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-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-1225847",
"created_at": "2022-09-04T14:45:40.814179Z",
"structure_string": "Dy14 Ag51\n1.0\n6.400601 -11.086167 0.000000\n6.400601 11.086167 0.000000\n0.000000 0.000000 9.395800\nDy Ag\n14 51\ndirect\n0.133808 0.470921 0.500000 Dy\n0.529079 0.662887 0.500000 Dy\n0.337113 0.866192 0.500000 Dy\n0.199229 0.194493 0.500000 Dy\n0.805507 0.004736 0.500000 Dy\n0.995264 0.800771 0.500000 Dy\n0.779533 0.719067 0.000000 Dy\n0.280933 0.060465 0.000000 Dy\n0.939535 0.220467 0.000000 Dy\n0.549374 0.933180 0.000000 Dy\n0.066820 0.616194 0.000000 Dy\n0.383806 0.450626 0.000000 Dy\n0.666667 0.333333 0.307193 Dy\n0.666667 0.333333 0.692807 Dy\n0.159865 0.448494 0.152310 Ag\n0.551506 0.711372 0.152310 Ag\n0.288628 0.840135 0.152310 Ag\n0.171271 0.217509 0.151835 Ag\n0.782491 0.953762 0.151835 Ag\n0.046238 0.828729 0.151835 Ag\n0.171271 0.217509 0.848165 Ag\n0.782491 0.953762 0.848165 Ag\n0.046238 0.828729 0.848165 Ag\n0.159865 0.448494 0.847690 Ag\n0.551506 0.711372 0.847690 Ag\n0.288628 0.840135 0.847690 Ag\n0.333333 0.666667 0.000000 Ag\n0.000000 0.000000 0.000000 Ag\n0.333333 0.666667 0.304460 Ag\n0.000000 0.000000 0.303888 Ag\n0.000000 0.000000 0.696112 Ag\n0.333333 0.666667 0.695540 Ag\n0.771975 0.772430 0.332623 Ag\n0.227570 0.999545 0.332623 Ag\n0.000455 0.228025 0.332623 Ag\n0.560970 0.893221 0.333235 Ag\n0.106779 0.667749 0.333235 Ag\n0.332251 0.439030 0.333235 Ag\n0.560970 0.893221 0.666765 Ag\n0.106779 0.667749 0.666765 Ag\n0.332251 0.439030 0.666765 Ag\n0.771975 0.772430 0.667377 Ag\n0.227570 0.999545 0.667377 Ag\n0.000455 0.228025 0.667377 Ag\n0.858687 0.601917 0.238308 Ag\n0.398083 0.256770 0.238308 Ag\n0.743230 0.141313 0.238308 Ag\n0.476534 0.069256 0.232268 Ag\n0.930744 0.407279 0.232268 Ag\n0.592721 0.523466 0.232268 Ag\n0.476534 0.069256 0.767732 Ag\n0.930744 0.407279 0.767732 Ag\n0.592721 0.523466 0.767732 Ag\n0.858687 0.601917 0.761692 Ag\n0.398083 0.256770 0.761692 Ag\n0.743230 0.141313 0.761692 Ag\n0.726403 0.571010 0.500000 Ag\n0.428990 0.155393 0.500000 Ag\n0.844607 0.273597 0.500000 Ag\n0.606210 0.094868 0.500000 Ag\n0.905132 0.511342 0.500000 Ag\n0.488658 0.393790 0.500000 Ag\n0.801864 0.448130 0.000000 Ag\n0.551870 0.353734 0.000000 Ag\n0.646266 0.198136 0.000000 Ag\n",
"nsites": 65,
"nelements": 2,
"elements": [
"Dy",
"Ag"
],
"chemical_system": "Ag-Dy",
"density": 9.684003903903037,
"density_atomic": 0.048746947508128864,
"volume": 1333.416825518374,
"volume_molar": 12.35388279234463,
"formula_full": "Dy14 Ag51",
"formula_reduced": "Dy14Ag51",
"formula_anonymous": "A14B51",
"energy": -224.78469114,
"energy_per_atom": -3.4582260175384616,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -224.78469114,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.3875302,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.911000Z",
