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_reduced&page=35",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_reduced&page=33",
"results": [
{
"id": "mp-680202",
"created_at": "2022-09-04T14:43:07.680045Z",
"structure_string": "Ag48 Sn24 O72\n1.0\n5.748159 0.000000 0.000000\n0.000000 12.903032 0.000000\n0.000000 0.000000 29.865679\nAg Sn O\n48 24 72\ndirect\n0.500006 0.025302 0.361091 Ag\n0.676214 0.245030 0.749255 Ag\n0.500337 0.446415 0.805643 Ag\n0.158997 0.245591 0.804216 Ag\n0.661999 0.249160 0.529441 Ag\n0.999994 0.974698 0.861091 Ag\n0.164971 0.245537 0.696438 Ag\n0.177070 0.247353 0.916283 Ag\n0.658967 0.246158 0.637521 Ag\n0.676848 0.252608 0.417163 Ag\n0.835420 0.753898 0.363020 Ag\n0.835029 0.745537 0.803562 Ag\n0.499663 0.946415 0.694357 Ag\n0.664971 0.254463 0.303562 Ag\n0.999663 0.553585 0.305643 Ag\n0.658997 0.254409 0.195784 Ag\n0.823786 0.754970 0.249255 Ag\n0.499884 0.524469 0.472150 Ag\n0.160841 0.250803 0.029489 Ag\n0.000337 0.053585 0.194357 Ag\n0.335029 0.754463 0.196438 Ag\n0.677070 0.252647 0.083717 Ag\n0.822930 0.747353 0.583717 Ag\n0.339159 0.749197 0.529489 Ag\n0.841003 0.745591 0.695784 Ag\n0.499994 0.525302 0.138909 Ag\n0.338001 0.749160 0.970559 Ag\n0.823152 0.747392 0.917163 Ag\n0.161999 0.250840 0.470559 Ag\n0.176848 0.247392 0.582837 Ag\n0.841033 0.753842 0.137521 Ag\n0.838001 0.750840 0.029441 Ag\n0.158967 0.253842 0.362479 Ag\n0.000116 0.475531 0.972150 Ag\n0.176214 0.254970 0.250745 Ag\n0.322930 0.752647 0.416283 Ag\n0.660841 0.249197 0.970511 Ag\n0.323786 0.745030 0.750745 Ag\n0.164580 0.253898 0.136980 Ag\n0.664580 0.246102 0.863020 Ag\n0.000006 0.474698 0.638909 Ag\n0.323152 0.752608 0.082837 Ag\n0.341033 0.746158 0.862479 Ag\n0.335420 0.746102 0.636980 Ag\n0.500116 0.024469 0.027850 Ag\n0.839159 0.750803 0.470511 Ag\n0.999884 0.975531 0.527850 Ag\n0.341003 0.754409 0.304216 Ag\n0.001169 0.001808 0.416686 Sn\n0.999790 0.000089 0.638958 Sn\n0.499133 0.500393 0.916600 Sn\n0.000742 0.501569 0.194476 Sn\n0.500867 0.000393 0.583400 Sn\n0.498994 0.001664 0.472247 Sn\n0.499790 0.499911 0.361042 Sn\n0.000867 0.499607 0.416600 Sn\n0.500742 0.998431 0.805524 Sn\n0.001006 0.998336 0.972247 Sn\n0.501006 0.501664 0.027753 Sn\n0.499463 0.501065 0.250028 Sn\n0.498831 0.998192 0.916686 Sn\n0.501169 0.498192 0.583314 Sn\n0.999258 0.001569 0.305524 Sn\n0.500210 0.999911 0.138958 Sn\n0.500537 0.001065 0.249972 Sn\n0.000210 0.500089 0.861042 Sn\n0.499258 0.498431 0.694476 Sn\n0.998831 0.501808 0.083314 Sn\n0.999463 0.998935 0.749972 Sn\n0.998994 0.498336 0.527753 Sn\n0.999133 0.999607 0.083400 Sn\n0.000537 0.498935 0.750028 Sn\n0.380481 0.586476 0.972079 O\n0.190771 0.085087 0.924716 O\n0.119702 0.416261 0.138993 O\n0.189107 0.416997 0.242246 O\n0.810893 0.916997 0.257754 O\n0.809887 0.915807 0.131416 O\n0.619519 0.086476 0.527921 O\n0.809369 0.583593 0.702092 O\n0.190113 0.415807 0.368584 O\n0.694766 0.090269 0.426351 O\n0.800864 0.591180 0.371988 O\n0.696270 0.091923 0.295821 O\n0.804149 0.912828 0.462489 O\n0.801752 0.592174 0.239324 O\n0.310085 0.914733 0.091259 O\n0.199136 0.091180 0.128012 O\n0.196270 0.408077 0.704179 O\n0.303730 0.591923 0.204179 O\n0.878989 0.583459 0.805482 O\n0.602380 0.092078 0.194216 O\n0.380298 0.583739 0.638993 O\n0.300864 0.908820 0.628012 O\n0.195725 