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=10369",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=10367",
"results": [
{
"id": "mp-568392",
"created_at": "2022-09-04T14:44:55.188854Z",
"structure_string": "Ag40 Te16 Br12\n1.0\n7.818473 -8.000252 0.000000\n7.818473 8.000252 0.000000\n0.000000 0.000000 13.955313\nAg Te Br\n40 16 12\ndirect\n0.832111 0.360648 0.100182 Ag\n0.374421 0.625579 0.250000 Ag\n0.848615 0.370834 0.634551 Ag\n0.848615 0.370834 0.865449 Ag\n0.398530 0.325217 0.644880 Ag\n0.325217 0.398530 0.144880 Ag\n0.937353 0.877800 0.750000 Ag\n0.167889 0.639352 0.899818 Ag\n0.639352 0.167889 0.399818 Ag\n0.858768 0.141232 0.750000 Ag\n0.360648 0.832111 0.600182 Ag\n0.179777 0.018175 0.073829 Ag\n0.981825 0.820223 0.426171 Ag\n0.398530 0.325217 0.855120 Ag\n0.360648 0.832111 0.899818 Ag\n0.151385 0.629166 0.134551 Ag\n0.625579 0.374421 0.750000 Ag\n0.820223 0.981825 0.573829 Ag\n0.122200 0.062647 0.750000 Ag\n0.141232 0.858768 0.250000 Ag\n0.370834 0.848615 0.365449 Ag\n0.018175 0.179777 0.573829 Ag\n0.629166 0.151385 0.865449 Ag\n0.981825 0.820223 0.073829 Ag\n0.877800 0.937353 0.250000 Ag\n0.370834 0.848615 0.134551 Ag\n0.601470 0.674783 0.355120 Ag\n0.151385 0.629166 0.365449 Ag\n0.325217 0.398530 0.355120 Ag\n0.167889 0.639352 0.600182 Ag\n0.179777 0.018175 0.426171 Ag\n0.629166 0.151385 0.634551 Ag\n0.820223 0.981825 0.926171 Ag\n0.674783 0.601470 0.644880 Ag\n0.639352 0.167889 0.100182 Ag\n0.062647 0.122200 0.250000 Ag\n0.674783 0.601470 0.855120 Ag\n0.018175 0.179777 0.926171 Ag\n0.832111 0.360648 0.399818 Ag\n0.601470 0.674783 0.144880 Ag\n0.690556 0.951746 0.750000 Te\n0.291731 0.524442 0.750000 Te\n0.379630 0.620370 0.450605 Te\n0.886482 0.113518 0.409855 Te\n0.951746 0.690556 0.250000 Te\n0.048254 0.309444 0.750000 Te\n0.475558 0.708269 0.750000 Te\n0.309444 0.048254 0.250000 Te\n0.620370 0.379630 0.549395 Te\n0.524442 0.291731 0.250000 Te\n0.886482 0.113518 0.090145 Te\n0.379630 0.620370 0.049395 Te\n0.113518 0.886482 0.909855 Te\n0.113518 0.886482 0.590145 Te\n0.620370 0.379630 0.950605 Te\n0.708269 0.475558 0.250000 Te\n0.249583 0.249583 0.500000 Br\n0.890998 0.635828 0.750000 Br\n0.249583 0.249583 0.000000 Br\n0.750417 0.750417 0.500000 Br\n0.109002 0.364172 0.250000 Br\n0.000000 0.500000 0.500000 Br\n0.750417 0.750417 0.000000 Br\n0.364172 0.109002 0.750000 Br\n0.000000 0.500000 0.000000 Br\n0.635828 0.890998 0.250000 Br\n0.500000 0.000000 0.500000 Br\n0.500000 0.000000 0.000000 Br\n",
"nsites": 68,
"nelements": 3,
"elements": [
"Ag",
"Te",
"Br"
],
"chemical_system": "Ag-Br-Te",
"density": 6.9579081584041775,
"density_atomic": 0.03895056194258206,
"volume": 1745.8027974086842,
"volume_molar": 15.460985566465972,
"formula_full": "Ag40 Te16 Br12",
"formula_reduced": "Ag10Te4Br3",
"formula_anonymous": "A3B4C10",
"energy": -208.57111242,
"energy_per_atom": -3.067222241470588,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -195.41111242,
"band_gap": 0.8722000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0041621,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:42.987000Z",
"spacegroup": 63
},
{
"id": "mp-1229158",
"created_at": "2022-09-04T14:42:28.409147Z",
"structure_string": "Ag1 Te10 Au4\n1.0\n-3.691799 -2.143486 0.028636\n-3.691799 2.143486 0.028636\n0.188740 0.000000 -25.702325\nAg Te Au\n1 10 4\ndirect\n0.000000 0.000000 0.800000 Ag\n0.686737 0.686737 0.057743 Te\n0.685830 0.685830 0.257916 Te\n0.686279 0.686279 0.457701 Te\n0.687423 0.687423 0.658345 Te\n0.685284 0.685284 0.859091 Te\n0.313721 0.313721 0.142299 Te\n0.314170 0.314170 0.342084 Te\n0.313263 0.313263 0.542257 Te\n0.314716 0.314716 0.740909 Te\n0.312577 0.312577 0.941655 Te\n0.999956 0.999956 0.000103 Au\n0.999863 0.999863 0.199915 Au\n0.000137 0.000137 0.400085 Au\n0.000044 0.000044 0.599897 Au\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Ag",
