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=90",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_reduced&page=88",
"results": [
{
"id": "mp-1202255",
"created_at": "2022-09-04T14:44:26.930911Z",
"structure_string": "Ag6 Sb6 Se12 F36\n1.0\n5.555901 11.248757 0.000000\n-5.555901 11.248757 0.000000\n0.000000 5.298610 9.589817\nAg Sb Se F\n6 6 12 36\ndirect\n0.517826 0.482174 0.250000 Ag\n0.482174 0.517826 0.750000 Ag\n0.810591 0.853790 0.654811 Ag\n0.146210 0.189409 0.845189 Ag\n0.189409 0.146210 0.345189 Ag\n0.853790 0.810591 0.154811 Ag\n0.000000 0.500000 0.000000 Sb\n0.500000 0.000000 0.500000 Sb\n0.019045 0.980955 0.750000 Sb\n0.980955 0.019045 0.250000 Sb\n0.000000 0.500000 0.500000 Sb\n0.500000 0.000000 0.000000 Sb\n0.713172 0.377526 0.896037 Se\n0.622474 0.286828 0.603963 Se\n0.286828 0.622474 0.103963 Se\n0.377526 0.713172 0.396037 Se\n0.627199 0.579005 0.962258 Se\n0.420995 0.372801 0.537742 Se\n0.372801 0.420995 0.037742 Se\n0.579005 0.627199 0.462258 Se\n0.408347 0.720097 0.906141 Se\n0.279903 0.591653 0.593859 Se\n0.591653 0.279903 0.093859 Se\n0.720097 0.408347 0.406141 Se\n0.911813 0.637530 0.849046 F\n0.362470 0.088187 0.650954 F\n0.088187 0.362470 0.150954 F\n0.637530 0.911813 0.349046 F\n0.046830 0.619656 0.002913 F\n0.380344 0.953170 0.497087 F\n0.953170 0.380344 0.997087 F\n0.619656 0.046830 0.502913 F\n0.827884 0.583312 0.130976 F\n0.416688 0.172116 0.369024 F\n0.172116 0.416688 0.869024 F\n0.583312 0.827884 0.630976 F\n0.935524 0.898033 0.739976 F\n0.101967 0.064476 0.760024 F\n0.064476 0.101967 0.260024 F\n0.898033 0.935524 0.239976 F\n0.846117 0.153883 0.750000 F\n0.153883 0.846117 0.250000 F\n0.191922 0.808078 0.750000 F\n0.808078 0.191922 0.250000 F\n0.966343 0.928565 0.950573 F\n0.071435 0.033657 0.549427 F\n0.033657 0.071435 0.049427 F\n0.928565 0.966343 0.450573 F\n0.929111 0.678332 0.522575 F\n0.321668 0.070889 0.977425 F\n0.070889 0.321668 0.477425 F\n0.678332 0.929111 0.022575 F\n0.823657 0.515944 0.597570 F\n0.484056 0.176343 0.902430 F\n0.176343 0.484056 0.402430 F\n0.515944 0.823657 0.097570 F\n0.943851 0.589992 0.326199 F\n0.410008 0.056149 0.173801 F\n0.056149 0.410008 0.673801 F\n0.589992 0.943851 0.826199 F\n",
"nsites": 60,
"nelements": 4,
"elements": [
"Ag",
"Sb",
"Se",
"F"
],
"chemical_system": "Ag-F-Sb-Se",
"density": 4.168745465308232,
"density_atomic": 0.05005551124541108,
"volume": 1198.6692075890164,
"volume_molar": 12.030924487964528,
"formula_full": "Ag6 Sb6 Se12 F36",
"formula_reduced": "AgSb(SeF3)2",
"formula_anonymous": "ABC2D6",
"energy": -267.68785754,
"energy_per_atom": -4.461464292333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -251.05585754,
"band_gap": 1.175,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0004987,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:37.822000Z",
"spacegroup": 15
},
{
"id": "mp-1228993",
"created_at": "2022-09-04T14:48:09.785968Z",