0.409707 0.906914 O\n0.194766 0.409731 0.573649 O\n0.695851 0.087172 0.962489 O\n0.608063 0.411209 0.972567 O\n0.808950 0.588143 0.035546 O\n0.378989 0.916541 0.194518 O\n0.309369 0.916407 0.297908 O\n0.119519 0.413524 0.472079 O\n0.309887 0.584193 0.868584 O\n0.305234 0.590269 0.073649 O\n0.310893 0.583003 0.742246 O\n0.897620 0.907922 0.694216 O\n0.391937 0.911209 0.527433 O\n0.805234 0.909731 0.926351 O\n0.301752 0.907826 0.760676 O\n0.690631 0.416407 0.202092 O\n0.890755 0.591330 0.138858 O\n0.810085 0.585267 0.908741 O\n0.691050 0.411857 0.535546 O\n0.690113 0.084193 0.631416 O\n0.804275 0.909707 0.593086 O\n0.803730 0.908077 0.795821 O\n0.689107 0.083003 0.757754 O\n0.699136 0.408820 0.871988 O\n0.390755 0.908670 0.861142 O\n0.102380 0.407922 0.805784 O\n0.695725 0.090293 0.093086 O\n0.891937 0.588791 0.472567 O\n0.309229 0.914913 0.424716 O\n0.609245 0.408670 0.638858 O\n0.109245 0.091330 0.361142 O\n0.689915 0.414733 0.408741 O\n0.121011 0.083459 0.694518 O\n0.108063 0.088791 0.027433 O\n0.809229 0.585087 0.575284 O\n0.189915 0.085267 0.591259 O\n0.621011 0.416541 0.305482 O\n0.308950 0.911857 0.964454 O\n0.304149 0.587172 0.537511 O\n0.195851 0.412828 0.037511 O\n0.304275 0.590293 0.406914 O\n0.880298 0.916261 0.361007 O\n0.698248 0.407826 0.739324 O\n0.880481 0.913524 0.027921 O\n0.198248 0.092174 0.260676 O\n0.191050 0.088143 0.464454 O\n0.619702 0.083739 0.861007 O\n0.190631 0.083593 0.797908 O\n0.690771 0.414913 0.075284 O\n0.397620 0.592078 0.305784 O\n",
"nsites": 144,
"nelements": 3,
"elements": [
"Ag",
"Sn",
"O"
],
"chemical_system": "Ag-O-Sn",
"density": 6.880752434067318,
"density_atomic": 0.06500841121613803,
"volume": 2215.097974341091,
"volume_molar": 9.263633193522859,
"formula_full": "Ag48 Sn24 O72",
"formula_reduced": "Ag2SnO3",
"formula_anonymous": "AB2C3",
"energy": -761.6305540000001,
"energy_per_atom": -5.289101069444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -712.166554,
"band_gap": 0.1366,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001564,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:04.292000Z",
"spacegroup": 19
},
{
"id": "mp-759209",
"created_at": "2022-09-04T14:42:51.424858Z",
"structure_string": "Ag8 Sn4 O12\n1.0\n2.877423 -4.983843 0.000000\n2.877423 4.983843 0.000000\n0.000000 0.000000 12.885408\nAg Sn O\n8 4 12\ndirect\n0.000000 0.676948 0.500000 Ag\n0.000000 0.323052 0.000000 Ag\n0.333333 0.666667 0.750000 Ag\n0.323052 0.323052 0.500000 Ag\n0.323052 0.000000 0.000000 Ag\n0.676948 0.676948 0.000000 Ag\n0.666667 0.333333 0.250000 Ag\n0.676948 0.000000 0.500000 Ag\n0.333333 0.666667 0.250000 Sn\n0.000000 0.000000 0.250000 Sn\n0.000000 0.000000 0.750000 Sn\n0.666667 0.333333 0.750000 Sn\n0.052885 0.719133 0.337473 O\n0.280867 0.947115 0.162527 O\n0.052885 0.333752 0.162527 O\n0.280867 0.333752 0.337473 O\n0.666248 0.947115 0.337473 O\n0.333752 0.280867 0.662527 O\n0.666248 0.719133 0.162527 O\n0.333752 0.052885 0.837473 O\n0.719133 0.666248 0.837473 O\n0.947115 0.666248 0.662527 O\n0.719133 0.052885 0.662527 O\n0.947115 0.280867 0.837473 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ag",
"Sn",
"O"
],
"chemical_system": "Ag-O-Sn",
"density": 6.873554623522081,
"density_atomic": 0.06494040728309955,
"volume": 369.5695947112714,
"volume_molar": 9.273333833197617,
