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=elements&page=10234",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=10232",
"results": [
{
"id": "mp-560051",
"created_at": "2022-09-04T14:40:04.300843Z",
"structure_string": "Rb4 Si4 Bi4 S16\n1.0\n6.890405 0.000000 0.000000\n0.000000 6.584706 0.000000\n0.000000 5.618635 17.308758\nRb Si Bi S\n4 4 4 16\ndirect\n0.253246 0.709782 0.036000 Rb\n0.246754 0.709782 0.536000 Rb\n0.753246 0.290218 0.464000 Rb\n0.746754 0.290218 0.964000 Rb\n0.270826 0.202340 0.840621 Si\n0.229174 0.202340 0.340621 Si\n0.770826 0.797660 0.659379 Si\n0.729174 0.797660 0.159379 Si\n0.809554 0.239150 0.223226 Bi\n0.190446 0.760850 0.776774 Bi\n0.690446 0.239150 0.723226 Bi\n0.309554 0.760850 0.276774 Bi\n0.515446 0.990923 0.645923 S\n0.181156 0.397721 0.222290 S\n0.484554 0.009077 0.354077 S\n0.015446 0.009077 0.854077 S\n0.318844 0.397721 0.722290 S\n0.245363 0.408649 0.910040 S\n0.754637 0.591351 0.089960 S\n0.818844 0.602279 0.777710 S\n0.745363 0.591351 0.589960 S\n0.254637 0.408649 0.410040 S\n0.507792 0.986701 0.865197 S\n0.007792 0.013299 0.634803 S\n0.492208 0.013299 0.134803 S\n0.984554 0.990923 0.145923 S\n0.992208 0.986701 0.365197 S\n0.681156 0.602279 0.277710 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Rb",
"Si",
"Bi",
"S"
],
"chemical_system": "Bi-Rb-S-Si",
"density": 3.8127636323292067,
"density_atomic": 0.035654223873361895,
"volume": 785.3206985924452,
"volume_molar": 16.890399245232995,
"formula_full": "Rb4 Si4 Bi4 S16",
"formula_reduced": "RbSiBiS4",
"formula_anonymous": "ABCD4",
"energy": -137.75127203,
"energy_per_atom": -4.919688286785714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -129.70327203,
"band_gap": 1.9806,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000184,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:47.334000Z",
"spacegroup": 14
},
{
"id": "mp-680314",
"created_at": "2022-09-04T14:40:17.801834Z",
"structure_string": "Rb56 Si24 Ge16 O68\n1.0\n8.014088 0.000000 0.000000\n0.000000 14.742058 0.000000\n0.000000 7.001598 32.335415\nRb Si Ge O\n56 24 16 68\ndirect\n0.514467 0.951464 0.891598 Rb\n0.862103 0.299061 0.639855 Rb\n0.864839 0.643665 0.471183 Rb\n0.447163 0.447047 0.888938 Rb\n0.947568 0.795583 0.757411 Rb\n0.014467 0.548536 0.608402 Rb\n0.948469 0.320676 0.883062 Rb\n0.010193 0.294367 0.757870 Rb\n0.636476 0.073742 0.215321 Rb\n0.137897 0.700939 0.360145 Rb\n0.485533 0.048536 0.108402 Rb\n0.457620 0.949464 0.567303 Rb\n0.042380 0.449464 0.067303 Rb\n0.051531 0.679324 0.116938 Rb\n0.531035 0.677826 0.629419 Rb\n0.551531 0.820676 0.383062 Rb\n0.448469 0.179324 0.616938 Rb\n0.052432 0.204417 0.242589 Rb\n0.552837 0.552953 0.111062 Rb\n0.988455 0.008179 0.932743 Rb\n0.511545 0.508179 0.432743 Rb\n0.510193 0.205633 0.742130 Rb\n0.468965 0.322174 0.370581 Rb\n0.957620 0.550536 0.932697 Rb\n0.902483 0.921348 0.287303 Rb\n0.863524 0.573742 0.715321 Rb\n0.098837 0.790998 0.644918 Rb\n0.363524 0.926258 0.784679 Rb\n0.901163 0.209002 0.355082 Rb\n0.635161 0.143665 0.971183 Rb\n0.489807 0.794367 0.257870 Rb\n0.598837 0.709002 0.855082 Rb\n0.401163 0.290998 0.144918 Rb\n0.130490 0.124066 0.466179 Rb\n0.989807 0.705633 0.242130 Rb\n0.135161 0.356335 0.528817 Rb\n0.136476 0.426258 0.284679 Rb\n0.542380 0.050536 0.432697 Rb\n0.011545 0.991821 0.067257 Rb\n0.447568 0.704417 0.742589 Rb\n0.869510 0.875934 0.533821 Rb\n0.097517 0.078652 0.712697 Rb\n0.488455 0.491821 0.567257 Rb\n0.402483 0.578652 0.212697 Rb\n0.985533 0.451464 0.391598 Rb\n0.052837 0.947047 0.388938 Rb\n0.947163 0.052953 0.611062 Rb\n0.630490 0.375934 0.033821 