"Te",
"Au"
],
"chemical_system": "Ag-Au-Te",
"density": 8.865831141627725,
"density_atomic": 0.03687694124057679,
"volume": 406.75824771212467,
"volume_molar": 16.330369486755753,
"formula_full": "Ag1 Te10 Au4",
"formula_reduced": "Ag(Te5Au2)2",
"formula_anonymous": "AB4C10",
"energy": -52.39411372,
"energy_per_atom": -3.492940914666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.17411372,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009392,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.155000Z",
"spacegroup": 12
},
{
"id": "mp-5710",
"created_at": "2022-09-04T14:46:33.170605Z",
"structure_string": "Ag12 Te8 Au4\n1.0\n-5.274209 5.274209 5.274209\n5.274209 -5.274209 5.274209\n5.274209 5.274209 -5.274209\nAg Te Au\n12 8 4\ndirect\n0.609310 0.750000 0.359310 Ag\n0.250000 0.609310 0.359310 Ag\n0.750000 0.890690 0.140690 Ag\n0.609310 0.359310 0.250000 Ag\n0.890690 0.140690 0.750000 Ag\n0.359310 0.250000 0.609310 Ag\n0.359310 0.609310 0.750000 Ag\n0.250000 0.140690 0.890690 Ag\n0.140690 0.890690 0.250000 Ag\n0.750000 0.359310 0.609310 Ag\n0.890690 0.250000 0.140690 Ag\n0.140690 0.750000 0.890690 Ag\n0.500000 0.000000 0.958691 Te\n0.541309 0.500000 0.000000 Te\n0.958691 0.958691 0.958691 Te\n0.000000 0.541309 0.500000 Te\n0.500000 0.000000 0.541309 Te\n0.958691 0.500000 0.000000 Te\n0.000000 0.958691 0.500000 Te\n0.541309 0.541309 0.541309 Te\n0.250000 0.250000 0.250000 Au\n0.000000 0.250000 0.500000 Au\n0.250000 0.500000 0.000000 Au\n0.500000 0.000000 0.250000 Au\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ag",
"Te",
"Au"
],
"chemical_system": "Ag-Au-Te",
"density": 8.78032772640411,
"density_atomic": 0.04089585044035784,
"volume": 586.8566062711276,
"volume_molar": 14.725554537085955,
"formula_full": "Ag12 Te8 Au4",
"formula_reduced": "Ag3Te2Au",
"formula_anonymous": "AB2C3",
"energy": -77.24844246,
"energy_per_atom": -3.2186851025000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.87244246,
"band_gap": 0.1725000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0047413,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:33.938000Z",
"spacegroup": 214
},
{
"id": "mp-31495",
"created_at": "2022-09-04T14:41:03.857171Z",
"structure_string": "Ag2 Te4 Au2\n1.0\n4.775791 0.000000 0.000000\n0.000000 4.990799 0.000000\n0.000000 0.000000 8.967253\nAg Te Au\n2 4 2\ndirect\n0.500000 0.500000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.823080 0.500000 0.750000 Te\n0.176920 0.500000 0.250000 Te\n0.682333 0.000000 0.250000 Te\n0.317667 0.000000 0.750000 Te\n0.000000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ag",
"Te",
"Au"
],
"chemical_system": "Ag-Au-Te",
"density": 8.702003795334129,
"density_atomic": 0.037429598780975896,
"volume": 213.73459135410528,
"volume_molar": 16.089247430193762,
"formula_full": "Ag2 Te4 Au2",
"formula_reduced": "AgTe2Au",
"formula_anonymous": "ABC2",
"energy": -25.40062257,
"energy_per_atom": -3.17507782125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.71262257,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.3e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.774000Z",
"spacegroup": 51
},
{
"id": "mp-3291",
"created_at": "2022-09-04T14:39:32.741055Z",