"formula_full": "Ag8 Sn4 O12",
"formula_reduced": "Ag2SnO3",
"formula_anonymous": "AB2C3",
"energy": -126.94638031,
"energy_per_atom": -5.289432512916666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -118.70238031,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010238,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.349000Z",
"spacegroup": 182
},
{
"id": "mp-1192523",
"created_at": "2022-09-04T14:40:13.030318Z",
"structure_string": "Ag4 S2 N8 O8\n1.0\n0.000000 0.000000 8.255304\n6.357208 0.000000 0.000000\n0.000000 6.357208 0.000000\nAg S N O\n4 2 8 8\ndirect\n0.955637 0.000000 0.500000 Ag\n0.544363 0.500000 0.000000 Ag\n0.044363 0.500000 0.000000 Ag\n0.455637 0.000000 0.500000 Ag\n0.500000 0.500000 0.500000 S\n0.000000 0.000000 0.000000 S\n0.008114 0.652182 0.504300 N\n0.491886 0.152182 0.995700 N\n0.008114 0.347818 0.495700 N\n0.491886 0.847818 0.004300 N\n0.991886 0.504300 0.347818 N\n0.508114 0.995700 0.847818 N\n0.991886 0.495700 0.652182 N\n0.508114 0.004300 0.152182 N\n0.611305 0.549568 0.678356 O\n0.888695 0.049568 0.821644 O\n0.611305 0.450432 0.321644 O\n0.888695 0.950432 0.178356 O\n0.388695 0.678356 0.450432 O\n0.111305 0.821644 0.950432 O\n0.388695 0.321644 0.549568 O\n0.111305 0.178356 0.049568 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ag",
"S",
"N",
"O"
],
"chemical_system": "Ag-N-O-S",
"density": 3.6614690559411596,
"density_atomic": 0.06594118807318611,
"volume": 333.6306281831451,
"volume_molar": 9.132593658027831,
"formula_full": "Ag4 S2 N8 O8",
"formula_reduced": "Ag2S(NO)4",
"formula_anonymous": "AB2C4D4",
"energy": -131.58305713,
"energy_per_atom": -5.9810480513636355,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -126.08705713,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0057929,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.850000Z",
"spacegroup": 114
},
{
"id": "mp-1197599",
"created_at": "2022-09-04T14:45:09.599122Z",
"structure_string": "Ag12 Sn6 S36 O126\n1.0\n0.000007 -0.000001 -10.613422\n-8.495337 -14.714362 0.000004\n-8.495355 14.714373 0.000007\nAg Sn S O\n12 6 36 126\ndirect\n0.436190 0.997303 0.635967 Ag\n0.436190 0.364032 0.361335 Ag\n0.436191 0.638665 0.002698 Ag\n0.563810 0.002697 0.364033 Ag\n0.563810 0.635969 0.638665 Ag\n0.563809 0.361335 0.997302 Ag\n0.923343 0.010897 0.696906 Ag\n0.923344 0.303091 0.313989 Ag\n0.923343 0.686012 0.989104 Ag\n0.076657 0.989103 0.303094 Ag\n0.076656 0.696909 0.686011 Ag\n0.076657 0.313988 0.010896 Ag\n0.218041 0.666683 0.333342 Sn\n0.781959 0.333317 0.666658 Sn\n0.275284 0.333319 0.666660 Sn\n0.724716 0.666681 0.333340 Sn\n0.743531 -0.000000 0.000000 Sn\n0.256469 0.000000 -0.000000 Sn\n0.165051 0.517233 0.841898 S\n0.165052 0.158103 0.675338 S\n0.165050 0.324667 0.482768 S\n0.834949 0.482767 0.158102 S\n0.834948 0.841897 0.324662 S\n0.834950 0.675333 0.517232 S\n0.142486 0.647095 0.139683 S\n0.142485 0.860316 0.507414 S\n0.142483 0.492587 0.352901 S\n0.857514 0.352905 0.860317 S\n0.857515 0.139684 0.492586 S\n0.857517 0.507413 0.647099 S\n0.312211 0.506572 0.126402 S\n0.312209 0.873601 0.380172 S\n0.312208 0.619826 0.493428 S\n0.687789 0.493428 0.873598 S\n0.687791 0.126399 0.619828 S\n0.687792 0.380174 0.506572 S\n0.832360 0.147827 0.937085 S\n0.832360 0.062916 0.210743 S\n0.832360 0.789257 0.852173 