Rb\n0.369510 0.624066 0.966179 Rb\n0.362103 0.200939 0.860145 Rb\n0.597517 0.421348 0.787303 Rb\n0.364839 0.856335 0.028817 Rb\n0.637897 0.799061 0.139855 Rb\n0.552432 0.295583 0.257411 Rb\n0.031035 0.822174 0.870581 Rb\n0.968965 0.177826 0.129419 Rb\n0.857642 0.560708 0.825999 Si\n0.642358 0.060708 0.325999 Si\n0.896196 0.935355 0.176086 Si\n0.396196 0.564645 0.323914 Si\n0.227537 0.013385 0.201897 Si\n0.738314 0.646726 0.345508 Si\n0.142358 0.439292 0.174001 Si\n0.293150 0.145228 0.340229 Si\n0.272463 0.513385 0.701897 Si\n0.317738 0.974314 0.300913 Si\n0.603804 0.435355 0.676086 Si\n0.261686 0.353274 0.654492 Si\n0.182262 0.474314 0.800913 Si\n0.206850 0.645228 0.840229 Si\n0.682262 0.025686 0.699087 Si\n0.238314 0.853274 0.154492 Si\n0.817738 0.525686 0.199087 Si\n0.706850 0.854772 0.659771 Si\n0.727537 0.486615 0.298103 Si\n0.103804 0.064645 0.823914 Si\n0.761686 0.146726 0.845508 Si\n0.357642 0.939292 0.674001 Si\n0.793150 0.354772 0.159771 Si\n0.772463 0.986615 0.798103 Si\n0.287544 0.677282 0.473982 Ge\n0.766990 0.647314 0.021460 Ge\n0.475556 0.247424 0.491607 Ge\n0.787544 0.822718 0.026018 Ge\n0.735707 0.774383 0.955300 Ge\n0.764293 0.274383 0.455300 Ge\n0.266990 0.852686 0.478540 Ge\n0.235707 0.725617 0.544700 Ge\n0.024444 0.747424 0.991607 Ge\n0.975556 0.252576 0.008393 Ge\n0.712456 0.322718 0.526018 Ge\n0.733010 0.147314 0.521460 Ge\n0.264293 0.225617 0.044700 Ge\n0.212456 0.177282 0.973982 Ge\n0.233010 0.352686 0.978540 Ge\n0.524444 0.752576 0.508393 Ge\n0.765301 0.116107 0.290808 O\n0.504361 0.136546 0.339678 O\n0.295716 0.751510 0.178514 O\n0.772088 0.500893 0.867439 O\n0.778627 0.875449 0.211322 O\n0.204284 0.251510 0.678514 O\n0.761317 0.753184 0.684954 O\n0.276710 0.979509 0.251494 O\n0.479006 0.504134 0.699386 O\n0.813904 0.566340 0.319958 O\n0.695096 0.502068 0.637239 O\n0.723290 0.020491 0.748506 O\n0.227912 0.499107 0.132561 O\n0.278627 0.624551 0.288678 O\n0.751958 0.622114 0.171618 O\n0.976978 0.487518 0.803900 O\n0.313904 0.933660 0.180042 O\n0.726055 0.383117 0.112666 O\n0.971343 0.136097 0.842192 O\n0.748042 0.122114 0.671618 O\n0.261317 0.746816 0.815046 O\n0.792785 0.383907 0.317770 O\n0.776710 0.520491 0.248506 O\n0.265301 0.383893 0.209192 O\n0.523022 0.987518 0.303900 O\n0.251958 0.877886 0.328382 O\n0.234699 0.883893 0.709192 O\n0.248042 0.377886 0.828382 O\n0.707215 0.883907 0.817770 O\n0.520994 0.495866 0.300614 O\n0.773901 0.934590 0.686609 O\n0.738683 0.253184 0.184954 O\n0.297474 0.883952 0.106672 O\n0.795716 0.748490 0.321486 O\n0.028657 0.863903 0.157808 O\n0.273945 0.616883 0.887334 O\n0.304904 0.497932 0.362761 O\n0.226099 0.065410 0.313391 O\n0.004361 0.363454 0.160322 O\n0.704284 0.248490 0.821486 O\n0.727912 0.000893 0.367439 O\n0.995639 0.636546 0.839678 O\n0.186096 0.433660 0.680042 O\n0.726099 0.434590 0.186609 O\n0.686096 0.066340 0.819958 O\n0.202526 0.383952 0.606672 O\n0.804904 0.002068 0.137239 O\n0.797474 0.616048 0.393328 O\n0.734699 0.616107 0.790808 O\n0.471343 0.363903 0.657808 O\n0.238683 0.246816 0.315046 O\n0.528657 0.636097 0.342192 O\n0.226055 0.116883 0.387334 O\n0.272088 0.999107 0.632561 O\n0.979006 0.995866 0.800614 O\n0.273901 0.565410 0.813391 O\n0.702526 0.116048 0.893328 O\n0.495639 0.863454 0.660322 O\n0.292785 0.116093 0.182230 O\n0.223290 0.479509 0.751494 O\n0.476978 0.012482 0.696100 O\n0.207215 0.616093 0.682230 O\n0.221373 0.124551 0.788678 O\n0.023022 0.512482 0.196100 O\n0.195096 0.997932 0.862761 O\n0.020994 0.004134 0.199386 O\n0.721373 0.375449 0.711322 O\n0.773945 0.883117 0.612666 O\n",
"nsites": 164,
"nelements": 4,
"elements": [
"Rb",