"spacegroup": 174
},
{
"id": "mp-1220890",
"created_at": "2022-09-04T14:46:16.012077Z",
"structure_string": "Nd14 Au51\n1.0\n6.499202 -11.256947 0.000000\n6.499202 11.256947 0.000000\n0.000000 0.000000 9.446441\nNd Au\n14 51\ndirect\n0.192517 0.990462 0.500000 Nd\n0.009538 0.202055 0.500000 Nd\n0.797945 0.807483 0.500000 Nd\n0.475788 0.342399 0.500000 Nd\n0.657601 0.133389 0.500000 Nd\n0.866611 0.524212 0.500000 Nd\n0.949587 0.397327 0.000000 Nd\n0.602673 0.552261 0.000000 Nd\n0.447739 0.050413 0.000000 Nd\n0.734151 0.949353 0.000000 Nd\n0.050647 0.784799 0.000000 Nd\n0.215201 0.265849 0.000000 Nd\n0.333333 0.666667 0.297041 Nd\n0.333333 0.666667 0.702959 Nd\n0.000000 0.000000 0.000000 Au\n0.666667 0.333333 0.000000 Au\n0.892441 0.330988 0.334915 Au\n0.669012 0.561453 0.334915 Au\n0.438547 0.107559 0.334915 Au\n0.776293 0.004652 0.336388 Au\n0.995348 0.771640 0.336388 Au\n0.228360 0.223707 0.336388 Au\n0.776293 0.004652 0.663612 Au\n0.995348 0.771640 0.663612 Au\n0.228360 0.223707 0.663612 Au\n0.892441 0.330988 0.665085 Au\n0.669012 0.561453 0.665085 Au\n0.438547 0.107559 0.665085 Au\n0.218210 0.044633 0.152682 Au\n0.955367 0.173577 0.152682 Au\n0.826423 0.781790 0.152682 Au\n0.449775 0.285720 0.150453 Au\n0.714280 0.164055 0.150453 Au\n0.835945 0.550225 0.150453 Au\n0.449775 0.285720 0.849547 Au\n0.714280 0.164055 0.849547 Au\n0.835945 0.550225 0.849547 Au\n0.218210 0.044633 0.847318 Au\n0.955367 0.173577 0.847318 Au\n0.826423 0.781790 0.847318 Au\n0.062199 0.591170 0.236618 Au\n0.408830 0.471029 0.236618 Au\n0.528971 0.937801 0.236618 Au\n0.599101 0.739011 0.229297 Au\n0.260989 0.860091 0.229297 Au\n0.139909 0.400899 0.229297 Au\n0.599101 0.739011 0.770703 Au\n0.260989 0.860091 0.770703 Au\n0.139909 0.400899 0.770703 Au\n0.062199 0.591170 0.763382 Au\n0.408830 0.471029 0.763382 Au\n0.528971 0.937801 0.763382 Au\n0.000000 0.000000 0.305994 Au\n0.666667 0.333333 0.305876 Au\n0.666667 0.333333 0.694124 Au\n0.000000 0.000000 0.694006 Au\n0.095385 0.489023 0.500000 Au\n0.510977 0.606361 0.500000 Au\n0.393639 0.904615 0.500000 Au\n0.573015 0.845042 0.500000 Au\n0.154958 0.727973 0.500000 Au\n0.272027 0.426985 0.500000 Au\n0.220749 0.692320 0.000000 Au\n0.307680 0.528429 0.000000 Au\n0.471571 0.779251 0.000000 Au\n",
"nsites": 65,
"nelements": 2,
"elements": [
"Nd",
"Au"
],
"chemical_system": "Au-Nd",
"density": 14.49392950332645,
"density_atomic": 0.04702561542040881,
"volume": 1382.225398198413,
"volume_molar": 12.806086015381373,
"formula_full": "Nd14 Au51",
"formula_reduced": "Nd14Au51",
"formula_anonymous": "A14B51",
"energy": -274.96966399,
"energy_per_atom": -4.230302522923077,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -274.96966399,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1159207,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.988000Z",
"spacegroup": 174
},
{
"id": "mp-1217575",