S\n0.167639 0.852173 0.062915 S\n0.167640 0.937084 0.789257 S\n0.167639 0.210743 0.147827 S\n0.368659 0.545552 0.744848 S\n0.368659 0.255153 0.800706 S\n0.368655 0.199295 0.454446 S\n0.631341 0.454448 0.255152 S\n0.631340 0.744847 0.199294 S\n0.631345 0.800705 0.545554 S\n0.653650 0.007887 0.821960 S\n0.653649 0.178041 0.185928 S\n0.653649 0.814072 0.992112 S\n0.346350 0.992113 0.178040 S\n0.346351 0.821959 0.814072 S\n0.346351 0.185928 0.007888 S\n0.107431 0.677305 0.238121 O\n0.107429 0.761881 0.439188 O\n0.107433 0.560815 0.322694 O\n0.892569 0.322695 0.761879 O\n0.892571 0.238119 0.560812 O\n0.892567 0.439185 0.677306 O\n0.157861 0.415467 0.774879 O\n0.157857 0.225119 0.640588 O\n0.157861 0.359412 0.584533 O\n0.842139 0.584533 0.225121 O\n0.842143 0.774881 0.359412 O\n0.842139 0.640588 0.415467 O\n0.858123 0.081231 0.970656 O\n0.858124 0.029344 0.110575 O\n0.858124 0.889425 0.918769 O\n0.141877 0.918769 0.029344 O\n0.141876 0.970656 0.889425 O\n0.141876 0.110575 0.081231 O\n0.218792 0.558051 0.777919 O\n0.218791 0.222082 0.780131 O\n0.218793 0.219868 0.441951 O\n0.781208 0.441949 0.222081 O\n0.781209 0.777918 0.219869 O\n0.781207 0.780132 0.558049 O\n0.332116 0.575806 0.226363 O\n0.332120 0.773640 0.349444 O\n0.332120 0.650555 0.424194 O\n0.667884 0.424194 0.773637 O\n0.667880 0.226360 0.650556 O\n0.667880 0.349445 0.575806 O\n0.628430 0.978510 0.891949 O\n0.628431 0.108051 0.086561 O\n0.628430 0.913439 0.021490 O\n0.371570 0.021490 0.108051 O\n0.371569 0.891949 0.913439 O\n0.371570 0.086561 0.978510 O\n0.692529 0.115869 0.886565 O\n0.692529 0.113434 0.229304 O\n0.692529 0.770696 0.884131 O\n0.307471 0.884131 0.113435 O\n0.307471 0.886566 0.770696 O\n0.307471 0.229304 0.115869 O\n0.760595 0.961112 0.765328 O\n0.760595 0.234672 0.195784 O\n0.760595 0.804216 0.038888 O\n0.239405 0.038888 0.234672 O\n0.239405 0.765328 0.804216 O\n0.239405 0.195784 0.961112 O\n0.536563 0.011079 0.781770 O\n0.536562 0.218230 0.229309 O\n0.536563 0.770691 0.988920 O\n0.463437 0.988921 0.218230 O\n0.463438 0.781770 0.770691 O\n0.463437 0.229309 0.011080 O\n0.364806 0.570093 0.675255 O\n0.364806 0.324748 0.894837 O\n0.364806 0.105164 0.429913 O\n0.635194 0.429907 0.324745 O\n0.635194 0.675252 0.105163 O\n0.635194 0.894836 0.570087 O\n0.254537 0.537802 0.913319 O\n0.254538 0.086683 0.624481 O\n0.254538 0.375517 0.462199 O\n0.745463 0.462198 0.086681 O\n0.745462 0.913317 0.375519 O\n0.745462 0.624483 0.537801 O\n0.276784 0.418098 0.109576 O\n0.276783 0.890419 0.308520 O\n0.276784 0.691479 0.581900 O\n0.723216 0.581902 0.890424 O\n0.723217 0.109581 0.691480 O\n0.723216 0.308521 0.418100 O\n0.252162 0.692879 0.132494 O\n0.252164 0.867504 0.560383 O\n0.252163 0.439615 0.307123 O\n0.747838 0.307121 0.867506 O\n0.747836 0.132496 0.439617 O\n0.747837 0.560385 0.692877 O\n0.179664 0.539644 0.098932 O\n0.179665 0.901064 0.440709 O\n0.179666 0.559289 0.460357 O\n0.820336 0.460356 0.901068 O\n0.820335 0.098936 0.559291 O\n0.820334 0.440711 0.539643 O\n0.414143 0.513828 0.074242 O\n0.414145 0.925753 0.439585 O\n0.414145 0.560413 0.486170 O\n0.585857 0.486172 0.925758 O\n0.585855 0.074247 0.560415 O\n0.585855 0.439587 0.513830 O\n0.029114 0.641999 0.091318 O\n0.029113 0.908679 0.550678 O\n0.029115 0.449316 0.358002 O\n0.970886 0.358001 0.908682 O\n0.970887 