"Si",
"Ge",
"O"
],
"chemical_system": "Ge-O-Rb-Si",
"density": 3.3514909299702347,
"density_atomic": 0.04292923865735822,
"volume": 3820.2401237295144,
"volume_molar": 14.028063269572531,
"formula_full": "Rb56 Si24 Ge16 O68",
"formula_reduced": "Rb14Si6Ge4O17",
"formula_anonymous": "A4B6C14D17",
"energy": -959.29854553,
"energy_per_atom": -5.849381375182927,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -912.58254553,
"band_gap": 1.1925,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0079801,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:56.798000Z",
"spacegroup": 14
},
{
"id": "mp-861513",
"created_at": "2022-09-04T14:43:54.859649Z",
"structure_string": "Rb10 Si2 H2 O10\n1.0\n5.511038 3.746511 0.000000\n-5.511038 3.746511 0.000000\n0.000000 3.529938 11.656719\nRb Si H O\n10 2 2 10\ndirect\n0.267038 0.267038 0.968302 Rb\n0.614344 0.093119 0.802153 Rb\n0.093119 0.614344 0.802153 Rb\n0.786850 0.786850 0.602338 Rb\n0.693581 0.306419 0.500000 Rb\n0.306419 0.693581 0.500000 Rb\n0.213150 0.213150 0.397662 Rb\n0.906881 0.385656 0.197847 Rb\n0.385656 0.906881 0.197847 Rb\n0.732962 0.732962 0.031698 Rb\n0.169755 0.169755 0.695299 Si\n0.830245 0.830245 0.304701 Si\n0.783055 0.216945 0.000000 H\n0.216945 0.783055 0.000000 H\n0.694661 0.305339 0.000000 O\n0.305339 0.694661 0.000000 O\n0.021018 0.021018 0.827392 O\n0.390263 0.390263 0.700459 O\n0.252843 0.005979 0.625056 O\n0.005979 0.252843 0.625056 O\n0.994021 0.747157 0.374944 O\n0.747157 0.994021 0.374944 O\n0.609737 0.609737 0.299541 O\n0.978982 0.978982 0.172608 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Rb",
"Si",
"H",
"O"
],
"chemical_system": "H-O-Rb-Si",
"density": 3.701050039527692,
"density_atomic": 0.04985910759605215,
"volume": 481.3563891765348,
"volume_molar": 12.078316380610138,
"formula_full": "Rb10 Si2 H2 O10",
"formula_reduced": "Rb5SiHO5",
"formula_anonymous": "ABC5D5",
"energy": -126.61940928,
"energy_per_atom": -5.27580872,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -119.74940928,
"band_gap": 2.5914,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000743,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:22.787000Z",
"spacegroup": 12
},
{
"id": "mp-543079",
"created_at": "2022-09-04T14:48:25.502400Z",
"structure_string": "Rb10 Si4 Ni2 O16\n1.0\n5.190429 4.389132 0.000000\n-5.190429 4.389132 0.000000\n0.000000 2.030428 13.783192\nRb Si Ni O\n10 4 2 16\ndirect\n0.914931 0.568217 0.653065 Rb\n0.961651 0.253235 0.913906 Rb\n0.568217 0.914931 0.153065 Rb\n0.253235 0.961651 0.413906 Rb\n0.347964 0.652036 0.750000 Rb\n0.652036 0.347964 0.250000 Rb\n0.746765 0.038349 0.586094 Rb\n0.431783 0.085069 0.846935 Rb\n0.038349 0.746765 0.086094 Rb\n0.085069 0.431783 0.346935 Rb\n0.779922 0.716156 0.873624 Si\n0.716156 0.779922 0.373624 Si\n0.283844 0.220078 0.626376 Si\n0.220078 0.283844 0.126376 Si\n0.500000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.722076 0.846106 0.780705 O\n0.657814 0.762184 0.979551 O\n0.846106 0.722076 0.280705 O\n0.762184 0.657814 0.479551 O\n0.640713 0.475366 0.884338 O\n0.291870 0.985853 0.618656 O\n0.475366 0.640713 0.384338 O\n0.014147 0.708130 0.881344 O\n0.985853 0.291870 0.118656 O\n0.524634 0.359287 0.615662 O\n0.708130 0.014147 0.381344 O\n0.359287 0.524634 0.115662 O\n0.237816 0.342186 0.520449 O\n0.153894 0.277924 0.719295 O\n0.342186 0.237816 0.020449 O\n0.277924 0.153894 0.219295 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Rb",
"Si",
"Ni",
"O"
],
"chemical_system": "Ni-O-Rb-Si",
"density": 3.544221950712169,
"density_atomic": 0.05095517293947538,
"volume": 628.0029711214922,