"structure_string": "Ag1 Sb1 Se1 S1\n1.0\n3.953368 0.000000 0.000000\n0.000000 3.953368 0.000000\n0.000000 0.000000 5.781907\nAg Sb Se S\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Sb\n0.500000 0.500000 0.000000 Se\n0.000000 0.000000 0.500000 S\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Ag",
"Sb",
"Se",
"S"
],
"chemical_system": "Ag-S-Sb-Se",
"density": 6.259735506212973,
"density_atomic": 0.044264381901372614,
"volume": 90.36610991005304,
"volume_molar": 13.604935845299257,
"formula_full": "Ag1 Sb1 Se1 S1",
"formula_reduced": "AgSbSeS",
"formula_anonymous": "ABCD",
"energy": -15.93677237,
"energy_per_atom": -3.9841930925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.96177237,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.573000Z",
"spacegroup": 123
},
{
"id": "mp-1199019",
"created_at": "2022-09-04T14:47:06.113769Z",
"structure_string": "Ag4 Sb4 S4 O8 F24\n1.0\n8.408338 0.000000 0.000000\n0.000000 7.836214 0.000000\n0.000000 7.666348 11.401868\nAg Sb S O F\n4 4 4 8 24\ndirect\n0.260565 0.709166 0.533244 Ag\n0.239435 0.709166 0.033244 Ag\n0.739435 0.290834 0.466756 Ag\n0.760565 0.290834 0.966756 Ag\n0.239746 0.367677 0.376474 Sb\n0.260254 0.367677 0.876474 Sb\n0.760254 0.632323 0.623526 Sb\n0.739746 0.632323 0.123526 Sb\n0.430278 0.000409 0.227011 S\n0.069722 0.000409 0.727011 S\n0.569722 0.999591 0.772989 S\n0.930278 0.999591 0.272989 S\n0.457535 0.871755 0.352705 O\n0.042465 0.871755 0.852705 O\n0.542465 0.128245 0.647295 O\n0.957535 0.128245 0.147295 O\n0.571412 0.078969 0.153637 O\n0.928588 0.078969 0.653637 O\n0.428588 0.921031 0.846363 O\n0.071412 0.921031 0.346363 O\n0.275245 0.079832 0.492737 F\n0.224755 0.079832 0.992737 F\n0.724755 0.920168 0.507263 F\n0.775245 0.920168 0.007263 F\n0.204578 0.652934 0.255898 F\n0.295422 0.652934 0.755898 F\n0.795422 0.347066 0.744102 F\n0.704578 0.347066 0.244102 F\n0.461411 0.421266 0.382669 F\n0.038589 0.421266 0.882669 F\n0.538589 0.578734 0.617331 F\n0.961411 0.578734 0.117331 F\n0.279204 0.325835 0.253306 F\n0.220796 0.325835 0.753306 F\n0.720796 0.674165 0.746694 F\n0.779204 0.674165 0.246694 F\n0.017354 0.306898 0.378394 F\n0.482646 0.306898 0.878394 F\n0.982646 0.693102 0.621606 F\n0.517354 0.693102 0.121606 F\n0.198703 0.422731 0.494543 F\n0.301297 0.422731 0.994543 F\n0.801297 0.577269 0.505457 F\n0.698703 0.577269 0.005457 F\n",
"nsites": 44,
"nelements": 5,
"elements": [
"Ag",
"Sb",
"S",
"O",
"F"
],
"chemical_system": "Ag-F-O-S-Sb",
"density": 3.604446754912279,
"density_atomic": 0.058567976384935785,
"volume": 751.2637915097439,
"volume_molar": 10.282309773552209,
"formula_full": "Ag4 Sb4 S4 O8 F24",
"formula_reduced": "AgSbS(OF3)2",
"formula_anonymous": "ABCD2E6",
"energy": -224.18403862,
"energy_per_atom": -5.095091786818181,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -207.60003862,
"band_gap": 2.5773,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0034318,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:56.407000Z",
"spacegroup": 14
},
{
"id": "mp-1247876",
"created_at": "2022-09-04T14:39:23.487548Z",
