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=-chemical_system&page=12118",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=12116",
"results": [
{
"id": "mp-851575",
"created_at": "2022-09-04T14:42:24.720770Z",
"structure_string": "Ag8 B32 O52\n1.0\n7.898226 0.000000 0.000000\n0.001662 10.663953 0.000000\n0.001414 2.044047 11.864162\nAg B O\n8 32 52\ndirect\n0.915400 0.463992 0.862624 Ag\n0.914837 0.963908 0.637463 Ag\n0.617284 0.311647 0.609173 Ag\n0.610084 0.802107 0.928845 Ag\n0.389666 0.197690 0.072536 Ag\n0.389789 0.697689 0.428460 Ag\n0.085241 0.036165 0.362524 Ag\n0.085151 0.536153 0.137650 Ag\n0.995801 0.278254 0.340823 B\n0.995720 0.778279 0.159058 B\n0.862232 0.237359 0.585907 B\n0.875314 0.434727 0.405242 B\n0.862089 0.737718 0.914006 B\n0.760700 0.110808 0.081759 B\n0.875336 0.934746 0.094755 B\n0.703065 0.041794 0.510347 B\n0.760768 0.611001 0.418480 B\n0.672861 0.304967 0.051030 B\n0.703274 0.541761 0.989753 B\n0.602711 0.102225 0.893132 B\n0.672787 0.805024 0.449691 B\n0.602815 0.603585 0.606902 B\n0.558450 0.451778 0.186424 B\n0.441557 0.048175 0.685789 B\n0.558539 0.952067 0.313985 B\n0.441453 0.547991 0.814020 B\n0.397236 0.396675 0.393171 B\n0.327440 0.195590 0.549659 B\n0.397194 0.897079 0.107022 B\n0.296718 0.458381 0.010631 B\n0.327201 0.695370 0.949898 B\n0.239466 0.389258 0.581503 B\n0.296745 0.958511 0.489398 B\n0.124704 0.065268 0.905226 B\n0.239346 0.889303 0.918486 B\n0.137961 0.262328 0.085929 B\n0.124692 0.565212 0.594711 B\n0.138006 0.762379 0.414070 B\n0.004358 0.221723 0.841000 B\n0.004295 0.721787 0.659050 B\n0.941765 0.199604 0.463120 O\n0.963381 0.397535 0.311699 O\n0.915859 0.255751 0.755811 O\n0.846362 0.050551 0.140211 O\n0.941638 0.699663 0.036763 O\n0.963470 0.897595 0.188151 O\n0.915785 0.755727 0.744220 O\n0.829297 0.361942 0.536703 O\n0.846279 0.550404 0.359715 O\n0.756812 0.144960 0.598263 O\n0.755637 0.233312 0.121898 O\n0.828807 0.861862 0.963696 O\n0.677425 0.039790 0.980140 O\n0.733764 0.423844 0.972522 O\n0.756430 0.645144 0.902196 O\n0.755562 0.733283 0.378038 O\n0.611697 0.055370 0.407368 O\n0.677690 0.540505 0.520819 O\n0.733865 0.924062 0.526908 O\n0.602341 0.228841 0.915841 O\n0.592122 0.336162 0.179517 O\n0.611874 0.555394 0.092944 O\n0.529919 0.024283 0.787616 O\n0.601888 0.729492 0.583740 O\n0.592320 0.836300 0.319455 O\n0.530229 0.524743 0.712606 O\n0.470091 0.475238 0.287835 O\n0.407705 0.163741 0.680531 O\n0.397188 0.270572 0.415605 O\n0.470048 0.975415 0.212282 O\n0.388398 0.444658 0.907566 O\n0.407660 0.663643 0.819535 O\n0.397949 0.770871 0.083606 O\n0.266026 0.076054 0.473128 O\n0.322747 0.460188 0.480054 O\n0.388387 0.944732 0.592317 O\n0.244467 0.266877 0.621975 O\n0.243563 0.354854 0.097624 O\n0.266087 0.576140 0.026925 O\n0.322481 0.960057 0.020318 O\n0.171123 0.138114 0.036291 O\n0.244425 0.766764 0.878116 O\n0.243604 0.854757 0.402230 O\n0.153635 0.449557 0.640217 O\n0.171104 0.638110 0.463623 O\n0.084200 0.244295 0.255729 O\n0.036516 0.102404 0.811828 O\n0.058296 0.300337 0.963258 O\n0.153647 0.949472 0.859762 O\n0.084183 0.744246 0.244231 O\n0.036529 0.602442 0.688149 O\n0.058312 0.800337 0.536755 O\n",
"nsites": 92,
"nelements": 3,
"elements": [
"Ag",
"B",
"O"
],
"chemical_system": "Ag-B-O",
"density": 3.3913985190782046,
"density_atomic": 0.0920667855633579,
"volume": 999.27459655565,
"volume_molar": 6.541056824293842,
"formula_full": "Ag8 B32 O52",
"formula_reduced": "Ag2B8O13",
"formula_anonymous": "A2B8C13",
"energy": -611.00414264,
"energy_per_atom": -6.64134937652174,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -575.28014264,