"created_at": "2022-09-04T14:43:24.641331Z",
"structure_string": "Th14 Ag51\n1.0\n6.500336 -11.258912 0.000000\n6.500336 11.258912 0.000000\n0.000000 0.000000 9.523670\nTh Ag\n14 51\ndirect\n0.666667 0.333333 0.306048 Th\n0.666667 0.333333 0.693952 Th\n0.936234 0.223434 0.000000 Th\n0.776566 0.712800 0.000000 Th\n0.287200 0.063766 0.000000 Th\n0.380614 0.447483 0.000000 Th\n0.552517 0.933130 0.000000 Th\n0.066870 0.619386 0.000000 Th\n0.341505 0.862948 0.500000 Th\n0.137052 0.478557 0.500000 Th\n0.521443 0.658495 0.500000 Th\n0.993021 0.805532 0.500000 Th\n0.194468 0.187489 0.500000 Th\n0.812511 0.006979 0.500000 Th\n0.289651 0.841684 0.152944 Ag\n0.158316 0.447967 0.152944 Ag\n0.552033 0.710349 0.152944 Ag\n0.048224 0.831742 0.151125 Ag\n0.168258 0.216482 0.151125 Ag\n0.783518 0.951776 0.151125 Ag\n0.048224 0.831742 0.848875 Ag\n0.168258 0.216482 0.848875 Ag\n0.783518 0.951776 0.848875 Ag\n0.289651 0.841684 0.847056 Ag\n0.158316 0.447967 0.847056 Ag\n0.552033 0.710349 0.847056 Ag\n0.001549 0.231902 0.331063 Ag\n0.768098 0.769647 0.331063 Ag\n0.230353 0.998451 0.331063 Ag\n0.328188 0.434354 0.332092 Ag\n0.565646 0.893834 0.332092 Ag\n0.106166 0.671812 0.332092 Ag\n0.328188 0.434354 0.667908 Ag\n0.565646 0.893834 0.667908 Ag\n0.106166 0.671812 0.667908 Ag\n0.001549 0.231902 0.668937 Ag\n0.768098 0.769647 0.668937 Ag\n0.230353 0.998451 0.668937 Ag\n0.333333 0.666667 0.000000 Ag\n0.000000 0.000000 0.000000 Ag\n0.333333 0.666667 0.296113 Ag\n0.000000 0.000000 0.296310 Ag\n0.000000 0.000000 0.703690 Ag\n0.333333 0.666667 0.703887 Ag\n0.476569 0.067997 0.233728 Ag\n0.932003 0.408573 0.233728 Ag\n0.591427 0.523431 0.233728 Ag\n0.861525 0.602802 0.238586 Ag\n0.397198 0.258724 0.238586 Ag\n0.741276 0.138475 0.238586 Ag\n0.861525 0.602802 0.761414 Ag\n0.397198 0.258724 0.761414 Ag\n0.741276 0.138475 0.761414 Ag\n0.476569 0.067997 0.766272 Ag\n0.932003 0.408573 0.766272 Ag\n0.591427 0.523431 0.766272 Ag\n0.846326 0.274237 0.500000 Ag\n0.725763 0.572089 0.500000 Ag\n0.427911 0.153674 0.500000 Ag\n0.485883 0.393521 0.500000 Ag\n0.606479 0.092362 0.500000 Ag\n0.907638 0.514117 0.500000 Ag\n0.639130 0.197395 0.000000 Ag\n0.802605 0.441735 0.000000 Ag\n0.558265 0.360870 0.000000 Ag\n",
"nsites": 65,
"nelements": 2,
"elements": [
"Th",
"Ag"
],
"chemical_system": "Ag-Th",
"density": 10.422723268114808,
"density_atomic": 0.04662800045922319,
"volume": 1394.0121677926843,
"volume_molar": 12.915288454769668,
"formula_full": "Th14 Ag51",
"formula_reduced": "Th14Ag51",
"formula_anonymous": "A14B51",
"energy": -257.89883778,
"energy_per_atom": -3.9676744273846154,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -257.89883778,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0284274,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.185000Z",
"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-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-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-1225453",
