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=11462",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=11460",
"results": [
{
"id": "mp-566332",
"created_at": "2022-09-04T14:45:08.995236Z",
"structure_string": "Rb2 W6 O18\n1.0\n-3.767974 -6.526323 0.000000\n-3.767974 6.526323 0.000000\n0.000000 0.000000 -7.767644\nRb W O\n2 6 18\ndirect\n0.000000 0.000000 0.999084 Rb\n0.000000 0.000000 0.505553 Rb\n0.504905 0.999987 0.258127 W\n0.000013 0.504918 0.258127 W\n0.495082 0.495095 0.258127 W\n0.501638 0.000002 0.758136 W\n0.999998 0.501636 0.758136 W\n0.498364 0.498362 0.758136 W\n0.791790 0.212676 0.257471 O\n0.787324 0.579114 0.257471 O\n0.420886 0.208210 0.257471 O\n0.579203 0.787330 0.258729 O\n0.212670 0.791873 0.258729 O\n0.208127 0.420797 0.258729 O\n0.211518 0.790897 0.757522 O\n0.209103 0.420622 0.757522 O\n0.579378 0.788482 0.757522 O\n0.420844 0.209230 0.758704 O\n0.790770 0.211614 0.758704 O\n0.788386 0.579156 0.758704 O\n0.504191 0.998908 0.008081 O\n0.001092 0.505283 0.008081 O\n0.494717 0.495809 0.008081 O\n0.998978 0.503367 0.508038 O\n0.496633 0.495611 0.508038 O\n0.504389 0.001022 0.508038 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Rb",
"W",
"O"
],
"chemical_system": "O-Rb-W",
"density": 6.789293284152415,
"density_atomic": 0.06805774852529742,
"volume": 382.0285061345464,
"volume_molar": 8.848574762595238,
"formula_full": "Rb2 W6 O18",
"formula_reduced": "Rb(WO3)3",
"formula_anonymous": "AB3C9",
"energy": -226.90687982,
"energy_per_atom": -8.727187685384616,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -187.91287982,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9949725,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.992000Z",
"spacegroup": 183
},
{
"id": "mp-38637",
"created_at": "2022-09-04T14:45:10.657438Z",
"structure_string": "Rb1 W6 O18\n1.0\n-3.758859 3.865227 6.515897\n3.758859 -3.865227 6.515897\n3.758859 3.865227 -6.515897\nRb W O\n1 6 18\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 W\n0.000000 0.500000 0.000000 W\n0.500000 0.000000 0.000000 W\n0.500000 0.500000 0.500000 W\n0.250759 0.500000 0.750759 W\n0.749241 0.500000 0.249241 W\n0.749972 0.000120 0.250147 O\n0.646217 0.212133 0.070262 O\n0.141871 0.212133 0.565916 O\n0.964596 0.212131 0.752464 O\n0.459667 0.212131 0.247536 O\n0.646217 0.575955 0.434084 O\n0.141871 0.575955 0.929738 O\n0.250028 0.999880 0.749853 O\n0.250028 0.500175 0.250147 O\n0.749972 0.499825 0.749853 O\n0.353783 0.424045 0.565916 O\n0.858129 0.424045 0.070262 O\n0.035404 0.787869 0.247536 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.540333 0.787869 0.752464 O\n0.353783 0.787867 0.929738 O\n0.858129 0.787867 0.434084 O\n",
"nsites": 25,
"nelements": 3,
"elements": [
"Rb",
"W",
"O"
],
"chemical_system": "O-Rb-W",
"density": 6.474651909547823,
"density_atomic": 0.06601988555475279,
"volume": 378.67378578332364,
"volume_molar": 9.121707360437048,
"formula_full": "Rb1 W6 O18",
"formula_reduced": "Rb(WO3)6",
"formula_anonymous": "AB6C18",
"energy": -223.53911317,
"energy_per_atom": -8.9415645268,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -184.54511317,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7391494,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.477000Z",
"spacegroup": 71
},
{
"id": "mp-18539",
"created_at": "2022-09-04T14:39:27.229472Z",