"band_gap": 0.4140999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0054875,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.585000Z",
"spacegroup": 1
},
{
"id": "mp-1194638",
"created_at": "2022-09-04T14:46:29.123235Z",
"structure_string": "Ag12 B20 O36\n1.0\n6.821455 0.000000 0.000000\n0.000000 9.548782 0.000000\n0.000000 0.000000 11.151061\nAg B O\n12 20 36\ndirect\n0.815638 0.729731 0.771098 Ag\n0.684362 0.270269 0.271098 Ag\n0.315638 0.770269 0.228902 Ag\n0.184362 0.229731 0.728902 Ag\n0.564470 0.691145 0.987309 Ag\n0.935530 0.308855 0.487309 Ag\n0.064470 0.808855 0.012691 Ag\n0.435530 0.191145 0.512691 Ag\n0.028106 0.602650 0.574098 Ag\n0.471894 0.397350 0.074098 Ag\n0.528106 0.897350 0.425902 Ag\n0.971894 0.102650 0.925902 Ag\n0.527546 0.965648 0.734397 B\n0.972454 0.034352 0.234397 B\n0.027546 0.534352 0.265603 B\n0.472454 0.465648 0.765603 B\n0.297184 0.764255 0.783583 B\n0.202816 0.235745 0.283583 B\n0.797184 0.735745 0.216417 B\n0.702816 0.264255 0.716417 B\n0.851310 0.026660 0.623737 B\n0.648690 0.973340 0.123737 B\n0.351310 0.473340 0.376263 B\n0.148690 0.526660 0.876263 B\n0.797155 0.426477 0.883096 B\n0.702845 0.573523 0.383096 B\n0.297155 0.073523 0.116904 B\n0.202845 0.926477 0.616904 B\n0.497110 0.573520 0.568490 B\n0.002890 0.426480 0.068490 B\n0.997110 0.926480 0.431510 B\n0.502890 0.073520 0.931510 B\n0.941002 0.532151 0.840634 O\n0.558998 0.467849 0.340634 O\n0.441002 0.967849 0.159366 O\n0.058998 0.032151 0.659366 O\n0.670477 0.606879 0.511126 O\n0.829523 0.393121 0.011126 O\n0.170477 0.893121 0.488874 O\n0.329523 0.106879 0.988874 O\n0.455182 0.847927 0.810644 O\n0.044818 0.152073 0.310644 O\n0.955182 0.652073 0.189356 O\n0.544818 0.347927 0.689356 O\n0.733572 0.938930 0.703011 O\n0.766428 0.061070 0.203011 O\n0.233572 0.561070 0.296989 O\n0.266428 0.438930 0.796989 O\n0.734453 0.826077 0.123139 O\n0.765547 0.173923 0.623139 O\n0.234453 0.673923 0.876861 O\n0.265547 0.326077 0.376861 O\n0.339495 0.523392 0.503883 O\n0.160505 0.476608 0.003883 O\n0.839495 0.976608 0.496117 O\n0.660505 0.023392 0.996117 O\n0.487183 0.594871 0.691163 O\n0.012817 0.405129 0.191163 O\n0.987183 0.905129 0.308837 O\n0.512817 0.094871 0.808837 O\n0.177907 0.793544 0.686853 O\n0.322093 0.206456 0.186853 O\n0.677907 0.706456 0.313147 O\n0.822093 0.293544 0.813147 O\n0.403911 0.979944 0.626020 O\n0.096089 0.020056 0.126020 O\n0.903911 0.520056 0.373980 O\n0.596089 0.479944 0.873980 O\n",
"nsites": 68,
"nelements": 3,
"elements": [
"Ag",
"B",
"O"
],
"chemical_system": "Ag-B-O",
"density": 4.770354001578002,
"density_atomic": 0.0936198032723238,
"volume": 726.342051822089,
"volume_molar": 6.432550111735051,
"formula_full": "Ag12 B20 O36",
"formula_reduced": "Ag3B5O9",
"formula_anonymous": "A3B5C9",
"energy": -493.00622664,
"energy_per_atom": -7.250091568235295,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -468.27422664,
"band_gap": 1.8021,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022542,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:41.014000Z",
"spacegroup": 19
},
{
"id": "mp-559803",
"created_at": "2022-09-04T14:40:30.230702Z",
"structure_string": "Ag32 B32 O64\n1.0\n8.640504 0.000000 0.000000\n0.000000 8.765956 0.000000\n0.000000 0.000000 19.969765\nAg B O\n32 32 64\ndirect\n0.691813 0.239510 0.730732 Ag\n0.282284 0.132937 0.413955 Ag\n0.691813 0.760490 0.230732 Ag\n0.502907 0.792460 0.389359 Ag\n0.191813 0.260490 0.269268 Ag\n0.497093 0.792460 0.110641 Ag\n0.000000 0.465628 0.750000 Ag\n0.308187 0.239510 0.769268 Ag\n0.717716 0.867063 0.586045 Ag\n0.000000 0.000000 0.000000 Ag\n0.217716 0.632937 0.413955 Ag\n0.002907 0.292460 0.110641 Ag\n0.997093 0.707540 0.889359 Ag\n0.217716 0.367063 0.913955 Ag\n0.282284 0.867063 0.913955 