"structure_string": "Ag2 Te8 Au2\n1.0\n4.578168 0.000000 0.000000\n0.000000 9.067899 0.000000\n0.000000 5.736384 8.525465\nAg Te Au\n2 8 2\ndirect\n0.480012 0.500000 0.250000 Ag\n0.519988 0.500000 0.750000 Ag\n0.399539 0.806674 0.454785 Te\n0.399539 0.193326 0.045215 Te\n0.968890 0.296822 0.705073 Te\n0.968890 0.703178 0.794927 Te\n0.031110 0.703178 0.294927 Te\n0.031110 0.296822 0.205073 Te\n0.600461 0.806674 0.954785 Te\n0.600461 0.193326 0.545215 Te\n0.000000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ag",
"Te",
"Au"
],
"chemical_system": "Ag-Au-Te",
"density": 7.649715986896263,
"density_atomic": 0.033905079774411546,
"volume": 353.9292660522363,
"volume_molar": 17.76176549375047,
"formula_full": "Ag2 Te8 Au2",
"formula_reduced": "AgTe4Au",
"formula_anonymous": "ABC4",
"energy": -41.62696932,
"energy_per_atom": -3.46891411,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.25096932,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.6e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:42.648000Z",
"spacegroup": 13
},
{
"id": "mp-1229219",
"created_at": "2022-09-04T14:45:57.840938Z",
"structure_string": "Ag3 Te32 Au13\n1.0\n4.521805 16.960284 0.000000\n-4.521805 16.960284 0.000000\n0.000000 0.010911 9.089134\nAg Te Au\n3 32 13\ndirect\n0.073317 0.676384 0.316710 Ag\n0.323616 0.926683 0.683290 Ag\n0.700121 0.299879 0.000000 Ag\n0.405521 0.467407 0.369175 Te\n0.902000 0.971800 0.367560 Te\n0.532593 0.594479 0.630825 Te\n0.028200 0.098000 0.632440 Te\n0.282869 0.344490 0.369240 Te\n0.778129 0.848502 0.367570 Te\n0.655510 0.717131 0.630760 Te\n0.151498 0.221871 0.632430 Te\n0.598792 0.151630 0.018872 Te\n0.099374 0.649811 0.011014 Te\n0.848370 0.401208 0.981128 Te\n0.350189 0.900626 0.988986 Te\n0.142096 0.607497 0.614328 Te\n0.638540 0.111509 0.613180 Te\n0.392503 0.857904 0.385672 Te\n0.888491 0.361460 0.386820 Te\n0.649342 0.345507 0.698298 Te\n0.151987 0.843008 0.702023 Te\n0.654493 0.350658 0.301702 Te\n0.156992 0.848013 0.297977 Te\n0.406944 0.097645 0.702368 Te\n0.906961 0.598400 0.702314 Te\n0.902355 0.593056 0.297632 Te\n0.401600 0.093039 0.297686 Te\n0.872300 0.006556 0.961239 Te\n0.367614 0.511664 0.961258 Te\n0.993444 0.127700 0.038761 Te\n0.488336 0.632386 0.038742 Te\n0.742237 0.878826 0.962316 Te\n0.241668 0.378564 0.962270 Te\n0.121174 0.257763 0.037684 Te\n0.621436 0.758332 0.037730 Te\n0.390414 0.483615 0.665918 Au\n0.890303 0.983899 0.665174 Au\n0.516385 0.609586 0.334082 Au\n0.016101 0.109697 0.334826 Au\n0.267142 0.358035 0.666571 Au\n0.766418 0.859680 0.665785 Au\n0.641965 0.732858 0.333429 Au\n0.140320 0.233582 0.334215 Au\n0.583188 0.166872 0.317869 Au\n0.833128 0.416812 0.682131 Au\n0.191730 0.808270 0.000000 Au\n0.943355 0.557263 0.000147 Au\n0.442737 0.056645 0.999853 Au\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Ag",
"Te",
"Au"
],
"chemical_system": "Ag-Au-Te",
"density": 8.29889977394239,
"density_atomic": 0.0344305361459053,
"volume": 1394.1113143458404,
"volume_molar": 17.49069702104012,
"formula_full": "Ag3 Te32 Au13",
"formula_reduced": "Ag3Te32Au13",
"formula_anonymous": "A3B13C32",
"energy": -168.97981002,
"energy_per_atom": -3.52041270875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -155.47581002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.026483,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.909000Z",
"spacegroup": 5
},
{
"id": "mp-1229256",
"created_at": "2022-09-04T14:40:53.233083Z",