"structure_string": "Rb2 W6 O18\n1.0\n7.490994 0.000000 0.000000\n-3.745497 6.487391 0.000000\n0.000000 0.000000 7.699452\nRb W O\n2 6 18\ndirect\n0.000000 0.000000 0.501976 Rb\n0.000000 0.000000 0.001976 Rb\n0.513543 0.000004 0.750019 W\n0.513539 0.513543 0.250019 W\n0.000004 0.486461 0.250019 W\n0.999996 0.513539 0.750019 W\n0.486461 0.486457 0.750019 W\n0.486457 0.999996 0.250019 W\n0.500026 0.000093 0.500001 O\n0.499934 0.500026 0.000001 O\n0.000093 0.500066 0.000001 O\n0.999907 0.499934 0.500001 O\n0.500066 0.499974 0.500001 O\n0.499974 0.999907 0.000001 O\n0.786699 0.577562 0.750044 O\n0.209137 0.786699 0.250044 O\n0.422477 0.213318 0.249943 O\n0.209159 0.422477 0.749943 O\n0.213318 0.790841 0.749943 O\n0.786682 0.209159 0.249943 O\n0.790841 0.577523 0.249943 O\n0.577523 0.786682 0.749943 O\n0.213301 0.422438 0.250044 O\n0.790863 0.213301 0.750044 O\n0.422438 0.209137 0.750044 O\n0.577562 0.790863 0.250044 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Rb",
"W",
"O"
],
"chemical_system": "O-Rb-W",
"density": 6.931879442056896,
"density_atomic": 0.06948707150070974,
"volume": 374.1703231763687,
"volume_molar": 8.666562901472242,
"formula_full": "Rb2 W6 O18",
"formula_reduced": "Rb(WO3)3",
"formula_anonymous": "AB3C9",
"energy": -226.61803821,
"energy_per_atom": -8.716078392692308,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -187.62403821,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9718277,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:24.616000Z",
"spacegroup": 193
},
{
"id": "mp-1219769",
"created_at": "2022-09-04T14:39:06.221098Z",
"structure_string": "Rb2 W3 O12\n1.0\n6.154639 -3.701711 0.000000\n6.154639 3.701711 0.000000\n3.928243 0.000000 6.012582\nRb W O\n2 3 12\ndirect\n0.373555 0.373555 0.373555 Rb\n0.626445 0.626445 0.626445 Rb\n0.500000 0.000000 0.000000 W\n0.000000 0.000000 0.500000 W\n0.000000 0.500000 0.000000 W\n0.938874 0.315735 0.315735 O\n0.317478 0.933687 0.933687 O\n0.315735 0.315735 0.938874 O\n0.933687 0.933687 0.317478 O\n0.933687 0.317478 0.933687 O\n0.315735 0.938874 0.315735 O\n0.061126 0.684265 0.684265 O\n0.682522 0.066313 0.066313 O\n0.684265 0.684265 0.061126 O\n0.066313 0.066313 0.682522 O\n0.066313 0.682522 0.066313 O\n0.684265 0.061126 0.684265 O\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Rb",
"W",
"O"
],
"chemical_system": "O-Rb-W",
"density": 5.542582928964802,
"density_atomic": 0.062051576439247594,
"volume": 273.96564238209277,
"volume_molar": 9.705056834286967,
"formula_full": "Rb2 W3 O12",
"formula_reduced": "Rb2(WO4)3",
"formula_anonymous": "A2B3C12",
"energy": -128.55181935,
"energy_per_atom": -7.561871726470588,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -106.99381935,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9764146,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.839000Z",
"spacegroup": 166
},
{
"id": "mp-674969",
"created_at": "2022-09-04T14:45:19.699010Z",
"structure_string": "Rb10 W16 O60\n1.0\n7.453780 0.000000 0.000000\n-0.058969 10.587610 0.000000\n-3.625548 -5.072870 18.789198\nRb W O\n10 16 60\ndirect\n0.747235 0.370551 0.001251 Rb\n0.252765 0.629449 0.998749 Rb\n0.160170 0.779468 0.805645 Rb\n0.549781 0.182059 0.595529 Rb\n0.662277 0.024096 0.813032 Rb\n0.039981 0.429759 0.598164 Rb\n0.960019 0.570241 0.401836 Rb\n0.337723 0.975904 0.186968 Rb\n0.450219 0.817941 0.404471 Rb\n0.839830 0.220532 0.194355 Rb\n0.000000 0.000000 0.000000 W\n0.206059 0.214655 0.907486 W\n0.500000 0.000000 0.000000 W\n0.624365 0.616289 0.707960 W\n0.896945 0.406852 0.806838 W\n0.000000 0.000000 0.500000 W\n0.400562 0.410612 0.799899 W\n0.328744 0.807101 0.602724 W\n0.671256 0.192899 