Ag\n0.191813 0.739510 0.769268 Ag\n0.502907 0.207540 0.889359 Ag\n0.717716 0.132937 0.086045 Ag\n0.497093 0.207540 0.610641 Ag\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.500000 Ag\n0.782284 0.632937 0.086045 Ag\n0.782284 0.367063 0.586045 Ag\n0.000000 0.534372 0.250000 Ag\n0.500000 0.965628 0.750000 Ag\n0.002907 0.707540 0.610641 Ag\n0.500000 0.034372 0.250000 Ag\n0.997093 0.292460 0.389359 Ag\n0.500000 0.500000 0.000000 Ag\n0.308187 0.760490 0.269268 Ag\n0.808187 0.739510 0.730732 Ag\n0.808187 0.260490 0.230732 Ag\n0.888814 0.261341 0.867138 B\n0.323654 0.126929 0.023585 B\n0.443414 0.547227 0.826474 B\n0.281640 0.506416 0.133508 B\n0.676346 0.873071 0.976415 B\n0.676346 0.126929 0.476415 B\n0.323654 0.873071 0.523585 B\n0.718360 0.493584 0.866492 B\n0.888814 0.738659 0.367138 B\n0.176346 0.626929 0.023585 B\n0.611186 0.238659 0.367138 B\n0.056586 0.952773 0.326474 B\n0.388814 0.761341 0.632862 B\n0.943414 0.047227 0.673526 B\n0.443414 0.452773 0.326474 B\n0.781640 0.006416 0.366492 B\n0.823654 0.373071 0.976415 B\n0.611186 0.761341 0.867138 B\n0.388814 0.238659 0.132862 B\n0.556586 0.452773 0.173526 B\n0.218360 0.006416 0.133508 B\n0.056586 0.047227 0.826474 B\n0.176346 0.373071 0.523585 B\n0.111186 0.738659 0.132862 B\n0.218360 0.993584 0.633508 B\n0.781640 0.993584 0.866492 B\n0.556586 0.547227 0.673526 B\n0.111186 0.261341 0.632862 B\n0.718360 0.506416 0.366492 B\n0.823654 0.626929 0.476415 B\n0.281640 0.493584 0.633508 B\n0.943414 0.952773 0.173526 B\n0.677525 0.116052 0.544582 O\n0.677525 0.883948 0.044582 O\n0.241714 0.844513 0.143902 O\n0.741714 0.655487 0.856098 O\n0.287670 0.542876 0.058945 O\n0.787670 0.957124 0.941055 O\n0.803004 0.003755 0.194627 O\n0.924209 0.282769 0.940155 O\n0.565257 0.554396 0.339087 O\n0.712330 0.457124 0.941055 O\n0.347719 0.090799 0.162897 O\n0.803004 0.996245 0.694627 O\n0.469183 0.296977 0.335497 O\n0.847719 0.590799 0.337103 O\n0.196996 0.003755 0.305373 O\n0.212330 0.042876 0.058945 O\n0.152281 0.409201 0.662897 O\n0.787670 0.042876 0.441055 O\n0.434743 0.445604 0.660913 O\n0.303004 0.496245 0.805373 O\n0.065257 0.054396 0.160913 O\n0.424209 0.782769 0.559845 O\n0.347719 0.909201 0.662897 O\n0.575791 0.217231 0.440155 O\n0.822475 0.616052 0.544582 O\n0.287670 0.457124 0.558945 O\n0.530817 0.296977 0.164503 O\n0.196996 0.996245 0.805373 O\n0.075791 0.717231 0.059845 O\n0.934743 0.945604 0.839087 O\n0.030817 0.796977 0.335497 O\n0.241714 0.155487 0.643902 O\n0.652281 0.090799 0.337103 O\n0.758286 0.844513 0.356098 O\n0.530817 0.703023 0.664503 O\n0.303004 0.503755 0.305373 O\n0.434743 0.554396 0.160913 O\n0.565257 0.445604 0.839087 O\n0.322475 0.116052 0.955418 O\n0.934743 0.054396 0.339087 O\n0.030817 0.203023 0.835497 O\n0.177525 0.616052 0.955418 O\n0.258286 0.655487 0.643902 O\n0.696996 0.503755 0.194627 O\n0.212330 0.957124 0.558945 O\n0.177525 0.383948 0.455418 O\n0.575791 0.782769 0.940155 O\n0.065257 0.945604 0.660913 O\n0.712330 0.542876 0.441055 O\n0.652281 0.909201 0.837103 O\n0.822475 0.383948 0.044582 O\n0.758286 0.155487 0.856098 O\n0.741714 0.344513 0.356098 O\n0.696996 0.496245 0.694627 O\n0.847719 0.409201 0.837103 O\n0.258286 0.344513 0.143902 O\n0.424209 0.217231 0.059845 O\n0.969183 0.203023 0.664503 O\n0.469183 0.703023 0.835497 O\n0.152281 0.590799 0.162897 O\n0.075791 0.282769 0.559845 O\n0.322475 0.883948 0.455418 O\n0.969183 0.796977 0.164503 O\n0.924209 0.717231 0.440155 O\n",
"nsites": 128,
"nelements": 3,
"elements": [
"Ag",
"B",
"O"
],
"chemical_system": "Ag-B-O",
"density": 5.293435268272394,
"density_atomic": 0.08462499449289482,
"volume": 1512.5554898647229,
"volume_molar": 7.116267240059464,
"formula_full": "Ag32 B32 O64",
