1372911,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.368000Z",
"spacegroup": 174
},
{
"id": "mp-1217580",
"created_at": "2022-09-04T14:44:26.987976Z",
"structure_string": "Th14 Au51\n1.0\n6.508992 -11.273905 0.000000\n6.508992 11.273905 0.000000\n0.000000 0.000000 9.401704\nTh Au\n14 51\ndirect\n0.666667 0.333333 0.703147 Th\n0.666667 0.333333 0.296853 Th\n0.390486 0.946292 0.000000 Th\n0.555806 0.609514 0.000000 Th\n0.053708 0.444194 0.000000 Th\n0.953416 0.733908 0.000000 Th\n0.780491 0.046584 0.000000 Th\n0.266092 0.219509 0.000000 Th\n0.988901 0.189546 0.500000 Th\n0.200645 0.011099 0.500000 Th\n0.810454 0.799355 0.500000 Th\n0.343850 0.476652 0.500000 Th\n0.132802 0.656150 0.500000 Th\n0.523348 0.867198 0.500000 Th\n0.042244 0.216611 0.847568 Au\n0.174367 0.957756 0.847568 Au\n0.783389 0.825633 0.847568 Au\n0.289055 0.451369 0.848163 Au\n0.162313 0.710945 0.848163 Au\n0.548631 0.837687 0.848163 Au\n0.289055 0.451369 0.151837 Au\n0.162313 0.710945 0.151837 Au\n0.548631 0.837687 0.151837 Au\n0.042244 0.216611 0.152432 Au\n0.174367 0.957756 0.152432 Au\n0.783389 0.825633 0.152432 Au\n0.327633 0.891293 0.663628 Au\n0.563660 0.672367 0.663628 Au\n0.108707 0.436340 0.663628 Au\n0.006977 0.776693 0.663583 Au\n0.769716 0.993023 0.663583 Au\n0.223307 0.230284 0.663583 Au\n0.006977 0.776693 0.336417 Au\n0.769716 0.993023 0.336417 Au\n0.223307 0.230284 0.336417 Au\n0.327633 0.891293 0.336372 Au\n0.563660 0.672367 0.336372 Au\n0.108707 0.436340 0.336372 Au\n0.000000 0.000000 0.000000 Au\n0.333333 0.666667 0.000000 Au\n0.000000 0.000000 0.689457 Au\n0.333333 0.666667 0.688640 Au\n0.333333 0.666667 0.311360 Au\n0.000000 0.000000 0.310543 Au\n0.858392 0.259255 0.771993 Au\n0.400863 0.141608 0.771993 Au\n0.740745 0.599137 0.771993 Au\n0.474973 0.411659 0.768859 Au\n0.936686 0.525027 0.768859 Au\n0.588341 0.063314 0.768859 Au\n0.474973 0.411659 0.231141 Au\n0.936686 0.525027 0.231141 Au\n0.588341 0.063314 0.231141 Au\n0.858392 0.259255 0.228007 Au\n0.400863 0.141608 0.228007 Au\n0.740745 0.599137 0.228007 Au\n0.487057 0.096394 0.500000 Au\n0.609338 0.512943 0.500000 Au\n0.903606 0.390662 0.500000 Au\n0.846893 0.571373 0.500000 Au\n0.724480 0.153107 0.500000 Au\n0.428627 0.275520 0.500000 Au\n0.696453 0.226113 0.000000 Au\n0.529660 0.303547 0.000000 Au\n0.773887 0.470340 0.000000 Au\n",
"nsites": 65,
"nelements": 2,
"elements": [
"Th",
"Au"
],
"chemical_system": "Au-Th",
"density": 15.998323342109796,
"density_atomic": 0.047107350489619164,
"volume": 1379.8271251600906,
"volume_molar": 12.783866418738775,
"formula_full": "Th14 Au51",
"formula_reduced": "Th14Au51",
"formula_anonymous": "A14B51",
"energy": -311.18731215,
"energy_per_atom": -4.78749711,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -311.18731215,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.696801,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.696000Z",