0.397276 W\n0.100484 0.108515 0.707498 W\n0.103055 0.593148 0.193162 W\n0.500000 0.500000 0.500000 W\n0.375635 0.383711 0.292040 W\n0.599438 0.589388 0.200101 W\n0.899516 0.891485 0.292502 W\n0.793941 0.785345 0.092514 W\n0.362797 0.289355 0.859571 O\n0.743993 0.045148 0.987127 O\n0.952083 0.851063 0.921736 O\n0.804214 0.685824 0.674110 O\n0.923050 0.547254 0.879688 O\n0.988168 0.289247 0.865003 O\n0.137182 0.432149 0.784427 O\n0.249916 0.342442 0.986643 O\n0.256007 0.954852 0.012873 O\n0.140941 0.075680 0.796718 O\n0.396080 0.099069 0.931041 O\n0.242333 0.942356 0.674112 O\n0.301682 0.220890 0.716526 O\n0.211940 0.094878 0.496255 O\n0.478164 0.850019 0.923610 O\n0.408246 0.708382 0.669234 O\n0.445777 0.547213 0.874657 O\n0.652639 0.737364 0.791024 O\n0.524680 0.905701 0.605183 O\n0.647544 0.345133 0.805662 O\n0.579032 0.504336 0.600156 O\n0.790993 0.484695 0.731517 O\n0.646197 0.344546 0.475227 O\n0.694191 0.608760 0.493644 O\n0.566661 0.508807 0.273266 O\n0.830157 0.130993 0.475410 O\n0.037198 0.101950 0.933621 O\n0.937457 0.941060 0.661039 O\n0.914269 0.220388 0.720213 O\n0.937377 0.281140 0.426535 O\n0.037032 0.096471 0.599395 O\n0.062623 0.718860 0.573465 O\n0.962968 0.903529 0.400605 O\n0.169843 0.869007 0.524590 O\n0.085731 0.779612 0.279787 O\n0.062543 0.058940 0.338961 O\n0.962802 0.898050 0.066379 O\n0.433339 0.491193 0.726734 O\n0.353803 0.655454 0.524773 O\n0.305809 0.391240 0.506356 O\n0.209007 0.515305 0.268483 O\n0.420968 0.495664 0.399844 O\n0.352456 0.654867 0.194338 O\n0.475320 0.094299 0.394817 O\n0.347361 0.262636 0.208976 O\n0.591754 0.291618 0.330766 O\n0.521836 0.149981 0.076390 O\n0.554223 0.452787 0.125343 O\n0.788060 0.905122 0.503745 O\n0.757667 0.057644 0.325888 O\n0.603920 0.900931 0.068959 O\n0.698318 0.779110 0.283474 O\n0.859059 0.924320 0.203282 O\n0.862818 0.567851 0.215573 O\n0.750084 0.657558 0.013357 O\n0.011832 0.710753 0.134997 O\n0.076950 0.452746 0.120312 O\n0.195786 0.314176 0.325890 O\n0.047917 0.148937 0.078264 O\n0.637203 0.710645 0.140429 O\n",
"nsites": 86,
"nelements": 3,
"elements": [
"Rb",
"W",
"O"
],
"chemical_system": "O-Rb-W",
"density": 5.326178073416406,
"density_atomic": 0.057998358544996347,
"volume": 1482.800585352418,
"volume_molar": 10.383295167444947,
"formula_full": "Rb10 W16 O60",
"formula_reduced": "Rb5(W4O15)2",
"formula_anonymous": "A5B8C30",
"energy": -675.76008321,
"energy_per_atom": -7.85767538616279,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -563.53208321,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2326922,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.692000Z",
"spacegroup": 2
},
{
"id": "mp-558328",
"created_at": "2022-09-04T14:45:06.960535Z",
"structure_string": "Rb2 W6 O18\n1.0\n7.491812 0.000000 0.000000\n-3.745906 6.488100 0.000000\n0.000000 0.000000 7.696854\nRb W O\n2 6 18\ndirect\n0.000000 0.000000 0.999736 Rb\n0.000000 0.000000 0.494984 Rb\n0.000027 0.490619 0.242039 W\n0.000027 0.517532 0.741965 W\n0.490592 0.999973 0.242039 W\n0.509381 0.509408 0.242039 W\n0.482468 0.482495 0.741965 W\n0.517505 0.999973 0.741965 W\n0.422790 0.211664 0.242461 O\n0.495043 0.496064 0.491822 O\n0.211632 0.422731 0.241299 O\n0.784950 0.577879 0.741315 O\n0.001021 0.504957 0.491822 O\n0.503936 0.998979 0.491822 O\n0.999039 0.503744 0.992013 O\n0.504706 0.000961 0.992013 O\n0.792929 0.215050 0.741315 O\n0.215040 0.792938 0.742493 O\n0.207062 0.422102 0.742493 O\n0.577269 0.788901 0.241299 O\n0.788336 0.211127 0.242461 O\n0.496256 0.495294 0.992013 O\n0.577898 0.784960 0.742493 O\n0.211099 0.788368 0.241299 O\n0.422121 0.207071 0.741315 O\n0.788873 0.577210 0.242461 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Rb",