"formula_reduced": "AgBO2",
"formula_anonymous": "ABC2",
"energy": -862.4529827299999,
"energy_per_atom": -6.737913927578124,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -818.48498273,
"band_gap": 1.2098999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.8375904,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.524000Z",
"spacegroup": 60
},
{
"id": "mp-1194753",
"created_at": "2022-09-04T14:39:05.985027Z",
"structure_string": "Ag4 B12 O20\n1.0\n3.936234 0.000000 0.000000\n0.000000 8.396854 0.000000\n0.000000 0.000000 10.392312\nAg B O\n4 12 20\ndirect\n0.741746 0.408025 0.579547 Ag\n0.241746 0.591975 0.420453 Ag\n0.241746 0.908025 0.920453 Ag\n0.741746 0.091975 0.079547 Ag\n0.091498 0.247198 0.337565 B\n0.591498 0.752802 0.662435 B\n0.591498 0.747198 0.162435 B\n0.091498 0.252802 0.837565 B\n0.279711 0.960912 0.312700 B\n0.779711 0.039088 0.687300 B\n0.779711 0.460912 0.187300 B\n0.279711 0.539088 0.812700 B\n0.822148 0.899037 0.471059 B\n0.322148 0.100963 0.528941 B\n0.322148 0.399037 0.028941 B\n0.822148 0.600963 0.971059 B\n0.186932 0.245159 0.466521 O\n0.686932 0.754841 0.533479 O\n0.686932 0.745159 0.033479 O\n0.186932 0.254841 0.966521 O\n0.957552 0.390150 0.296206 O\n0.457552 0.609850 0.703794 O\n0.457552 0.890150 0.203794 O\n0.957552 0.109850 0.796206 O\n0.131803 0.112791 0.264848 O\n0.631803 0.887209 0.735152 O\n0.631803 0.612791 0.235152 O\n0.131803 0.387209 0.764848 O\n0.028158 0.855321 0.365435 O\n0.528158 0.144679 0.634565 O\n0.528158 0.355321 0.134565 O\n0.028158 0.644679 0.865435 O\n0.521151 0.007026 0.427422 O\n0.021151 0.992974 0.572578 O\n0.021151 0.507026 0.072578 O\n0.521151 0.492974 0.927422 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Ag",
"B",
"O"
],
"chemical_system": "Ag-B-O",
"density": 4.260007369645217,
"density_atomic": 0.10480760907150309,
"volume": 343.48651132228053,
"volume_molar": 5.745900334289186,
"formula_full": "Ag4 B12 O20",
"formula_reduced": "AgB3O5",
"formula_anonymous": "AB3C5",
"energy": -276.9181991,
"energy_per_atom": -7.692172197222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -263.1781991,
"band_gap": 2.3274000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:44.516000Z",
"spacegroup": 33
},
{
"id": "mp-27816",
"created_at": "2022-09-04T14:47:07.601558Z",
"structure_string": "Ag3 B1 O3\n1.0\n3.132063 -5.070279 0.000000\n3.132063 5.070279 0.000000\n-5.075861 0.000000 3.123008\nAg B O\n3 1 3\ndirect\n0.000000 0.509386 0.490614 Ag\n0.490614 0.000000 0.509386 Ag\n0.509386 0.490614 0.000000 Ag\n0.000000 0.000000 0.000000 B\n0.863468 0.000000 0.136532 O\n0.136532 0.863468 0.000000 O\n0.000000 0.136532 0.863468 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ag",
"B",
"O"
],
"chemical_system": "Ag-B-O",
"density": 6.402022767932245,
"density_atomic": 0.0705720284921081,
"volume": 99.18944020126604,
"volume_molar": 8.533325297108954,
"formula_full": "Ag3 B1 O3",
"formula_reduced": "Ag3BO3",
"formula_anonymous": "AB3C3",
"energy": -38.0952333,
"energy_per_atom": -5.442176185714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.0342333,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006357,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:57.615000Z",
"spacegroup": 155
},
{
"id": "mp-759792",
"created_at": "2022-09-04T14:40:36.584065Z",