"volume_molar": 11.818507155599505,
"formula_full": "Rb10 Si4 Ni2 O16",
"formula_reduced": "Rb5Si2NiO8",
"formula_anonymous": "AB2C5D8",
"energy": -194.42249914,
"energy_per_atom": -6.075703098125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -178.34849914,
"band_gap": 0.002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.00119,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:34.806000Z",
"spacegroup": 15
},
{
"id": "mp-1195212",
"created_at": "2022-09-04T14:39:33.397809Z",
"structure_string": "Rb16 Si40 Ni8 O96\n1.0\n0.000000 0.000000 13.898192\n13.633839 0.000000 0.000000\n-0.000000 13.808607 0.000000\nRb Si Ni O\n16 40 8 96\ndirect\n0.369459 0.627803 0.135619 Rb\n0.630541 0.127803 0.364381 Rb\n0.130541 0.372197 0.635619 Rb\n0.869459 0.872197 0.864381 Rb\n0.630541 0.372197 0.864381 Rb\n0.369459 0.872197 0.635619 Rb\n0.869459 0.627803 0.364381 Rb\n0.130541 0.127803 0.135619 Rb\n0.106212 0.875463 0.372974 Rb\n0.893788 0.375463 0.127026 Rb\n0.393788 0.124537 0.872974 Rb\n0.606212 0.624537 0.627026 Rb\n0.893788 0.124537 0.627026 Rb\n0.106212 0.624537 0.872974 Rb\n0.606212 0.875463 0.127026 Rb\n0.393788 0.375463 0.372974 Rb\n0.901882 0.634806 0.665495 Si\n0.098118 0.134806 0.834505 Si\n0.598118 0.365194 0.165495 Si\n0.401882 0.865194 0.334505 Si\n0.098118 0.365194 0.334505 Si\n0.901882 0.865194 0.165495 Si\n0.401882 0.634806 0.834505 Si\n0.598118 0.134806 0.665495 Si\n0.859064 0.087278 0.118589 Si\n0.140936 0.587278 0.381411 Si\n0.640936 0.912722 0.618589 Si\n0.359064 0.412722 0.881411 Si\n0.140936 0.912722 0.881411 Si\n0.859064 0.412722 0.618589 Si\n0.359064 0.087278 0.381411 Si\n0.640936 0.587278 0.118589 Si\n0.395506 0.168444 0.584215 Si\n0.604494 0.668444 0.915785 Si\n0.104494 0.831556 0.084215 Si\n0.895506 0.331556 0.415785 Si\n0.604494 0.831556 0.415785 Si\n0.395506 0.331556 0.084215 Si\n0.895506 0.168444 0.915785 Si\n0.104494 0.668444 0.584215 Si\n0.683748 0.402887 0.368095 Si\n0.316252 0.902887 0.131905 Si\n0.816252 0.597113 0.868095 Si\n0.183748 0.097113 0.631905 Si\n0.316252 0.597113 0.631905 Si\n0.683748 0.097113 0.868095 Si\n0.183748 0.402887 0.131905 Si\n0.816252 0.902887 0.368095 Si\n0.140110 0.340299 0.921412 Si\n0.859890 0.840299 0.578588 Si\n0.359890 0.659701 0.421412 Si\n0.640110 0.159701 0.078588 Si\n0.859890 0.659701 0.078588 Si\n0.140110 0.159701 0.421412 Si\n0.640110 0.340299 0.578588 Si\n0.359890 0.840299 0.921412 Si\n0.576924 0.883799 0.841328 Ni\n0.423076 0.383799 0.658672 Ni\n0.923076 0.116201 0.341328 Ni\n0.076924 0.616201 0.158672 Ni\n0.423076 0.116201 0.158672 Ni\n0.576924 0.616201 0.341328 Ni\n0.076924 0.883799 0.658672 Ni\n0.923076 0.383799 0.841328 Ni\n0.352960 0.966809 0.369460 O\n0.647040 0.466809 0.130540 O\n0.147040 0.033191 0.869460 O\n0.852960 0.533191 0.630540 O\n0.647040 0.033191 0.630540 O\n0.352960 0.533191 0.869460 O\n0.852960 0.966809 0.130540 O\n0.147040 0.466809 0.369460 O\n0.085979 0.602045 0.486624 O\n0.914021 0.102045 0.013376 O\n0.414021 0.397955 0.986624 O\n0.585979 0.897955 0.513376 O\n0.914021 0.397955 0.513376 O\n0.085979 0.897955 0.986624 O\n0.585979 0.602045 0.013376 O\n0.414021 0.102045 0.486624 O\n0.019471 0.867604 0.161639 O\n0.980529 0.367604 0.338361 O\n0.480529 0.132396 0.661639 O\n0.519471 0.632396 0.838361 O\n0.980529 0.132396 0.838361 O\n0.019471 0.632396 0.661639 O\n0.519471 0.867604 0.338361 O\n0.480529 0.367604 0.161639 O\n0.895094 0.216760 0.438710 O\n0.104906 0.716760 0.061290 O\n0.604906 0.783240 0.938710 O\n0.395094 0.283240 0.561290 O\n0.104906 0.783240 0.561290 O\n0.895094 0.283240 0.938710 O\n0.395094 0.216760 0.061290 O\n0.604906 