"structure_string": "Ag32 Te20 As3\n1.0\n6.992935 -12.112118 0.000000\n6.992935 12.112118 0.000000\n0.000000 0.000000 8.583220\nAg Te As\n32 20 3\ndirect\n0.878637 0.121363 0.000000 Ag\n0.878637 0.757274 0.000000 Ag\n0.242726 0.121363 0.000000 Ag\n0.121363 0.878637 0.000000 Ag\n0.757274 0.878637 0.000000 Ag\n0.121363 0.242726 0.000000 Ag\n0.539178 0.665234 0.500000 Ag\n0.334766 0.873944 0.500000 Ag\n0.126056 0.460822 0.500000 Ag\n0.665234 0.539178 0.500000 Ag\n0.873944 0.334766 0.500000 Ag\n0.460822 0.126056 0.500000 Ag\n0.460822 0.334766 0.500000 Ag\n0.665234 0.126056 0.500000 Ag\n0.873944 0.539178 0.500000 Ag\n0.334766 0.460822 0.500000 Ag\n0.126056 0.665234 0.500000 Ag\n0.539178 0.873944 0.500000 Ag\n0.761284 0.238716 0.801076 Ag\n0.761284 0.522568 0.801076 Ag\n0.477432 0.238716 0.801076 Ag\n0.238716 0.761284 0.801076 Ag\n0.522568 0.761284 0.801076 Ag\n0.238716 0.477432 0.801076 Ag\n0.238716 0.761284 0.198924 Ag\n0.238716 0.477432 0.198924 Ag\n0.522568 0.761284 0.198924 Ag\n0.761284 0.238716 0.198924 Ag\n0.477432 0.238716 0.198924 Ag\n0.761284 0.522568 0.198924 Ag\n0.000000 0.000000 0.843160 Ag\n0.000000 0.000000 0.156840 Ag\n0.666667 0.333333 0.000000 Te\n0.333333 0.666667 0.000000 Te\n0.803696 0.803696 0.500000 Te\n0.196304 0.000000 0.500000 Te\n0.000000 0.196304 0.500000 Te\n0.196304 0.196304 0.500000 Te\n0.803696 0.000000 0.500000 Te\n0.000000 0.803696 0.500000 Te\n0.651031 0.651031 0.786504 Te\n0.348969 0.000000 0.786504 Te\n0.000000 0.348969 0.786504 Te\n0.348969 0.348969 0.786504 Te\n0.651031 0.000000 0.786504 Te\n0.000000 0.651031 0.786504 Te\n0.348969 0.348969 0.213496 Te\n0.651031 0.000000 0.213496 Te\n0.000000 0.651031 0.213496 Te\n0.651031 0.651031 0.213496 Te\n0.348969 0.000000 0.213496 Te\n0.000000 0.348969 0.213496 Te\n0.500000 0.500000 0.000000 As\n0.500000 0.000000 0.000000 As\n0.000000 0.500000 0.000000 As\n",
"nsites": 55,
"nelements": 3,
"elements": [
"Ag",
"Te",
"As"
],
"chemical_system": "Ag-As-Te",
"density": 7.113380380907173,
"density_atomic": 0.03782708409342563,
"volume": 1453.984659884451,
"volume_molar": 15.920182335827073,
"formula_full": "Ag32 Te20 As3",
"formula_reduced": "Ag32Te20As3",
"formula_anonymous": "A3B20C32",
"energy": -162.56367041,
"energy_per_atom": -2.955703098363636,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -154.12367041,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.6469321,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.595000Z",
"spacegroup": 191
},
{
"id": "mp-1229006",
"created_at": "2022-09-04T14:46:00.533581Z",
"structure_string": "Ag1 Sn1 Te2\n1.0\n4.344390 0.000000 0.000000\n0.000000 4.344390 0.000000\n0.000000 0.000000 6.074553\nAg Sn Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.500000 Te\n0.500000 0.500000 0.000000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ag",
"Sn",
"Te"
],
"chemical_system": "Ag-Sn-Te",
"density": 6.977893003537542,
"density_atomic": 0.034888962506019666,
"volume": 114.64943961316845,
"volume_molar": 17.26087658514051,
"formula_full": "Ag1 Sn1 Te2",
"formula_reduced": "AgSnTe2",
"formula_anonymous": "ABC2",
"energy": -14.49119625,
"energy_per_atom": -3.6227990625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.64719625,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0064562,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.705000Z",
"spacegroup": 123
},
{
"id": "mp-17984",
"created_at": "2022-09-04T14:46:25.767821Z",