"structure_string": "Ag8 B32 O52\n1.0\n7.898226 0.000000 0.000000\n0.001662 10.663953 0.000000\n0.001414 2.044047 11.864162\nAg B O\n8 32 52\ndirect\n0.137376 0.463992 0.084600 Ag\n0.362537 0.963908 0.085163 Ag\n0.390827 0.311647 0.382716 Ag\n0.071155 0.802107 0.389916 Ag\n0.927464 0.197690 0.610334 Ag\n0.571540 0.697689 0.610211 Ag\n0.637476 0.036165 0.914759 Ag\n0.862350 0.536153 0.914849 Ag\n0.659177 0.278254 0.004199 B\n0.840942 0.778279 0.004280 B\n0.414093 0.237359 0.137768 B\n0.594758 0.434727 0.124686 B\n0.085994 0.737718 0.137911 B\n0.918241 0.110808 0.239300 B\n0.905245 0.934746 0.124664 B\n0.489653 0.041794 0.296935 B\n0.581520 0.611001 0.239232 B\n0.948970 0.304967 0.327139 B\n0.010247 0.541761 0.296726 B\n0.106868 0.102225 0.397289 B\n0.550309 0.805024 0.327213 B\n0.393098 0.603585 0.397185 B\n0.813576 0.451778 0.441550 B\n0.314211 0.048175 0.558443 B\n0.686015 0.952067 0.441461 B\n0.185980 0.547991 0.558547 B\n0.606829 0.396675 0.602764 B\n0.450341 0.195590 0.672560 B\n0.892978 0.897079 0.602806 B\n0.989369 0.458381 0.703282 B\n0.050102 0.695370 0.672799 B\n0.418497 0.389258 0.760534 B\n0.510602 0.958511 0.703255 B\n0.094774 0.065268 0.875296 B\n0.081514 0.889303 0.760654 B\n0.914071 0.262328 0.862039 B\n0.405289 0.565212 0.875308 B\n0.585930 0.762379 0.861994 B\n0.159000 0.221723 0.995642 B\n0.340950 0.721787 0.995705 B\n0.536880 0.199604 0.058235 O\n0.688301 0.397535 0.036619 O\n0.244189 0.255751 0.084141 O\n0.859789 0.050551 0.153638 O\n0.963237 0.699663 0.058362 O\n0.811849 0.897595 0.036530 O\n0.255780 0.755727 0.084215 O\n0.463297 0.361942 0.170703 O\n0.640285 0.550404 0.153721 O\n0.401737 0.144960 0.243188 O\n0.878102 0.233312 0.244363 O\n0.036304 0.861862 0.171193 O\n0.019860 0.039790 0.322575 O\n0.027478 0.423844 0.266236 O\n0.097804 0.645144 0.243570 O\n0.621962 0.733283 0.244438 O\n0.592632 0.055370 0.388303 O\n0.479181 0.540505 0.322310 O\n0.473092 0.924062 0.266135 O\n0.084159 0.228841 0.397659 O\n0.820483 0.336162 0.407878 O\n0.907056 0.555394 0.388126 O\n0.212384 0.024283 0.470081 O\n0.416260 0.729492 0.398112 O\n0.680545 0.836300 0.407680 O\n0.287394 0.524743 0.469771 O\n0.712165 0.475238 0.529909 O\n0.319469 0.163741 0.592295 O\n0.584395 0.270572 0.602812 O\n0.787718 0.975415 0.529952 O\n0.092434 0.444658 0.611602 O\n0.180465 0.663643 0.592340 O\n0.916394 0.770871 0.602051 O\n0.526872 0.076054 0.733974 O\n0.519946 0.460188 0.677253 O\n0.407683 0.944732 0.611613 O\n0.378025 0.266877 0.755533 O\n0.902376 0.354854 0.756437 O\n0.973075 0.576140 0.733913 O\n0.979682 0.960057 0.677519 O\n0.963709 0.138115 0.828877 O\n0.121884 0.766764 0.755575 O\n0.597770 0.854757 0.756396 O\n0.359783 0.449557 0.846365 O\n0.536377 0.638110 0.828896 O\n0.744271 0.244295 0.915800 O\n0.188172 0.102404 0.963484 O\n0.036742 0.300337 0.941704 O\n0.140238 0.949472 0.846353 O\n0.755769 0.744246 0.915817 O\n0.311851 0.602442 0.963471 O\n0.463245 0.800337 0.941688 O\n",
"nsites": 92,
"nelements": 3,
"elements": [
"Ag",
"B",
"O"
],
"chemical_system": "Ag-B-O",
"density": 3.3913985190782046,
"density_atomic": 0.0920667855633579,
"volume": 999.27459655565,
"volume_molar": 6.541056824293842,
"formula_full": "Ag8 B32 O52",
"formula_reduced": "Ag2B8O13",
"formula_anonymous": "A2B8C13",
"energy": -723.69587663,
"energy_per_atom": -7.866259528586957,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -687.97187663,
"band_gap": 2.858,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014945,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.122000Z",
"spacegroup": 1
},
{
"id": "mp-554873",
"created_at": "2022-09-04T14:45:37.233678Z",