0.091321 0.449322 O\n0.970885 0.550684 0.641998 O\n0.040146 0.553705 0.864194 O\n0.040146 0.135810 0.689510 O\n0.040146 0.310490 0.446297 O\n0.959854 0.446295 0.135806 O\n0.959854 0.864190 0.310490 O\n0.959854 0.689510 0.553703 O\n0.392174 0.444253 0.705691 O\n0.392176 0.294310 0.738564 O\n0.392178 0.261437 0.555746 O\n0.607826 0.555747 0.294309 O\n0.607824 0.705690 0.261436 O\n0.607822 0.738563 0.444254 O\n0.924730 0.134664 0.869230 O\n0.924730 0.130770 0.265434 O\n0.924730 0.734566 0.865336 O\n0.075270 0.865336 0.130770 O\n0.075270 0.869230 0.734566 O\n0.075270 0.265434 0.134664 O\n0.808562 0.238595 0.008933 O\n0.808562 0.991067 0.229661 O\n0.808562 0.770338 0.761405 O\n0.191438 0.761405 0.991067 O\n0.191438 0.008933 0.770339 O\n0.191438 0.229662 0.238595 O\n0.446485 0.597588 0.823098 O\n0.446486 0.176904 0.774486 O\n0.446486 0.225514 0.402418 O\n0.553515 0.402412 0.176902 O\n0.553514 0.823096 0.225514 O\n0.553514 0.774486 0.597582 O\n",
"nsites": 180,
"nelements": 4,
"elements": [
"Ag",
"Sn",
"S",
"O"
],
"chemical_system": "Ag-O-S-Sn",
"density": 3.239771387457854,
"density_atomic": 0.06783665216084928,
"volume": 2653.432831166215,
"volume_molar": 8.877414448049034,
"formula_full": "Ag12 Sn6 S36 O126",
"formula_reduced": "Ag2Sn(S2O7)3",
"formula_anonymous": "AB2C6D21",
"energy": -1121.5633885900002,
"energy_per_atom": -6.23090771438889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1035.00138859,
"band_gap": 2.4704,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003884,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:51.023000Z",
"spacegroup": 147
},
{
"id": "mp-1096812",
"created_at": "2022-09-04T14:46:12.630225Z",
"structure_string": "Ag16 Sn8 Se24\n1.0\n6.487325 3.758764 0.000000\n-6.487325 3.758764 0.000000\n0.000000 2.550418 28.407313\nAg Sn Se\n16 8 24\ndirect\n0.853547 0.684875 0.985628 Ag\n0.684875 0.853547 0.485628 Ag\n0.519777 0.024423 0.985441 Ag\n0.024423 0.519777 0.485441 Ag\n0.886601 0.375370 0.860489 Ag\n0.375370 0.886601 0.360489 Ag\n0.226404 0.062312 0.859838 Ag\n0.062312 0.226404 0.359838 Ag\n0.916148 0.096929 0.735571 Ag\n0.096929 0.916148 0.235571 Ag\n0.586141 0.423668 0.735455 Ag\n0.423668 0.586141 0.235455 Ag\n0.632374 0.125857 0.609692 Ag\n0.125857 0.632374 0.109692 Ag\n0.292284 0.471778 0.610394 Ag\n0.471778 0.292284 0.110394 Ag\n0.167365 0.331020 0.980999 Sn\n0.331020 0.167365 0.480999 Sn\n0.563623 0.714100 0.856345 Sn\n0.714100 0.563623 0.356345 Sn\n0.273080 0.758237 0.730919 Sn\n0.758237 0.273080 0.230919 Sn\n0.957546 0.788226 0.606310 Sn\n0.788226 0.957546 0.106310 Sn\n0.305103 0.141950 0.576150 Se\n0.141950 0.305103 0.076150 Se\n0.517159 0.685236 0.951314 Se\n0.685236 0.517159 0.451314 Se\n0.942198 0.772450 0.701342 Se\n0.772450 0.942198 0.201342 Se\n0.594391 0.101472 0.702438 Se\n0.101472 0.594391 0.202438 Se\n0.264417 0.432843 0.703671 Se\n0.432843 0.264417 0.203671 Se\n0.235128 0.729052 0.826107 Se\n0.729052 0.235128 0.326107 Se\n0.893758 0.051814 0.828435 Se\n0.051814 0.893758 0.328435 Se\n0.863157 0.362241 0.953253 Se\n0.362241 0.863157 0.453253 Se\n0.968258 0.474121 0.577928 Se\n0.474121 0.968258 0.077928 Se\n0.572433 0.398930 0.828081 Se\n0.398930 0.572433 0.328081 Se\n0.193923 0.024355 0.953043 Se\n0.024355 0.193923 0.453043 Se\n0.644728 0.803594 0.578527 Se\n0.803594 0.644728 0.078527 Se\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Ag",