"structure_string": "Ag16 Sn2 Se12\n1.0\n7.944697 0.000000 0.000000\n0.000000 8.127181 0.000000\n0.000000 0.000000 11.222117\nAg Sn Se\n16 2 12\ndirect\n0.623344 0.500000 0.535357 Ag\n0.698743 0.500000 0.965571 Ag\n0.301257 0.000000 0.465571 Ag\n0.830529 0.773550 0.135672 Ag\n0.474585 0.807266 0.260090 Ag\n0.525415 0.692734 0.760090 Ag\n0.830529 0.226450 0.135672 Ag\n0.169471 0.273550 0.635672 Ag\n0.169471 0.726450 0.635672 Ag\n0.525415 0.307266 0.760090 Ag\n0.886726 0.212319 0.865018 Ag\n0.113274 0.287681 0.365018 Ag\n0.113274 0.712319 0.365018 Ag\n0.886726 0.787681 0.865018 Ag\n0.474585 0.192734 0.260090 Ag\n0.376656 0.000000 0.035357 Ag\n0.247120 0.500000 0.015810 Sn\n0.752880 0.000000 0.515810 Sn\n0.289829 0.500000 0.500492 Se\n0.710171 0.000000 0.000492 Se\n0.802282 0.500000 0.744689 Se\n0.197718 0.000000 0.244689 Se\n0.505953 0.500000 0.152140 Se\n0.494047 0.000000 0.652140 Se\n0.004324 0.500000 0.167733 Se\n0.995676 0.000000 0.667733 Se\n0.242857 0.239806 0.888524 Se\n0.757143 0.260194 0.388524 Se\n0.757143 0.739806 0.388524 Se\n0.242857 0.760194 0.888524 Se\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Ag",
"Sn",
"Se"
],
"chemical_system": "Ag-Se-Sn",
"density": 6.670740647922878,
"density_atomic": 0.04140275035783024,
"volume": 724.5895439486495,
"volume_molar": 14.545267422943247,
"formula_full": "Ag16 Sn2 Se12",
"formula_reduced": "Ag8SnSe6",
"formula_anonymous": "AB6C8",
"energy": -105.48436399,
"energy_per_atom": -3.5161454663333336,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -99.82036399,
"band_gap": 0.4664999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0029809,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:37.827000Z",
"spacegroup": 31
},
{
"id": "mp-1229011",
"created_at": "2022-09-04T14:41:01.352645Z",
"structure_string": "Ag1 Sn1 Se2\n1.0\n6.733192 -2.029901 0.000000\n6.733192 2.029901 0.000000\n6.121224 0.000000 3.462224\nAg Sn Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Sn\n0.251816 0.251816 0.251816 Se\n0.748184 0.748184 0.748184 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ag",
"Sn",
"Se"
],
"chemical_system": "Ag-Se-Sn",
"density": 6.746249424080593,
"density_atomic": 0.042264815437806504,
"volume": 94.64136915222255,
"volume_molar": 14.24859116884515,
"formula_full": "Ag1 Sn1 Se2",
"formula_reduced": "AgSnSe2",
"formula_anonymous": "ABC2",
"energy": -15.933103589999998,
"energy_per_atom": -3.9832758974999996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.98910359,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0080447,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.258000Z",
"spacegroup": 166
},
{
"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-1229118",
"created_at": "2022-09-04T14:41:45.021400Z",
"structure_string": "Ag6 Sn1 Sb1\n1.0\n4.870383 0.000000 0.000000\n0.000000 5.278408 0.000000\n0.000000 0.000000 6.144675\nAg Sn Sb\n6 1 1\ndirect\n0.500000 0.159310 0.751750 Ag\n0.500000 0.159310 0.248250 Ag\n0.000000 0.841862 0.751922 Ag\n0.000000 0.841862 0.248078 Ag\n0.000000 0.327898 0.500000 Ag\n0.500000 0.668377 0.000000 Ag\n0.000000 0.334313 0.000000 Sn\n0.500000 0.667069 0.500000 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ag",
"Sn",
"Sb"
],
"chemical_system": "Ag-Sb-Sn",
"density": 9.331257033552562,
"density_atomic": 0.05064364995211159,
"volume": 157.96649742988043,
"volume_molar": 11.891206036086476,
"formula_full": "Ag6 Sn1 Sb1",
"formula_reduced": "Ag6SnSb",
"formula_anonymous": "ABC6",
"energy": -25.34353021,
"energy_per_atom": -3.16794127625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.15153021,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0325161,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.310000Z",
"spacegroup": 25
}
]
}