"structure_string": "Ag8 B32 O52\n1.0\n8.849248 0.000000 0.000000\n0.000000 6.702293 0.000000\n0.000000 0.016505 17.773539\nAg B O\n8 32 52\ndirect\n0.985833 0.926034 0.617336 Ag\n0.060697 0.469495 0.905424 Ag\n0.439303 0.469495 0.405424 Ag\n0.485833 0.073966 0.882664 Ag\n0.514167 0.926034 0.117336 Ag\n0.939303 0.530505 0.094576 Ag\n0.014167 0.073966 0.382664 Ag\n0.560697 0.530505 0.594576 Ag\n0.808280 0.026371 0.229941 B\n0.631578 0.996912 0.592237 B\n0.067561 0.978843 0.189994 B\n0.731400 0.231784 0.496079 B\n0.691720 0.026371 0.729941 B\n0.268600 0.768216 0.503921 B\n0.131578 0.003088 0.907763 B\n0.368422 0.003088 0.407763 B\n0.761955 0.534154 0.769991 B\n0.198265 0.465578 0.592434 B\n0.261955 0.465846 0.730009 B\n0.698265 0.534422 0.907566 B\n0.801735 0.534422 0.407566 B\n0.271622 0.127463 0.019667 B\n0.567561 0.021157 0.310006 B\n0.228378 0.127463 0.519667 B\n0.191720 0.973629 0.770059 B\n0.868422 0.996912 0.092237 B\n0.231400 0.768216 0.003921 B\n0.238045 0.465846 0.230009 B\n0.495827 0.515142 0.190747 B\n0.768600 0.231784 0.996079 B\n0.738045 0.534154 0.269991 B\n0.995827 0.484858 0.309253 B\n0.004173 0.515142 0.690747 B\n0.301735 0.465578 0.092434 B\n0.771622 0.872537 0.480333 B\n0.504173 0.484858 0.809253 B\n0.308280 0.973629 0.270059 B\n0.932439 0.021157 0.810006 B\n0.728378 0.872537 0.980333 B\n0.432439 0.978843 0.689994 B\n0.852843 0.535826 0.707071 O\n0.782771 0.048794 0.791785 O\n0.819866 0.835372 0.041412 O\n0.607031 0.533249 0.752480 O\n0.740614 0.000564 0.658281 O\n0.759386 0.000564 0.158281 O\n0.551310 0.453780 0.881219 O\n0.265853 0.580638 0.531750 O\n0.963402 0.031026 0.245920 O\n0.478200 0.952308 0.618146 O\n0.319866 0.164628 0.458588 O\n0.689580 0.535068 0.342458 O\n0.818639 0.073763 0.468120 O\n0.765853 0.419362 0.968250 O\n0.021800 0.952308 0.118146 O\n0.217229 0.951206 0.208215 O\n0.681361 0.073763 0.968120 O\n0.282771 0.951206 0.708215 O\n0.189580 0.464932 0.157542 O\n0.147157 0.464174 0.292929 O\n0.180134 0.164628 0.958588 O\n0.259386 0.999436 0.341719 O\n0.647157 0.535826 0.207071 O\n0.672513 0.741027 0.930573 O\n0.392969 0.466751 0.247520 O\n0.810420 0.535068 0.842458 O\n0.362734 0.806136 0.443894 O\n0.327487 0.258973 0.069427 O\n0.107031 0.466751 0.747520 O\n0.827487 0.741027 0.430573 O\n0.463402 0.968974 0.254080 O\n0.137266 0.806136 0.943894 O\n0.181361 0.926237 0.531880 O\n0.948690 0.453780 0.381219 O\n0.036598 0.968974 0.754080 O\n0.521800 0.047692 0.381854 O\n0.051310 0.546220 0.618781 O\n0.637266 0.193864 0.556106 O\n0.680134 0.835372 0.541412 O\n0.234147 0.580638 0.031750 O\n0.172513 0.258973 0.569427 O\n0.310420 0.464932 0.657542 O\n0.734147 0.419362 0.468250 O\n0.536598 0.031026 0.745920 O\n0.862734 0.193864 0.056106 O\n0.978200 0.047692 0.881854 O\n0.448690 0.546220 0.118781 O\n0.318639 0.926237 0.031880 O\n0.352843 0.464174 0.792929 O\n0.717229 0.048794 0.291785 O\n0.892969 0.533249 0.252480 O\n0.240614 0.999436 0.841719 O\n",
"nsites": 92,
"nelements": 3,
"elements": [
"Ag",
"B",
"O"
],
"chemical_system": "Ag-B-O",
"density": 3.2148446064341942,
"density_atomic": 0.08727385098951546,
"volume": 1054.1530934741531,
"volume_molar": 6.900280773359552,
"formula_full": "Ag8 B32 O52",
"formula_reduced": "Ag2B8O13",
"formula_anonymous": "A2B8C13",
"energy": -724.7583362,
"energy_per_atom": -7.877808002173913,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -689.0343362,
"band_gap": 3.2651,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008912,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:06.389000Z",
"spacegroup": 14
},
{
"id": "mp-561550",
"created_at": "2022-09-04T14:44:12.422567Z",