"Sn",
"Se"
],
"chemical_system": "Ag-Se-Sn",
"density": 5.478384507492141,
"density_atomic": 0.03464737773670758,
"volume": 1385.3862293637833,
"volume_molar": 17.38123100040489,
"formula_full": "Ag16 Sn8 Se24",
"formula_reduced": "Ag2SnSe3",
"formula_anonymous": "AB2C3",
"energy": -184.1694759,
"energy_per_atom": -3.8368640812500003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -172.8414759,
"band_gap": 0.0586000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0106126,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.389000Z",
"spacegroup": 9
},
{
"id": "mp-1215021",
"created_at": "2022-09-04T14:42:48.813079Z",
"structure_string": "Ag8 S4 O8\n1.0\n-4.036941 -5.149532 0.000000\n-4.036941 5.149532 0.000000\n4.036941 0.000000 -9.289199\nAg S O\n8 4 8\ndirect\n0.445720 0.186964 0.714808 Ag\n0.269088 0.527844 0.714808 Ag\n0.813036 0.554280 0.285192 Ag\n0.804280 0.563036 0.785192 Ag\n0.472156 0.730912 0.285192 Ag\n0.980912 0.222156 0.785192 Ag\n0.436964 0.195720 0.214808 Ag\n0.777844 0.019088 0.214808 Ag\n0.625000 0.875000 0.750000 S\n0.125000 0.875000 0.750000 S\n0.125000 0.375000 0.250000 S\n0.125000 0.875000 0.250000 S\n0.681357 0.948408 0.914208 O\n0.232850 0.965800 0.914208 O\n0.051592 0.318643 0.085792 O\n0.568643 0.801592 0.585792 O\n0.034200 0.767150 0.085792 O\n0.017150 0.784200 0.585792 O\n0.198408 0.431357 0.414208 O\n0.215800 0.982850 0.414208 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ag",
"S",
"O"
],
"chemical_system": "Ag-O-S",
"density": 4.812033958245735,
"density_atomic": 0.05178471253499856,
"volume": 386.2143675410586,
"volume_molar": 11.629186424333149,
"formula_full": "Ag8 S4 O8",
"formula_reduced": "Ag2SO2",
"formula_anonymous": "AB2C2",
"energy": -81.25700295,
"energy_per_atom": -4.0628501475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.76100295,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0080521,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.396000Z",
"spacegroup": 70
},
{
"id": "mp-30982",
"created_at": "2022-09-04T14:44:29.391795Z",
"structure_string": "Ag8 S4 O12\n1.0\n8.110160 0.000000 0.000000\n0.000000 4.717897 0.000000\n0.000000 3.890644 9.755909\nAg S O\n8 4 12\ndirect\n0.112774 0.127652 0.565630 Ag\n0.387226 0.127652 0.065630 Ag\n0.887226 0.872348 0.434370 Ag\n0.612774 0.872348 0.934370 Ag\n0.021387 0.432467 0.201438 Ag\n0.521387 0.567533 0.298562 Ag\n0.978613 0.567533 0.798562 Ag\n0.478613 0.432467 0.701438 Ag\n0.211983 0.806633 0.879339 S\n0.788017 0.193367 0.120661 S\n0.711983 0.193367 0.620661 S\n0.288017 0.806633 0.379339 S\n0.120609 0.657484 0.373092 O\n0.620609 0.342516 0.126908 O\n0.879391 0.342516 0.626908 O\n0.379391 0.657484 0.873092 O\n0.196597 0.806122 0.024609 O\n0.696597 0.193878 0.475391 O\n0.803403 0.193878 0.975391 O\n0.224236 0.139806 0.783171 O\n0.275764 0.139806 0.283171 O\n0.775764 0.860194 0.216829 O\n0.724236 0.860194 0.716829 O\n0.303403 0.806122 0.524609 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ag",
"S",
"O"
],
"chemical_system": "Ag-O-S",
"density": 5.263335487388361,
"density_atomic": 0.06429328609594381,
"volume": 373.28936592516357,
"volume_molar": 9.366671274218678,
"formula_full": "Ag8 S4 O12",
"formula_reduced": "Ag2SO3",