0.716760 0.438710 O\n0.128450 0.155317 0.722083 O\n0.871550 0.655317 0.777917 O\n0.371550 0.844683 0.222083 O\n0.628450 0.344683 0.277917 O\n0.871550 0.844683 0.277917 O\n0.128450 0.344683 0.222083 O\n0.628450 0.155317 0.777917 O\n0.371550 0.655317 0.722083 O\n0.752491 0.878633 0.606443 O\n0.247509 0.378633 0.893557 O\n0.747509 0.121367 0.106443 O\n0.252491 0.621367 0.393557 O\n0.247509 0.121367 0.393557 O\n0.752491 0.621367 0.106443 O\n0.252491 0.878633 0.893557 O\n0.747509 0.378633 0.606443 O\n0.821399 0.480411 0.866298 O\n0.178601 0.980411 0.633702 O\n0.678601 0.519589 0.366298 O\n0.321399 0.019589 0.133702 O\n0.178601 0.519589 0.133702 O\n0.821399 0.019589 0.366298 O\n0.321399 0.480411 0.633702 O\n0.678601 0.980411 0.866298 O\n0.627209 0.148957 0.960091 O\n0.372791 0.648957 0.539909 O\n0.872791 0.851043 0.460091 O\n0.127209 0.351043 0.039909 O\n0.372791 0.851043 0.039909 O\n0.627209 0.351043 0.460091 O\n0.127209 0.148957 0.539909 O\n0.872791 0.648957 0.960091 O\n0.563198 0.398362 0.642428 O\n0.436802 0.898362 0.857572 O\n0.936802 0.601638 0.142428 O\n0.063198 0.101638 0.357572 O\n0.436802 0.601638 0.357572 O\n0.563198 0.101638 0.142428 O\n0.063198 0.398362 0.857572 O\n0.936802 0.898362 0.642428 O\n0.358844 0.719391 0.905600 O\n0.641156 0.219391 0.594400 O\n0.141156 0.280609 0.405600 O\n0.858844 0.780609 0.094400 O\n0.641156 0.280609 0.094400 O\n0.358844 0.780609 0.405600 O\n0.858844 0.719391 0.594400 O\n0.141156 0.219391 0.905600 O\n0.584325 0.644669 0.201893 O\n0.415675 0.144669 0.298107 O\n0.915675 0.355331 0.701893 O\n0.084325 0.855331 0.798107 O\n0.415675 0.355331 0.798107 O\n0.584325 0.855331 0.701893 O\n0.084325 0.644669 0.298107 O\n0.915675 0.144669 0.201893 O\n0.296509 0.367809 0.138812 O\n0.703491 0.867809 0.361188 O\n0.203491 0.632191 0.638812 O\n0.796509 0.132191 0.861188 O\n0.703491 0.632191 0.861188 O\n0.296509 0.132191 0.638812 O\n0.796509 0.367809 0.361188 O\n0.203491 0.867809 0.138812 O\n",
"nsites": 160,
"nelements": 4,
"elements": [
"Rb",
"Si",
"Ni",
"O"
],
"chemical_system": "Ni-O-Rb-Si",
"density": 2.853560981172983,
"density_atomic": 0.061149603430894865,
"volume": 2616.533730767623,
"volume_molar": 9.848209018731605,
"formula_full": "Rb16 Si40 Ni8 O96",
"formula_reduced": "Rb2Si5NiO12",
"formula_anonymous": "AB2C5D12",
"energy": -1217.53376274,
"energy_per_atom": -7.609586017124999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1131.25376274,
"band_gap": 3.8397,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 16.0000009,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:25.154000Z",
"spacegroup": 61
},
{
"id": "mp-557355",
"created_at": "2022-09-04T14:41:36.299853Z",
"structure_string": "Rb4 Si2 P8 O26\n1.0\n4.927695 0.000000 0.000000\n1.119869 7.799295 0.000000\n1.705011 1.427087 15.301883\nRb Si P O\n4 2 8 26\ndirect\n0.725420 0.696525 0.972203 Rb\n0.274580 0.303475 0.027797 Rb\n0.321891 0.257311 0.510684 Rb\n0.678109 0.742689 0.489316 Rb\n0.455220 0.056904 0.758400 Si\n0.544780 0.943097 0.241600 Si\n0.682750 0.319077 0.210756 P\n0.317250 0.680923 0.789244 P\n0.106645 0.794220 0.150059 P\n0.328006 0.597648 0.305545 P\n0.979988 0.089306 0.336558 P\n0.020012 0.910694 0.663442 P\n0.893355 0.205780 0.849941 P\n0.671994 0.402352 0.694455 P\n0.805575 0.276563 0.935681 O\n0.289696 0.017797 0.327542 O\n0.512430 0.590616 0.711560 O\n0.487570 0.409384 0.288440 O\n0.459461 0.274769 0.710752 O\n0.798726 0.870878 0.156888 O\n0.549370 0.161742 0.194487 O\n0.194425 0.723437 0.064319 O\n0.283707 0.928754 0.172707 O\n0.716293 0.071246 0.827293 O\n0.738174 0.437497 0.132005 O\n0.450630 0.838258 0.805513 O\n0.201274 0.129122 0.843112 O\n0.710304 0.982203 0.672458 O\n0.182604 0.580873 0.394609 O\n0.115751 0.846883 0.576647 O\n0.869861 0.362106 0.771006 O\n0.046137 0.751490 0.741805 O\n0.817396 0.419127 0.605391 O\n0.540539 0.725231 0.289248 O\n0.261826 0.562503 0.867995 O\n0.953863 0.248510 0.258195 O\n0.884249 0.153117 0.423353 O\n0.806105 0.956027 0.310844 O\n0.193895 0.043973 0.689156 O\n0.130139 0.637894 0.228994 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Rb",