"structure_string": "Ag12 B4 O12\n1.0\n5.487920 -4.989531 0.000000\n5.487920 4.989531 0.000000\n0.951517 0.000000 7.355767\nAg B O\n12 4 12\ndirect\n0.874370 0.372016 0.380554 Ag\n0.374370 0.880554 0.872016 Ag\n0.880554 0.872016 0.374370 Ag\n0.627984 0.619446 0.125630 Ag\n0.127984 0.625630 0.119446 Ag\n0.380554 0.874370 0.372016 Ag\n0.619446 0.125630 0.627984 Ag\n0.125630 0.627984 0.619446 Ag\n0.625630 0.119446 0.127984 Ag\n0.872016 0.374370 0.880554 Ag\n0.119446 0.127984 0.625630 Ag\n0.372016 0.380554 0.874370 Ag\n0.624292 0.624292 0.624292 B\n0.375708 0.375708 0.375708 B\n0.124292 0.124292 0.124292 B\n0.875708 0.875708 0.875708 B\n0.130153 0.981809 0.259847 O\n0.981809 0.259847 0.130153 O\n0.630153 0.759847 0.481809 O\n0.369847 0.240153 0.518191 O\n0.018191 0.740153 0.869847 O\n0.240153 0.518191 0.369847 O\n0.759847 0.481809 0.630153 O\n0.740153 0.869847 0.018191 O\n0.518191 0.369847 0.240153 O\n0.869847 0.018191 0.740153 O\n0.481809 0.630153 0.759847 O\n0.259847 0.130153 0.981809 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ag",
"B",
"O"
],
"chemical_system": "Ag-B-O",
"density": 6.305465996175103,
"density_atomic": 0.06950764501604749,
"volume": 402.8333860762443,
"volume_molar": 8.663997692066314,
"formula_full": "Ag12 B4 O12",
"formula_reduced": "Ag3BO3",
"formula_anonymous": "AB3C3",
"energy": -153.8440594,
"energy_per_atom": -5.494430692857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -145.6000594,
"band_gap": 0.8717000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.5e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:30.667000Z",
"spacegroup": 167
},
{
"id": "mp-1247866",
"created_at": "2022-09-04T14:40:41.354879Z",
"structure_string": "Ag8 B32 O52\n1.0\n8.481365 0.000000 0.000000\n0.000000 10.539706 -2.038900\n0.000000 -0.029568 11.589333\nAg B O\n8 32 52\ndirect\n0.124464 0.814975 0.618486 Ag\n0.133171 0.461766 0.925060 Ag\n0.368108 0.961162 0.925947 Ag\n0.413797 0.305650 0.614773 Ag\n0.624464 0.685025 0.381514 Ag\n0.633171 0.038234 0.074940 Ag\n0.868108 0.538838 0.074053 Ag\n0.913797 0.194350 0.385227 Ag\n0.004096 0.540469 0.709758 B\n0.041555 0.697829 0.327788 B\n0.072346 0.891848 0.242882 B\n0.077519 0.740847 0.872049 B\n0.094236 0.065658 0.124542 B\n0.114332 0.106442 0.599965 B\n0.169703 0.219436 0.004312 B\n0.179137 0.552762 0.439933 B\n0.320446 0.052539 0.439721 B\n0.330549 0.719718 0.004727 B\n0.385876 0.604747 0.599485 B\n0.406259 0.566387 0.125301 B\n0.422963 0.241273 0.872626 B\n0.429127 0.391465 0.241917 B\n0.456361 0.197738 0.327625 B\n0.496423 0.040678 0.710251 B\n0.504096 0.959531 0.290242 B\n0.541555 0.802171 0.672212 B\n0.572346 0.608152 0.757118 B\n0.577519 0.759153 0.127951 B\n0.594236 0.434342 0.875458 B\n0.614332 0.393558 0.400035 B\n0.669703 0.280564 0.995688 B\n0.679137 0.947238 0.560067 B\n0.820446 0.447461 0.560279 B\n0.830549 0.780282 0.995273 B\n0.885876 0.895253 0.400515 B\n0.906259 0.933613 0.874699 B\n0.922963 0.258727 0.127374 B\n0.929126 0.108535 0.758083 B\n0.956361 0.302262 0.672375 B\n0.996423 0.459322 0.289749 B\n0.036147 0.042013 0.676636 O\n0.022061 0.423133 0.739725 O\n0.040384 0.291003 0.044768 O\n0.034493 0.863073 0.834774 O\n0.085607 0.230330 0.599186 O\n0.096671 0.447304 0.382041 O\n0.088371 0.642580 0.765056 O\n0.111262 0.770839 0.246006 O\n0.134577 0.953560 0.158476 O\n0.159858 0.670575 0.414589 O\n0.193080 0.102154 0.039529 O\n0.217750 0.029492 0.526206 O\n0.265771 0.261133 0.926843 O\n0.234761 0.761035 0.926833 O\n0.283672 0.528559 0.524682 O\n0.306951 0.602775 0.040419 O\n0.335905 0.169943 0.412771 O\n0.365451 0.454128 0.158792 O\n0.388407 0.270911 0.245341 O\n0.412817 0.143491 0.764947 O\n0.404304 0.947620 0.382987 O\n0.409160 0.730460 0.602700 O\n0.466332 0.363418 0.835075 O\n0.459837 0.791325 0.045261 O\n0.476889 0.923419 0.739810 O\n0.468613 0.540000 0.673734 O\n0.536147 0.457987 0.323364 O\n0.522061 0.076867 0.260275 O\n0.540384 0.208997 0.955232 O\n0.534493 0.636927 0.165226 O\n0.585607 0.269670 0.400814 O\n0.596671 0.052696 0.617959 O\n0.588371 0.857420 0.234944 O\n0.611262 0.729161 0.753994 O\n0.634577 0.546440 0.841524 O\n0.659858 0.829425 0.585411 O\n0.693080 0.397846 0.960471 O\n0.717750 0.470508 0.473794 O\n0.765771 0.238867 0.073157 O\n0.734761 0.738965 0.073167 O\n0.783672 0.971441 0.475318 O\n0.806951 0.897225 0.959581 O\n0.835905 0.330057 0.587229 O\n0.865451 0.045872 0.841208 O\n0.888407 0.229089 0.754659 O\n0.912817 0.356509 0.235053 O\n0.904304 0.552380 0.617013 O\n0.909160 0.769540 0.397300 O\n0.966332 0.136582 0.164925 O\n0.959837 0.708675 0.954739 O\n0.976889 0.576581 0.260190 O\n0.968613 0.960000 0.326266 O\n",