"W",
"O"
],
"chemical_system": "O-Rb-W",
"density": 6.932704445578998,
"density_atomic": 0.06949534156357043,
"volume": 374.12579627681464,
"volume_molar": 8.665531565869468,
"formula_full": "Rb2 W6 O18",
"formula_reduced": "Rb(WO3)3",
"formula_anonymous": "AB3C9",
"energy": -226.60969579,
"energy_per_atom": -8.715757530384614,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -187.61569579,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.971642,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:51.943000Z",
"spacegroup": 185
},
{
"id": "mp-698610",
"created_at": "2022-09-04T14:44:59.362053Z",
"structure_string": "Rb2 W12 O36\n1.0\n7.517873 0.000000 0.000000\n0.000000 7.730160 0.000000\n0.000000 0.000000 13.022099\nRb W O\n2 12 36\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.753114 0.251613 0.246629 W\n0.253114 0.248387 0.253371 W\n0.253114 0.248387 0.746629 W\n0.246886 0.748387 0.246629 W\n0.006772 0.750314 0.500000 W\n0.993228 0.249686 0.500000 W\n0.753114 0.251613 0.753371 W\n0.746886 0.751613 0.746629 W\n0.746886 0.751613 0.253371 W\n0.506772 0.749686 0.000000 W\n0.493228 0.250314 0.000000 W\n0.246886 0.748387 0.753371 W\n0.750090 0.000661 0.249845 O\n0.682751 0.752392 0.106700 O\n0.681324 0.248138 0.105202 O\n0.501421 0.252304 0.287972 O\n0.498579 0.747696 0.287972 O\n0.318676 0.751862 0.105202 O\n0.317249 0.247608 0.106700 O\n0.249910 0.999339 0.750155 O\n0.250090 0.499339 0.250155 O\n0.249910 0.999339 0.249845 O\n0.182751 0.747608 0.606700 O\n0.182751 0.747608 0.393300 O\n0.181324 0.251862 0.394798 O\n0.181324 0.251862 0.605202 O\n0.001421 0.247696 0.787972 O\n0.001421 0.247696 0.212028 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.998579 0.752304 0.787972 O\n0.998579 0.752304 0.212028 O\n0.818676 0.748138 0.605202 O\n0.818676 0.748138 0.394798 O\n0.817249 0.252392 0.393300 O\n0.817249 0.252392 0.606700 O\n0.750090 0.000661 0.750155 O\n0.749910 0.500661 0.749845 O\n0.749910 0.500661 0.250155 O\n0.682751 0.752392 0.893300 O\n0.681324 0.248138 0.894798 O\n0.501421 0.252304 0.712028 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.498579 0.747696 0.712028 O\n0.318676 0.751862 0.894798 O\n0.317249 0.247608 0.893300 O\n0.250090 0.499339 0.749845 O\n",
"nsites": 50,
"nelements": 3,
"elements": [
"Rb",
"W",
"O"
],
"chemical_system": "O-Rb-W",
"density": 6.479585148375198,
"density_atomic": 0.06607018816056813,
"volume": 756.7709642128867,
"volume_molar": 9.114762539141854,
"formula_full": "Rb2 W12 O36",
"formula_reduced": "Rb(WO3)6",
"formula_anonymous": "AB6C18",
"energy": -447.08348382,
"energy_per_atom": -8.9416696764,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -369.09548382,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0058018,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.161000Z",
"spacegroup": 58
},
{
"id": "mp-705830",
"created_at": "2022-09-04T14:42:58.691846Z",