"formula_anonymous": "AB2C3",
"energy": -123.91430921,
"energy_per_atom": -5.163096217083333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -115.67030921,
"band_gap": 2.3467,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0028491,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:42.820000Z",
"spacegroup": 14
},
{
"id": "mp-5625",
"created_at": "2022-09-04T14:43:20.570479Z",
"structure_string": "Ag4 S2 O8\n1.0\n0.000000 5.717141 6.244763\n2.850083 0.000000 6.244763\n2.850083 5.717141 0.000000\nAg S O\n4 2 8\ndirect\n0.949771 0.550229 0.949771 Ag\n0.550229 0.949771 0.550229 Ag\n0.300229 0.699771 0.300229 Ag\n0.699771 0.300229 0.699771 Ag\n0.250000 0.250000 0.250000 S\n0.000000 0.000000 0.000000 S\n0.954098 0.407489 0.391778 O\n0.246636 0.391778 0.407489 O\n0.391778 0.246636 0.954098 O\n0.407489 0.954098 0.246636 O\n0.295902 0.842511 0.858222 O\n0.003364 0.858222 0.842511 O\n0.842511 0.295902 0.003364 O\n0.858222 0.003364 0.295902 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ag",
"S",
"O"
],
"chemical_system": "Ag-O-S",
"density": 5.088285177881255,
"density_atomic": 0.06879322481845142,
"volume": 203.5084128843598,
"volume_molar": 8.753973630241518,
"formula_full": "Ag4 S2 O8",
"formula_reduced": "Ag2SO4",
"formula_anonymous": "AB2C4",
"energy": -76.82281334,
"energy_per_atom": -5.48734381,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.32681334,
"band_gap": 1.2289,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004428,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:11.160000Z",
"spacegroup": 70
},
{
"id": "mp-660503",
"created_at": "2022-09-04T14:44:40.252882Z",
"structure_string": "Ag4 S2 O8\n1.0\n0.000000 5.717141 6.244763\n2.850083 0.000000 6.244763\n2.850083 5.717141 0.000000\nAg S O\n4 2 8\ndirect\n0.822546 0.426174 0.833987 Ag\n0.428005 0.817531 0.419326 Ag\n0.177272 0.576862 0.179880 Ag\n0.575859 0.181528 0.574834 Ag\n0.126329 0.124255 0.131846 S\n0.870467 0.872328 0.875830 S\n0.276572 0.113752 0.825642 O\n0.291636 0.822896 0.111618 O\n0.836183 0.282937 0.260982 O\n0.126336 0.257189 0.278210 O\n0.740637 0.874746 0.160384 O\n0.707788 0.180544 0.883021 O\n0.888724 0.726818 0.709261 O\n0.166917 0.724240 0.741054 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ag",
"S",
"O"
],
"chemical_system": "Ag-O-S",
"density": 5.088285177881255,
"density_atomic": 0.06879322481845142,
"volume": 203.5084128843598,
"volume_molar": 8.753973630241518,
"formula_full": "Ag4 S2 O8",
"formula_reduced": "Ag2SO4",
"formula_anonymous": "AB2C4",
"energy": -76.39451088,
"energy_per_atom": -5.456750777142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.89851088,
"band_gap": 1.321,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002554,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.459000Z",
"spacegroup": 1
},
{
"id": "mp-685048",
"created_at": "2022-09-04T14:40:36.122232Z",
"structure_string": "Ag14 Te7\n1.0\n4.718277 0.000000 0.000000\n-2.268200 4.191750 0.000000\n-0.927986 -1.869988 27.112110\nAg Te\n14 7\ndirect\n0.780836 0.564800 0.800842 Ag\n0.998404 0.996345 0.886161 Ag\n0.227770 0.475313 0.744364 Ag\n0.256802 0.491425 0.639597 Ag\n0.588071 0.123809 0.608312 Ag\n0.408539 0.138652 0.508271 Ag\n0.804560 0.664916 0.452151 Ag\n0.764771 0.524800 0.256835 Ag\n0.122976 0.227487 0.329581 Ag\n0.063290 0.125257 0.101618 Ag\n0.094576 0.186602 0.217508 Ag\n0.420190 0.838277 0.183720 Ag\n0.380375 0.757916 0.054044 Ag\n0.702173 0.399896 0.022418 Ag\n0.025508 0.043059 0.993769 Te\n0.314438 0.618432 0.859410 Te\n0.558106 0.137256 0.712732 Te\n0.889622 0.748100 0.571190 Te\n0.125252 0.309227 0.429666 Te\n0.439029 0.872033 0.294486 Te\n0.742140 0.483256 0.143609 Te\n",