"Si",
"P",
"O"
],
"chemical_system": "O-P-Rb-Si",
"density": 2.998158605460987,
"density_atomic": 0.06801676114963219,
"volume": 588.0903372038365,
"volume_molar": 8.85390697559342,
"formula_full": "Rb4 Si2 P8 O26",
"formula_reduced": "Rb2SiP4O13",
"formula_anonymous": "AB2C4D13",
"energy": -296.20291906,
"energy_per_atom": -7.4050729765,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -278.34091906,
"band_gap": 5.1986,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0065954,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:27.776000Z",
"spacegroup": 2
},
{
"id": "mp-1020711",
"created_at": "2022-09-04T14:43:57.884975Z",
"structure_string": "Rb4 Si2 S12 O42\n1.0\n4.888561 -8.467236 0.000000\n4.888561 8.467236 0.000000\n0.000000 0.000000 11.513725\nRb Si S O\n4 2 12 42\ndirect\n0.333333 0.666667 0.565037 Rb\n0.666667 0.333333 0.434963 Rb\n0.333333 0.666667 0.121144 Rb\n0.666667 0.333333 0.878856 Rb\n0.000000 0.000000 0.762048 Si\n0.000000 0.000000 0.237952 Si\n0.670394 0.757565 0.337922 S\n0.087171 0.329606 0.337922 S\n0.242435 0.912829 0.337922 S\n0.329606 0.242435 0.662078 S\n0.912829 0.670394 0.662078 S\n0.757565 0.087171 0.662078 S\n0.660060 0.860133 0.848596 S\n0.200073 0.339940 0.848596 S\n0.139867 0.799927 0.848596 S\n0.339940 0.139867 0.151404 S\n0.799927 0.660060 0.151404 S\n0.860133 0.200073 0.151404 S\n0.675979 0.023845 0.792400 O\n0.347866 0.324021 0.792400 O\n0.976155 0.652134 0.792400 O\n0.324021 0.976155 0.207600 O\n0.652134 0.675979 0.207600 O\n0.023845 0.347866 0.207600 O\n0.832732 0.904197 0.332333 O\n0.071465 0.167268 0.332333 O\n0.095803 0.928535 0.332333 O\n0.167268 0.095803 0.667667 O\n0.928535 0.832732 0.667667 O\n0.904197 0.071465 0.667667 O\n0.832482 0.901917 0.856149 O\n0.069435 0.167518 0.856149 O\n0.098083 0.930565 0.856149 O\n0.167518 0.098083 0.143851 O\n0.930565 0.832482 0.143851 O\n0.901917 0.069435 0.143851 O\n0.547310 0.796630 0.334872 O\n0.249320 0.452690 0.334872 O\n0.203370 0.750680 0.334872 O\n0.452690 0.203370 0.665128 O\n0.750680 0.547310 0.665128 O\n0.796630 0.249320 0.665128 O\n0.600548 0.856735 0.962727 O\n0.256187 0.399452 0.962727 O\n0.143265 0.743813 0.962727 O\n0.399452 0.143265 0.037273 O\n0.743813 0.600548 0.037273 O\n0.856735 0.256187 0.037273 O\n0.571036 0.732939 0.769367 O\n0.161903 0.428964 0.769367 O\n0.267061 0.838097 0.769367 O\n0.428964 0.267061 0.230633 O\n0.838097 0.571036 0.230633 O\n0.732939 0.161903 0.230633 O\n0.665246 0.650383 0.424941 O\n0.985137 0.334754 0.424941 O\n0.349617 0.014863 0.424941 O\n0.334754 0.349617 0.575059 O\n0.014863 0.665246 0.575059 O\n0.650383 0.985137 0.575059 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
"Rb",
"Si",
"S",
"O"
],
"chemical_system": "O-Rb-S-Si",
"density": 2.5344454193876707,
"density_atomic": 0.06294811057225555,
"volume": 953.1660196715271,
"volume_molar": 9.566833230184775,
"formula_full": "Rb4 Si2 S12 O42",
"formula_reduced": "Rb2Si(S2O7)3",
"formula_anonymous": "AB2C6D21",
"energy": -391.12832544,
"energy_per_atom": -6.518805424000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -362.27432544,