"created_at": "2022-09-04T14:45:17.073946Z",
"structure_string": "Er14 Ag51\n1.0\n6.362387 -11.019978 0.000000\n6.362387 11.019978 0.000000\n0.000000 0.000000 9.349940\nEr Ag\n14 51\ndirect\n0.467331 0.329550 0.500000 Er\n0.862220 0.532669 0.500000 Er\n0.670450 0.137780 0.500000 Er\n0.532725 0.671652 0.500000 Er\n0.138927 0.467275 0.500000 Er\n0.328348 0.861073 0.500000 Er\n0.112879 0.727023 0.000000 Er\n0.614143 0.887121 0.000000 Er\n0.272977 0.385857 0.000000 Er\n0.883075 0.283426 0.000000 Er\n0.400351 0.116925 0.000000 Er\n0.716574 0.599649 0.000000 Er\n0.000000 0.000000 0.691621 Er\n0.000000 0.000000 0.308379 Er\n0.492761 0.377856 0.848223 Ag\n0.885095 0.507239 0.848223 Ag\n0.622144 0.114905 0.848223 Ag\n0.505134 0.620736 0.848739 Ag\n0.115602 0.494866 0.848739 Ag\n0.379264 0.884398 0.848739 Ag\n0.505134 0.620736 0.151261 Ag\n0.115602 0.494866 0.151261 Ag\n0.379264 0.884398 0.151261 Ag\n0.492761 0.377856 0.151777 Ag\n0.885095 0.507239 0.151777 Ag\n0.622144 0.114905 0.151777 Ag\n0.059371 0.821702 0.500000 Ag\n0.762331 0.940629 0.500000 Ag\n0.178298 0.237669 0.500000 Ag\n0.939806 0.178324 0.500000 Ag\n0.238518 0.060194 0.500000 Ag\n0.821676 0.761482 0.500000 Ag\n0.666667 0.333333 0.000000 Ag\n0.333333 0.666667 0.000000 Ag\n0.105069 0.665687 0.667128 Ag\n0.560618 0.894931 0.667128 Ag\n0.334313 0.439382 0.667128 Ag\n0.894403 0.334951 0.666624 Ag\n0.440548 0.105597 0.666624 Ag\n0.665049 0.559452 0.666624 Ag\n0.894403 0.334951 0.333376 Ag\n0.440548 0.105597 0.333376 Ag\n0.665049 0.559452 0.333376 Ag\n0.105069 0.665687 0.332872 Ag\n0.560618 0.894931 0.332872 Ag\n0.334313 0.439382 0.332872 Ag\n0.191400 0.922903 0.761750 Ag\n0.731503 0.808600 0.761750 Ag\n0.077097 0.268497 0.761750 Ag\n0.810502 0.074023 0.768252 Ag\n0.263521 0.189498 0.768252 Ag\n0.925977 0.736479 0.768252 Ag\n0.810502 0.074023 0.231748 Ag\n0.263521 0.189498 0.231748 Ag\n0.925977 0.736479 0.231748 Ag\n0.191400 0.922903 0.238250 Ag\n0.731503 0.808600 0.238250 Ag\n0.077097 0.268497 0.238250 Ag\n0.666667 0.333333 0.694591 Ag\n0.333333 0.666667 0.694790 Ag\n0.333333 0.666667 0.305210 Ag\n0.666667 0.333333 0.305409 Ag\n0.135450 0.020336 0.000000 Ag\n0.884886 0.864550 0.000000 Ag\n0.979664 0.115114 0.000000 Ag\n",
"nsites": 65,
"nelements": 2,
"elements": [
"Er",
"Ag"
],
"chemical_system": "Ag-Er",
"density": 9.933135926825262,
"density_atomic": 0.04957625619620276,
"volume": 1311.1115075482162,
"volume_molar": 12.14722777001717,
"formula_full": "Er14 Ag51",
"formula_reduced": "Er14Ag51",
"formula_anonymous": "A14B51",
"energy": -223.70295752,
"energy_per_atom": -3.441583961846154,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -223.70295752,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.4477651,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.535000Z",
"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-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-1220280",