"structure_string": "Rb10 W36 O108\n1.0\n7.521911 -0.000000 -0.000000\n-3.760956 6.514166 0.000000\n0.000000 -0.000000 46.495498\nRb W O\n10 36 108\ndirect\n-0.000000 -0.000000 0.583253 Rb\n-0.000000 -0.000000 0.245120 Rb\n-0.000000 -0.000000 0.332902 Rb\n-0.000000 -0.000000 0.416634 Rb\n-0.000000 -0.000000 0.499699 Rb\n-0.000000 -0.000000 0.666843 Rb\n-0.000000 -0.000000 0.750122 Rb\n-0.000000 -0.000000 0.833853 Rb\n-0.000000 -0.000000 0.921583 Rb\n-0.000000 -0.000000 0.083340 Rb\n0.000000 0.497950 0.041578 W\n0.000000 0.498347 0.208151 W\n1.000000 0.500340 0.375123 W\n0.000000 0.500093 0.541509 W\n1.000000 0.500359 0.708554 W\n0.000000 0.499945 0.874980 W\n0.497950 1.000000 0.041578 W\n0.501893 0.000000 0.125069 W\n0.499583 1.000000 0.458160 W\n0.499914 0.000000 0.625075 W\n0.498107 0.498107 0.125069 W\n0.499869 0.499869 0.291666 W\n0.500417 0.500417 0.458160 W\n0.500086 0.500086 0.625075 W\n0.500366 0.500366 0.791653 W\n0.498323 0.498323 0.958484 W\n0.502050 0.502050 0.041578 W\n0.501653 0.501653 0.208151 W\n0.499660 0.499660 0.375123 W\n0.499907 0.499907 0.541509 W\n0.500055 0.500055 0.874980 W\n0.499641 0.499641 0.708554 W\n0.498347 1.000000 0.208151 W\n0.500340 0.000000 0.375123 W\n0.500093 1.000000 0.541509 W\n0.500359 0.000000 0.708554 W\n0.499945 1.000000 0.874980 W\n0.500131 0.000000 0.291666 W\n0.499634 1.000000 0.791653 W\n0.501677 0.000000 0.958484 W\n1.000000 0.501893 0.125069 W\n1.000000 0.500131 0.291666 W\n0.000000 0.499583 0.458160 W\n0.000000 0.499914 0.625075 W\n0.000000 0.499634 0.791653 W\n1.000000 0.501677 0.958484 W\n0.000000 0.500033 0.000056 O\n0.000000 0.500105 0.332879 O\n0.000000 0.499925 0.166636 O\n-0.000000 0.500060 0.666375 O\n0.211776 0.787327 0.041970 O\n0.211535 0.787556 0.208594 O\n0.210150 0.790068 0.374721 O\n0.210125 0.789907 0.541848 O\n0.210240 0.789978 0.708235 O\n0.210460 0.789596 0.875164 O\n0.212631 0.788168 0.124719 O\n0.210382 0.789587 0.291485 O\n0.209848 0.789845 0.458417 O\n0.210141 0.789835 0.624907 O\n0.210051 0.789708 0.791855 O\n0.212436 0.788465 0.958086 O\n0.211832 0.424463 0.124719 O\n0.210413 0.420796 0.291485 O\n0.210155 0.420001 0.458417 O\n0.210165 0.420306 0.624907 O\n0.210292 0.420343 0.791855 O\n0.211535 0.423971 0.958086 O\n0.499963 0.000000 0.083355 O\n0.500018 0.000000 0.583375 O\n0.212673 0.424449 0.041970 O\n0.212444 0.423978 0.208594 O\n0.209932 0.420082 0.374721 O\n0.210093 0.420218 0.541848 O\n0.210022 0.420264 0.708235 O\n0.210404 0.420863 0.875164 O\n0.575551 0.788224 0.041970 O\n0.576022 0.788465 0.208594 O\n0.579918 0.789850 0.374721 O\n0.579782 0.789875 0.541848 O\n0.579736 0.789760 0.708235 O\n0.579137 0.789540 0.875164 O\n0.575537 0.787369 0.124719 O\n0.579204 0.789618 0.291485 O\n0.579999 0.790152 0.458417 O\n0.579694 0.789859 0.624907 O\n0.579657 0.789949 0.791855 O\n0.576029 0.787564 0.958086 O\n0.500037 0.500037 0.083355 O\n0.500576 0.500576 0.249993 O\n0.499982 0.499982 0.583375 O\n0.500071 0.500071 0.416445 O\n0.499985 0.499985 0.749927 O\n0.499439 0.499439 0.916695 O\n0.499967 0.499967 0.000056 O\n0.500075 0.500075 0.166636 O\n0.499895 0.499895 0.332879 O\n0.500109 0.500109 0.500429 O\n0.499940 0.499940 0.666375 O\n0.500113 0.500113 0.833830 O\n0.424449 0.212673 0.041970 O\n0.423978 0.212444 0.208594 O\n0.420082 0.209932 0.374721 O\n0.420218 0.210093 0.541848 O\n0.420264 0.210022 0.708235 O\n0.420863 0.210404 0.875164 O\n0.424463 0.211832 0.124719 O\n0.420796 0.210413 0.291485 O\n0.420001 0.210155 0.458417 O\n0.420306 0.210165 0.624907 O\n0.420343 0.210292 0.791855 O\n0.423971 0.211535 0.958086 O\n0.787369 0.575537 0.124719 O\n0.789618 0.579204 0.291485 O\n0.790152 0.579999 0.458417 O\n0.789859 0.579694 0.624907 O\n0.789949 0.579657 0.791855 O\n0.787564 0.576029 0.958086 O\n0.500033 0.000000 0.000056 O\n0.499925 0.000000 0.166636 O\n0.500105 1.000000 0.332879 O\n0.499891 0.000000 0.500429 O\n0.500060 1.000000 0.666375 O\n0.499887 0.000000 0.833830 