"spacegroup": 174
},
{
"id": "mp-1225861",
"created_at": "2022-09-04T14:48:29.197791Z",
"structure_string": "Dy14 Au51\n1.0\n6.403694 -11.091524 0.000000\n6.403694 11.091524 0.000000\n0.000000 0.000000 9.264979\nDy Au\n14 51\ndirect\n0.805154 0.008957 0.500000 Dy\n0.991043 0.796197 0.500000 Dy\n0.203803 0.194846 0.500000 Dy\n0.526904 0.657486 0.500000 Dy\n0.342514 0.869418 0.500000 Dy\n0.130582 0.473096 0.500000 Dy\n0.052490 0.604812 0.000000 Dy\n0.395188 0.447678 0.000000 Dy\n0.552322 0.947510 0.000000 Dy\n0.265441 0.049328 0.000000 Dy\n0.950672 0.216113 0.000000 Dy\n0.783887 0.734559 0.000000 Dy\n0.666667 0.333333 0.300019 Dy\n0.666667 0.333333 0.699981 Dy\n0.782357 0.955652 0.152128 Au\n0.044348 0.826705 0.152128 Au\n0.173295 0.217643 0.152128 Au\n0.550071 0.713708 0.150760 Au\n0.286292 0.836362 0.150760 Au\n0.163638 0.449929 0.150760 Au\n0.550071 0.713708 0.849240 Au\n0.286292 0.836362 0.849240 Au\n0.163638 0.449929 0.849240 Au\n0.782357 0.955652 0.847872 Au\n0.044348 0.826705 0.847872 Au\n0.173295 0.217643 0.847872 Au\n0.000000 0.000000 0.000000 Au\n0.333333 0.666667 0.000000 Au\n0.109224 0.671529 0.337706 Au\n0.328471 0.437695 0.337706 Au\n0.562305 0.890776 0.337706 Au\n0.222658 0.994258 0.338104 Au\n0.005742 0.228400 0.338104 Au\n0.771600 0.777342 0.338104 Au\n0.222658 0.994258 0.661896 Au\n0.005742 0.228400 0.661896 Au\n0.771600 0.777342 0.661896 Au\n0.109224 0.671529 0.662294 Au\n0.328471 0.437695 0.662294 Au\n0.562305 0.890776 0.662294 Au\n0.938258 0.412103 0.234585 Au\n0.587897 0.526155 0.234585 Au\n0.473845 0.061742 0.234585 Au\n0.402260 0.261094 0.226309 Au\n0.738906 0.141167 0.226309 Au\n0.858833 0.597740 0.226309 Au\n0.402260 0.261094 0.773691 Au\n0.738906 0.141167 0.773691 Au\n0.858833 0.597740 0.773691 Au\n0.938258 0.412103 0.765415 Au\n0.587897 0.526155 0.765415 Au\n0.473845 0.061742 0.765415 Au\n0.000000 0.000000 0.316735 Au\n0.333333 0.666667 0.317416 Au\n0.333333 0.666667 0.682584 Au\n0.000000 0.000000 0.683265 Au\n0.903393 0.509314 0.500000 Au\n0.490686 0.394079 0.500000 Au\n0.605921 0.096607 0.500000 Au\n0.427439 0.156550 0.500000 Au\n0.843450 0.270889 0.500000 Au\n0.729111 0.572561 0.500000 Au\n0.780059 0.307992 0.000000 Au\n0.692008 0.472068 0.000000 Au\n0.527932 0.219941 0.000000 Au\n",
"nsites": 65,
"nelements": 2,
"elements": [
"Dy",
"Au"
],
"chemical_system": "Au-Dy",
"density": 15.544400442892979,
"density_atomic": 0.04938750963364207,
"volume": 1316.1222439068465,
"volume_molar": 12.193651400267816,
"formula_full": "Dy14 Au51",
"formula_reduced": "Dy14Au51",
"formula_anonymous": "A14B51",
"energy": -272.38731461,
"energy_per_atom": -4.190574070923077,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -272.38731461,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2916709,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:20.328000Z",
"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
}
]
}