"band_gap": 5.0347,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010606,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:21.102000Z",
"spacegroup": 147
},
{
"id": "mp-17382",
"created_at": "2022-09-04T14:46:12.960701Z",
"structure_string": "Rb4 Si6 Sn2 O18\n1.0\n3.549087 -6.147199 0.000000\n3.549087 6.147199 0.000000\n0.000000 0.000000 10.197646\nRb Si Sn O\n4 6 2 18\ndirect\n0.333333 0.666667 0.060787 Rb\n0.666667 0.333333 0.560787 Rb\n0.333333 0.666667 0.439213 Rb\n0.666667 0.333333 0.939213 Rb\n0.615787 0.755291 0.750000 Si\n0.860496 0.615787 0.250000 Si\n0.755291 0.139504 0.250000 Si\n0.244709 0.860496 0.750000 Si\n0.139504 0.384213 0.750000 Si\n0.384213 0.244709 0.250000 Si\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.257290 0.221721 0.385995 O\n0.035569 0.257290 0.885995 O\n0.221721 0.964431 0.885995 O\n0.778279 0.035569 0.385995 O\n0.964431 0.742710 0.385995 O\n0.742710 0.778279 0.885995 O\n0.742710 0.778279 0.614005 O\n0.964431 0.742710 0.114005 O\n0.778279 0.035569 0.114005 O\n0.221721 0.964431 0.614005 O\n0.035569 0.257290 0.614005 O\n0.257290 0.221721 0.114005 O\n0.497625 0.088653 0.250000 O\n0.408972 0.497625 0.750000 O\n0.088653 0.591028 0.750000 O\n0.911347 0.408972 0.250000 O\n0.591028 0.502375 0.250000 O\n0.502375 0.911347 0.750000 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Rb",
"Si",
"Sn",
"O"
],
"chemical_system": "O-Rb-Si-Sn",
"density": 3.865435148056876,
"density_atomic": 0.06742134455083724,
"volume": 444.9629445965634,
"volume_molar": 8.932098284481953,
"formula_full": "Rb4 Si6 Sn2 O18",
"formula_reduced": "Rb2Si3SnO9",
"formula_anonymous": "AB2C3D9",
"energy": -219.52080197,
"energy_per_atom": -7.317360065666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -207.15480197,
"band_gap": 4.0754,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002533,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.151000Z",
"spacegroup": 176
},
{
"id": "mp-1111725",
"created_at": "2022-09-04T14:43:57.565122Z",
"structure_string": "Rb2 Sm1 Ag1 Cl6\n1.0\n0.000000 5.438192 5.438192\n5.438192 0.000000 5.438192\n5.438192 5.438192 0.000000\nRb Sm Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Ag\n0.752626 0.247374 0.247374 Cl\n0.247374 0.247374 0.752626 Cl\n0.247374 0.752626 0.752626 Cl\n0.247374 0.752626 0.247374 Cl\n0.752626 0.247374 0.752626 Cl\n0.752626 0.752626 0.247374 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Sm",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-Rb-Sm",
"density": 3.3136799014118874,
"density_atomic": 0.031088974335744493,
"volume": 321.65744331110074,
"volume_molar": 19.370664001211694,
"formula_full": "Rb2 Sm1 Ag1 Cl6",
"formula_reduced": "Rb2SmAgCl6",
"formula_anonymous": "ABC2D6",
"energy": -42.24891489,
"energy_per_atom": -4.224891489,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.56491489,
"band_gap": 3.7291,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011476,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.298000Z",
"spacegroup": 225
},
{
"id": "mp-18710",
"created_at": "2022-09-04T14:42:50.600850Z",
"structure_string": "Rb2 Sm4 Ag6 Se10\n1.0\n2.191644 -7.742542 0.000000\n2.191644 7.742542 0.000000\n0.000000 0.000000 17.677296\nRb Sm Ag Se\n2 4 6 10\ndirect\n0.436020 0.563980 0.250000 Rb\n0.563980 0.436020 0.750000 Rb\n0.309246 0.690754 0.904895 Sm\n0.309246 0.690754 0.595105 Sm\n0.690754 0.309246 0.404895 Sm\n0.690754 0.309246 0.095105 Sm\n0.085812 0.914188 0.963349 Ag\n0.085812 0.914188 0.536651 Ag\n0.914188 0.085812 0.463349 Ag\n0.161170 0.838830 0.250000 Ag\n0.838830 0.161170 0.750000 Ag\n0.914188 0.085812 0.036651 Ag\n0.678769 0.321231 0.571150 Se\n0.935284 0.064716 0.880533 Se\n0.321231 0.678769 0.428850 Se\n0.321231 0.678769 0.071150 Se\n0.678769 0.321231 0.928850 Se\n0.757229 0.242771 0.250000 Se\n0.242771 0.757229 0.750000 Se\n0.935284 0.064716 0.619467 Se\n0.064716 0.935284 0.380533 Se\n0.064716 0.935284 0.119467 Se\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Rb",