O\n0.499929 1.000000 0.416445 O\n0.499424 1.000000 0.249993 O\n0.500015 0.000000 0.749927 O\n0.500561 0.000000 0.916695 O\n0.788224 0.575551 0.041970 O\n0.788465 0.576022 0.208594 O\n0.789850 0.579918 0.374721 O\n0.789875 0.579782 0.541848 O\n0.789760 0.579736 0.708235 O\n0.789540 0.579137 0.875164 O\n0.787327 0.211776 0.041970 O\n0.787556 0.211535 0.208594 O\n0.790068 0.210150 0.374721 O\n0.789907 0.210125 0.541848 O\n0.789978 0.210240 0.708235 O\n0.789596 0.210460 0.875164 O\n0.788168 0.212631 0.124719 O\n0.789587 0.210382 0.291485 O\n0.789845 0.209848 0.458417 O\n0.789835 0.210141 0.624907 O\n0.789708 0.210051 0.791855 O\n0.788465 0.212436 0.958086 O\n0.000000 0.499963 0.083355 O\n0.000000 0.499424 0.249993 O\n-0.000000 0.499929 0.416445 O\n0.000000 0.500015 0.749927 O\n0.000000 0.500018 0.583375 O\n0.000000 0.500561 0.916695 O\n0.000000 0.499891 0.500429 O\n-0.000000 0.499887 0.833830 O\n",
"nsites": 154,
"nelements": 3,
"elements": [
"Rb",
"W",
"O"
],
"chemical_system": "O-Rb-W",
"density": 6.706242959882153,
"density_atomic": 0.06759628139404926,
"volume": 2278.231832048045,
"volume_molar": 8.908982322406496,
"formula_full": "Rb10 W36 O108",
"formula_reduced": "Rb5(WO3)18",
"formula_anonymous": "A5B18C54",
"energy": -1354.9672505900005,
"energy_per_atom": -8.798488640194808,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1121.00325059,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9753681,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.935000Z",
"spacegroup": 191
},
{
"id": "mp-1219848",
"created_at": "2022-09-04T14:40:27.858188Z",
"structure_string": "Rb3 W12 O36\n1.0\n-3.761475 6.513523 7.744189\n3.761475 -6.513523 7.744189\n3.761475 6.513523 -7.744189\nRb W O\n3 12 36\ndirect\n0.500000 0.500000 0.000000 Rb\n0.240368 0.240368 0.000000 Rb\n0.759632 0.759632 0.000000 Rb\n0.374788 0.874788 0.500000 W\n0.875611 0.375611 0.500000 W\n0.126141 0.623851 0.999672 W\n0.624179 0.126469 0.000328 W\n0.126141 0.126469 0.502291 W\n0.624179 0.623851 0.497709 W\n0.625212 0.125212 0.500000 W\n0.124389 0.624389 0.500000 W\n0.375821 0.873531 0.999672 W\n0.873859 0.376149 0.000328 W\n0.375821 0.376149 0.502291 W\n0.873859 0.873531 0.497709 W\n0.086761 0.874082 0.212679 O\n0.585075 0.375171 0.209903 O\n0.269768 0.059610 0.579072 O\n0.767577 0.556120 0.575495 O\n0.269768 0.690696 0.210158 O\n0.767577 0.192083 0.211457 O\n0.165268 0.375171 0.790097 O\n0.661403 0.874082 0.787321 O\n0.980625 0.556120 0.788543 O\n0.480538 0.059610 0.789842 O\n0.980625 0.192083 0.424505 O\n0.480538 0.690696 0.420928 O\n0.414925 0.624829 0.790097 O\n0.913239 0.125918 0.787321 O\n0.232423 0.443880 0.424505 O\n0.730232 0.940390 0.420928 O\n0.232423 0.807917 0.788543 O\n0.730232 0.309304 0.789842 O\n0.338597 0.125918 0.212679 O\n0.834732 0.624829 0.209903 O\n0.519462 0.940390 0.210158 O\n0.019375 0.443880 0.211457 O\n0.519462 0.309304 0.579072 O\n0.019375 0.807917 0.575495 O\n0.250382 0.250488 0.500870 O\n0.749618 0.749512 0.499130 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.250382 0.749512 0.999894 O\n0.749618 0.250488 0.000106 O\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.749775 0.249775 0.500000 O\n0.250225 0.750225 0.500000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 51,
"nelements": 3,
"elements": [
"Rb",
"W",
"O"
],
"chemical_system": "O-Rb-W",
"density": 6.648027580894086,
"density_atomic": 0.06719858225630591,
"volume": 758.9445831681093,
"volume_molar": 8.961708056623294,
"formula_full": "Rb3 W12 O36",