"created_at": "2022-09-04T14:42:47.944849Z",
"structure_string": "Pr14 Au51\n1.0\n6.525441 -11.302394 0.000000\n6.525441 11.302394 0.000000\n0.000000 0.000000 9.482341\nPr Au\n14 51\ndirect\n0.131615 0.473205 0.500000 Pr\n0.526795 0.658410 0.500000 Pr\n0.341590 0.868385 0.500000 Pr\n0.199169 0.191938 0.500000 Pr\n0.808062 0.007230 0.500000 Pr\n0.992770 0.800831 0.500000 Pr\n0.782637 0.717521 0.000000 Pr\n0.282479 0.065116 0.000000 Pr\n0.934884 0.217363 0.000000 Pr\n0.547738 0.933117 0.000000 Pr\n0.066883 0.614621 0.000000 Pr\n0.385379 0.452262 0.000000 Pr\n0.666667 0.333333 0.297088 Pr\n0.666667 0.333333 0.702912 Pr\n0.729384 0.570992 0.500000 Au\n0.429008 0.158392 0.500000 Au\n0.841608 0.270616 0.500000 Au\n0.602820 0.093829 0.500000 Au\n0.906171 0.508991 0.500000 Au\n0.491009 0.397180 0.500000 Au\n0.160342 0.447901 0.153043 Au\n0.552099 0.712441 0.153043 Au\n0.287559 0.839658 0.153043 Au\n0.168319 0.217545 0.151007 Au\n0.782455 0.950774 0.151007 Au\n0.049226 0.831681 0.151007 Au\n0.168319 0.217545 0.848993 Au\n0.782455 0.950774 0.848993 Au\n0.049226 0.831681 0.848993 Au\n0.160342 0.447901 0.846957 Au\n0.552099 0.712441 0.846957 Au\n0.287559 0.839658 0.846957 Au\n0.333333 0.666667 0.000000 Au\n0.000000 0.000000 0.000000 Au\n0.773078 0.773392 0.334116 Au\n0.226608 0.999686 0.334116 Au\n0.000314 0.226922 0.334116 Au\n0.560365 0.890700 0.335863 Au\n0.109300 0.669664 0.335863 Au\n0.330336 0.439635 0.335863 Au\n0.560365 0.890700 0.664137 Au\n0.109300 0.669664 0.664137 Au\n0.330336 0.439635 0.664137 Au\n0.773078 0.773392 0.665884 Au\n0.226608 0.999686 0.665884 Au\n0.000314 0.226922 0.665884 Au\n0.864890 0.603994 0.236685 Au\n0.396006 0.260895 0.236685 Au\n0.739105 0.135110 0.236685 Au\n0.471288 0.067806 0.230248 Au\n0.932194 0.403482 0.230248 Au\n0.596518 0.528712 0.230248 Au\n0.471288 0.067806 0.769752 Au\n0.932194 0.403482 0.769752 Au\n0.596518 0.528712 0.769752 Au\n0.864890 0.603994 0.763315 Au\n0.396006 0.260895 0.763315 Au\n0.739105 0.135110 0.763315 Au\n0.333333 0.666667 0.303445 Au\n0.000000 0.000000 0.303545 Au\n0.000000 0.000000 0.696455 Au\n0.333333 0.666667 0.696555 Au\n0.804485 0.444319 0.000000 Au\n0.555681 0.360166 0.000000 Au\n0.639834 0.195515 0.000000 Au\n",
"nsites": 65,
"nelements": 2,
"elements": [
"Pr",
"Au"
],
"chemical_system": "Au-Pr",
"density": 14.267750257900254,
"density_atomic": 0.04647158463971767,
"volume": 1398.704186739669,
"volume_molar": 12.958759221765558,
"formula_full": "Pr14 Au51",
"formula_reduced": "Pr14Au51",
"formula_anonymous": "A14B51",
"energy": -274.93059643,
"energy_per_atom": -4.229701483538461,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -274.93059643,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1029549,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.779000Z",
"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
}
]
}