"Sm",
"Ag",
"Se"
],
"chemical_system": "Ag-Rb-Se-Sm",
"density": 6.114792629344635,
"density_atomic": 0.036671043671253296,
"volume": 599.9283848374887,
"volume_molar": 16.42205990641276,
"formula_full": "Rb2 Sm4 Ag6 Se10",
"formula_reduced": "RbSm2Ag3Se5",
"formula_anonymous": "AB2C3D5",
"energy": -102.23895536,
"energy_per_atom": -4.647225243636364,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -97.51895536,
"band_gap": 1.0496,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0076448,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:49.866000Z",
"spacegroup": 63
},
{
"id": "mp-1190504",
"created_at": "2022-09-04T14:46:31.713608Z",
"structure_string": "Rb2 Sm4 Ag6 Te10\n1.0\n4.633888 0.000000 0.000000\n-2.316944 8.157943 0.000000\n0.000000 0.000000 18.710287\nRb Sm Ag Te\n2 4 6 10\ndirect\n0.441830 0.883660 0.250000 Rb\n0.558170 0.116340 0.750000 Rb\n0.309731 0.619463 0.905977 Sm\n0.690269 0.380537 0.094023 Sm\n0.309731 0.619463 0.594023 Sm\n0.690269 0.380537 0.405977 Sm\n0.163985 0.327970 0.250000 Ag\n0.836015 0.672030 0.750000 Ag\n0.913742 0.827484 0.471169 Ag\n0.086258 0.172516 0.528831 Ag\n0.913742 0.827484 0.028831 Ag\n0.086258 0.172516 0.971169 Ag\n0.939893 0.879787 0.877720 Te\n0.060107 0.120213 0.122280 Te\n0.939893 0.879787 0.622280 Te\n0.060107 0.120213 0.377720 Te\n0.673791 0.347582 0.926735 Te\n0.326209 0.652418 0.073265 Te\n0.673791 0.347582 0.573265 Te\n0.326209 0.652418 0.426735 Te\n0.760472 0.520944 0.250000 Te\n0.239528 0.479056 0.750000 Te\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Rb",
"Sm",
"Ag",
"Te"
],
"chemical_system": "Ag-Rb-Sm-Te",
"density": 6.32842223332337,
"density_atomic": 0.031103984886732435,
"volume": 707.3048704246321,
"volume_molar": 19.361315863321344,
"formula_full": "Rb2 Sm4 Ag6 Te10",
"formula_reduced": "RbSm2Ag3Te5",
"formula_anonymous": "AB2C3D5",
"energy": -93.27677549,
"energy_per_atom": -4.2398534313636365,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.05677549,
"band_gap": 1.0284999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0734594,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:33.639000Z",
"spacegroup": 63
},
{
"id": "mp-1113640",
"created_at": "2022-09-04T14:43:51.447636Z",
"structure_string": "Rb2 Sm1 Au1 Cl6\n1.0\n0.000000 5.446120 5.446120\n5.446120 0.000000 5.446120\n5.446120 5.446120 0.000000\nRb Sm Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Au\n0.752866 0.247134 0.247134 Cl\n0.247134 0.247134 0.752866 Cl\n0.247134 0.752866 0.752866 Cl\n0.247134 0.752866 0.247134 Cl\n0.752866 0.247134 0.752866 Cl\n0.752866 0.752866 0.247134 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Sm",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-Rb-Sm",
"density": 3.757189307293841,
"density_atomic": 0.030953401799207463,
"volume": 323.0662679620578,
"volume_molar": 19.4555054047539,
"formula_full": "Rb2 Sm1 Au1 Cl6",
"formula_reduced": "Rb2SmAuCl6",
"formula_anonymous": "ABC2D6",
"energy": -41.29889245,
"energy_per_atom": -4.129889244999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.61489245,
"band_gap": 2.2894,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007374,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.773000Z",
"spacegroup": 225
}
]
}