"formula_reduced": "Rb(WO3)4",
"formula_anonymous": "AB4C12",
"energy": -450.49900959,
"energy_per_atom": -8.833313913529413,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -372.51100959,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9813692,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.209000Z",
"spacegroup": 71
},
{
"id": "mp-1209741",
"created_at": "2022-09-04T14:42:01.159911Z",
"structure_string": "Rb4 W4 O28\n1.0\n6.385554 0.433215 -0.115793\n-1.784554 7.936451 -2.215676\n0.281246 0.329607 13.461998\nRb W O\n4 4 28\ndirect\n0.326819 0.818960 0.116888 Rb\n0.673181 0.181040 0.883112 Rb\n0.617439 0.262829 0.564347 Rb\n0.382561 0.737171 0.435653 Rb\n0.034159 0.132669 0.334625 W\n0.965841 0.867331 0.665375 W\n0.289286 0.252845 0.104710 W\n0.710714 0.747155 0.895290 W\n0.100703 0.170108 0.202018 O\n0.899297 0.829892 0.797982 O\n0.054046 0.356600 0.053163 O\n0.945954 0.643400 0.946837 O\n0.221400 0.068746 0.645837 O\n0.778600 0.931254 0.354163 O\n0.835615 0.257318 0.389873 O\n0.164385 0.742682 0.610127 O\n0.285550 0.517746 0.231257 O\n0.714450 0.482254 0.768743 O\n0.199928 0.280342 0.481005 O\n0.800072 0.719658 0.518995 O\n0.284936 0.070365 0.007140 O\n0.715064 0.929635 0.992860 O\n0.203848 0.058285 0.743578 O\n0.796152 0.941715 0.256422 O\n0.261773 0.417625 0.023276 O\n0.738227 0.582375 0.976724 O\n0.796900 0.015914 0.647012 O\n0.203100 0.984086 0.352988 O\n0.901755 0.445919 0.771763 O\n0.098245 0.554081 0.228237 O\n0.595035 0.334150 0.117271 O\n0.404965 0.665850 0.882729 O\n0.525648 0.245521 0.196539 O\n0.474352 0.754479 0.803461 O\n0.269540 0.335562 0.399237 O\n0.730460 0.664438 0.600763 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Rb",
"W",
"O"
],
"chemical_system": "O-Rb-W",
"density": 3.631792472582364,
"density_atomic": 0.051623034609958776,
"volume": 697.3631107121145,
"volume_molar": 11.66560781538838,
"formula_full": "Rb4 W4 O28",
"formula_reduced": "RbWO7",
"formula_anonymous": "ABC7",
"energy": -228.91219753,
"energy_per_atom": -6.358672153611111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -206.65219753,
"band_gap": 0.2461999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9995976,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.840000Z",
"spacegroup": 2
},
{
"id": "mp-1193715",
"created_at": "2022-09-04T14:48:24.417515Z",
"structure_string": "Rb2 W6 O18\n1.0\n3.760767 -6.513839 0.000000\n3.760767 6.513839 0.000000\n0.000000 0.000000 7.742016\nRb W O\n2 6 18\ndirect\n0.000000 0.000000 0.511118 Rb\n0.000000 0.000000 0.011118 Rb\n0.500057 0.000114 0.248955 W\n0.999886 0.499943 0.248955 W\n0.500057 0.499943 0.248955 W\n0.499943 0.999886 0.748955 W\n0.000114 0.500057 0.748955 W\n0.499943 0.500057 0.748955 W\n0.789981 0.210019 0.233178 O\n0.789981 0.579962 0.233178 O\n0.420038 0.210019 0.233178 O\n0.210019 0.789981 0.733178 O\n0.210019 0.420038 0.733178 O\n0.579962 0.789981 0.733178 O\n0.210447 0.420893 0.264495 O\n0.579107 0.789553 0.264495 O\n0.210447 0.789553 0.264495 O\n0.789553 0.579107 0.764495 O\n0.420893 0.210447 0.764495 O\n0.789553 0.210447 0.764495 O\n0.513007 0.026013 0.499000 O\n0.973987 0.486993 0.499000 O\n0.513007 0.486993 0.499000 O\n0.486993 0.973987 0.999000 O\n0.026013 0.513007 0.999000 O\n0.486993 0.513007 0.999000 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Rb",
"W",
"O"
],
"chemical_system": "O-Rb-W",
"density": 6.837901372200688,
"density_atomic": 0.06854500940713423,
"volume": 379.3128081078634,
"volume_molar": 8.785673548063166,
"formula_full": "Rb2 W6 O18",