"nsites": 21,
"nelements": 2,
"elements": [
"Ag",
"Te"
],
"chemical_system": "Ag-Te",
"density": 7.442603141210368,
"density_atomic": 0.03916310978329938,
"volume": 536.2189089732396,
"volume_molar": 15.37707499052608,
"formula_full": "Ag14 Te7",
"formula_reduced": "Ag2Te",
"formula_anonymous": "AB2",
"energy": -64.59033013999999,
"energy_per_atom": -3.0757300066666664,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.636330140000005,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0093487,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.739000Z",
"spacegroup": 1
},
{
"id": "mp-684798",
"created_at": "2022-09-04T14:39:24.011270Z",
"structure_string": "Ag8 Te4\n1.0\n9.631441 0.000000 0.000000\n0.000000 4.782292 0.000000\n0.000000 4.726770 6.845136\nAg Te\n8 4\ndirect\n0.375292 0.331821 0.332792 Ag\n0.624708 0.331821 0.832792 Ag\n0.373056 0.752880 0.755970 Ag\n0.875287 0.252641 0.250661 Ag\n0.626944 0.752880 0.255970 Ag\n0.124713 0.252641 0.750661 Ag\n0.876413 0.753444 0.750013 Ag\n0.123587 0.753444 0.250013 Ag\n0.369936 0.001379 0.994087 Te\n0.630064 0.001379 0.494087 Te\n0.879631 0.991134 0.999777 Te\n0.120369 0.991134 0.499777 Te\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ag",
"Te"
],
"chemical_system": "Ag-Te",
"density": 7.233017204853318,
"density_atomic": 0.03806026486750128,
"volume": 315.2894506061754,
"volume_molar": 15.822645430778797,
"formula_full": "Ag8 Te4",
"formula_reduced": "Ag2Te",
"formula_anonymous": "AB2",
"energy": -37.23115609,
"energy_per_atom": -3.1025963408333332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.54315609,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0013418,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.095000Z",
"spacegroup": 7
},
{
"id": "mp-1592",
"created_at": "2022-09-04T14:47:03.071316Z",
"structure_string": "Ag8 Te4\n1.0\n4.532783 0.000000 0.000000\n0.000000 8.045710 0.000000\n0.000000 4.855164 7.767704\nAg Te\n8 4\ndirect\n0.126477 0.031815 0.342930 Ag\n0.626477 0.968185 0.157070 Ag\n0.873523 0.968185 0.657070 Ag\n0.373523 0.031815 0.842930 Ag\n0.857178 0.334917 0.655456 Ag\n0.357178 0.665083 0.844544 Ag\n0.142822 0.665083 0.344544 Ag\n0.642822 0.334917 0.155456 Ag\n0.145651 0.272696 0.970054 Te\n0.645651 0.727304 0.529946 Te\n0.854349 0.727304 0.029946 Te\n0.354349 0.272696 0.470054 Te\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ag",
"Te"
],
"chemical_system": "Ag-Te",
"density": 8.050205501617343,
"density_atomic": 0.04236032418446123,
"volume": 283.283950985481,
"volume_molar": 14.21646523236256,
"formula_full": "Ag8 Te4",
"formula_reduced": "Ag2Te",
"formula_anonymous": "AB2",
"energy": -37.66392184,
"energy_per_atom": -3.1386601533333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.97592184,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011891,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:52.183000Z",
"spacegroup": 14
}
]
}