"nsites": 92,
"nelements": 3,
"elements": [
"Ag",
"B",
"O"
],
"chemical_system": "Ag-B-O",
"density": 3.2728445633339196,
"density_atomic": 0.08884838419890732,
"volume": 1035.4718414916479,
"volume_molar": 6.777996937477295,
"formula_full": "Ag8 B32 O52",
"formula_reduced": "Ag2B8O13",
"formula_anonymous": "A2B8C13",
"energy": -724.07643936,
"energy_per_atom": -7.87039608,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -688.35243936,
"band_gap": 2.9324,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022775,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.370000Z",
"spacegroup": 4
},
{
"id": "mp-985292",
"created_at": "2022-09-04T14:46:22.083719Z",
"structure_string": "Ag1 B1 O3\n1.0\n3.483287 0.000000 0.000000\n0.000000 3.483287 0.000000\n0.000000 0.000000 3.483287\nAg B O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 B\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ag",
"B",
"O"
],
"chemical_system": "Ag-B-O",
"density": 6.548744367105115,
"density_atomic": 0.11830476235408299,
"volume": 42.26372548752631,
"volume_molar": 5.090362078557661,
"formula_full": "Ag1 B1 O3",
"formula_reduced": "AgBO3",
"formula_anonymous": "ABC3",
"energy": -27.09928241,
"energy_per_atom": -5.419856482,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.03828241,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9870728,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.916000Z",
"spacegroup": 221
},
{
"id": "mp-1071555",
"created_at": "2022-09-04T14:43:05.293540Z",
"structure_string": "Yb2 Ag2 Bi2\n1.0\n2.439072 -4.224597 0.000000\n2.439072 4.224597 0.000000\n0.000000 0.000000 7.821337\nYb Ag Bi\n2 2 2\ndirect\n0.000000 0.000000 0.250813 Yb\n0.000000 0.000000 0.750813 Yb\n0.333333 0.666667 0.431146 Ag\n0.666667 0.333333 0.931146 Ag\n0.333333 0.666667 0.034041 Bi\n0.666667 0.333333 0.534041 Bi\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Yb",
"Ag",
"Bi"
],
"chemical_system": "Ag-Bi-Yb",
"density": 10.093819282887416,
"density_atomic": 0.037224626506040415,
"volume": 161.1836185656929,
"volume_molar": 16.1778406534792,
"formula_full": "Yb2 Ag2 Bi2",
"formula_reduced": "YbAgBi",
"formula_anonymous": "ABC",
"energy": -20.05771258,
"energy_per_atom": -3.3429520966666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.05771258,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017428,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:55.528000Z",
"spacegroup": 186
},
{
"id": "mp-865546",
"created_at": "2022-09-04T14:41:17.290326Z",
"structure_string": "Yb2 Ag1 Bi1\n1.0\n0.000000 3.802550 3.802550\n3.802550 0.000000 3.802550\n3.802550 3.802550 0.000000\nYb Ag Bi\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Ag",
"Bi"
],
"chemical_system": "Ag-Bi-Yb",
"density": 10.010621878888598,
"density_atomic": 0.03637518373510278,
"volume": 109.96508029016276,
"volume_molar": 16.555629804801544,
"formula_full": "Yb2 Ag1 Bi1",
"formula_reduced": "Yb2AgBi",
"formula_anonymous": "ABC2",
"energy": -12.39711283,
"energy_per_atom": -3.0992782075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.39711283,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.75e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.248000Z",
"spacegroup": 225
}
]
}