"formula_reduced": "Rb(WO3)3",
"formula_anonymous": "AB3C9",
"energy": -226.87526449,
"energy_per_atom": -8.725971711153846,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -187.88126449,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9971383,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:27.445000Z",
"spacegroup": 186
},
{
"id": "mp-757900",
"created_at": "2022-09-04T14:44:12.223906Z",
"structure_string": "Rb5 W18 O54\n1.0\n3.742600 -6.482374 0.000000\n3.742600 6.482374 0.000000\n0.000000 0.000000 23.086799\nRb W O\n5 18 54\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.000000 0.154471 Rb\n0.000000 0.000000 0.331265 Rb\n0.000000 0.000000 0.668735 Rb\n0.000000 0.000000 0.845529 Rb\n0.000000 0.507372 0.917251 W\n0.000000 0.500198 0.583490 W\n0.000000 0.502893 0.249675 W\n0.000000 0.497107 0.750325 W\n0.000000 0.492628 0.082749 W\n0.000000 0.499802 0.416510 W\n0.497107 0.497107 0.249675 W\n0.492628 0.492628 0.917251 W\n0.499802 0.499802 0.583490 W\n0.500198 0.500198 0.416510 W\n0.507372 0.507372 0.082749 W\n0.502893 0.502893 0.750325 W\n0.492628 0.000000 0.082749 W\n0.499802 0.000000 0.416510 W\n0.497107 0.000000 0.750325 W\n0.502893 0.000000 0.249675 W\n0.500198 0.000000 0.583490 W\n0.507372 0.000000 0.917251 W\n0.000000 0.499794 0.666531 O\n0.000000 0.500206 0.333469 O\n0.000000 0.500000 0.000000 O\n0.000000 0.499537 0.167163 O\n0.000000 0.500463 0.832837 O\n0.000000 0.500000 0.500000 O\n0.213279 0.786528 0.084002 O\n0.212072 0.788124 0.749704 O\n0.212022 0.788337 0.416720 O\n0.213472 0.786721 0.915998 O\n0.211663 0.787978 0.583280 O\n0.211876 0.787928 0.250296 O\n0.212072 0.423948 0.250296 O\n0.212022 0.423685 0.583280 O\n0.213279 0.426751 0.915998 O\n0.211663 0.423685 0.416720 O\n0.213472 0.426751 0.084002 O\n0.211876 0.423948 0.749704 O\n0.576315 0.787978 0.416720 O\n0.576052 0.787928 0.749704 O\n0.573249 0.786721 0.084002 O\n0.576315 0.788337 0.583280 O\n0.576052 0.788124 0.250296 O\n0.573249 0.786528 0.915998 O\n0.500206 0.500206 0.666531 O\n0.499537 0.499537 0.832837 O\n0.500463 0.500463 0.167163 O\n0.499794 0.499794 0.333469 O\n0.500000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.426751 0.213472 0.084002 O\n0.423685 0.211663 0.416720 O\n0.423948 0.211876 0.749704 O\n0.423685 0.212022 0.583280 O\n0.423948 0.212072 0.250296 O\n0.426751 0.213279 0.915998 O\n0.786528 0.573249 0.915998 O\n0.788124 0.576052 0.250296 O\n0.788337 0.576315 0.583280 O\n0.499794 0.000000 0.666531 O\n0.500000 0.000000 0.000000 O\n0.500463 0.000000 0.832837 O\n0.499537 0.000000 0.167163 O\n0.500206 0.000000 0.333469 O\n0.500000 0.000000 0.500000 O\n0.787928 0.576052 0.749704 O\n0.787978 0.576315 0.416720 O\n0.786721 0.573249 0.084002 O\n0.788124 0.212072 0.749704 O\n0.786528 0.213279 0.084002 O\n0.788337 0.212022 0.416720 O\n0.787928 0.211876 0.250296 O\n0.786721 0.213472 0.915998 O\n0.787978 0.211663 0.583280 O\n",
"nsites": 77,
"nelements": 3,
"elements": [
"Rb",
"W",
"O"
],
"chemical_system": "O-Rb-W",
"density": 6.8193972258562985,
"density_atomic": 0.06873683172148025,
"volume": 1120.2145643255988,
"volume_molar": 8.761155568533546,
"formula_full": "Rb5 W18 O54",
"formula_reduced": "Rb5(WO3)18",
"formula_anonymous": "A5B18C54",
"energy": -677.09180223,
"energy_per_atom": -8.793400028961038,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -560.10980223,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3606703,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.334000Z",
"spacegroup": 162
}
]
}