"structure_string": "Ag4 Sb4 Te8\n1.0\n6.136512 0.000000 0.000000\n0.000000 6.136512 0.000000\n0.000000 0.000000 12.108707\nAg Sb Te\n4 4 8\ndirect\n0.500000 0.500000 -0.000000 Ag\n0.500000 0.000000 0.750000 Ag\n0.500000 0.500000 0.500000 Ag\n0.000000 0.500000 0.250000 Ag\n0.500000 0.500000 0.250000 Sb\n0.500000 0.500000 0.750000 Sb\n0.500000 -0.000000 0.250000 Sb\n0.000000 0.500000 0.750000 Sb\n0.000000 0.000000 -0.000000 Te\n0.500000 0.000000 0.997703 Te\n0.500000 0.000000 0.502297 Te\n0.000000 0.000000 0.250000 Te\n-0.000000 0.000000 0.500000 Te\n-0.000000 0.500000 0.002297 Te\n-0.000000 0.500000 0.497703 Te\n0.000000 0.000000 0.750000 Te\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ag",
"Sb",
"Te"
],
"chemical_system": "Ag-Sb-Te",
"density": 7.062460230207261,
"density_atomic": 0.0350896500103814,
"volume": 455.97490984567656,
"volume_molar": 17.162156813243588,
"formula_full": "Ag4 Sb4 Te8",
"formula_reduced": "AgSbTe2",
"formula_anonymous": "ABC2",
"energy": -55.59535853,
"energy_per_atom": -3.474709908125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.21935853,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009005,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.441000Z",
"spacegroup": 131
},
{
"id": "mp-1229025",
"created_at": "2022-09-04T14:41:24.097490Z",
"structure_string": "Ag2 Sb2 Te4\n1.0\n6.140985 0.000000 0.000000\n0.000000 6.140985 0.000000\n0.000000 0.000000 6.068290\nAg Sb Te\n2 2 4\ndirect\n0.000000 0.500000 0.500000 Ag\n0.500000 0.000000 0.500000 Ag\n0.500000 0.500000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.000000 Te\n0.000000 0.000000 0.500000 Te\n0.500000 0.000000 0.000000 Te\n0.000000 0.000000 0.000000 Te\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ag",
"Sb",
"Te"
],
"chemical_system": "Ag-Sb-Te",
"density": 7.035979497854548,
"density_atomic": 0.034958081180258865,
"volume": 228.84551239378865,
"volume_molar": 17.226748599121496,
"formula_full": "Ag2 Sb2 Te4",
"formula_reduced": "AgSbTe2",
"formula_anonymous": "ABC2",
"energy": -27.69868951,
"energy_per_atom": -3.46233618875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.01068951,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003417,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.069000Z",
"spacegroup": 123
},
{
"id": "mp-1247932",
"created_at": "2022-09-04T14:48:13.395179Z",
"structure_string": "Ag7 Sb7 Te14\n1.0\n3.744696 0.033018 2.288344\n-0.642645 4.431480 60.961350\n0.501571 0.678856 58.994156\nAg Sb Te\n7 7 14\ndirect\n0.920024 0.431371 0.080024 Ag\n0.933718 0.515182 0.065572 Ag\n0.974282 0.620711 0.025907 Ag\n0.000181 0.714480 0.999801 Ag\n0.065705 0.913162 0.934628 Ag\n0.026064 0.807867 0.974077 Ag\n0.080020 0.997315 0.919836 Ag\n0.070710 0.060537 0.929374 Sb\n0.022500 0.090323 0.977994 Sb\n0.020272 0.159960 0.980121 Sb\n0.999928 0.214355 0.999952 Sb\n0.980367 0.268847 0.019667 Sb\n0.977489 0.338131 0.022130 Sb\n0.928759 0.367798 0.070863 Sb\n0.469161 0.973330 0.531174 Te\n0.447217 0.026210 0.552781 Te\n0.458654 0.107486 0.541305 Te\n0.499992 0.214361 0.499934 Te\n0.541535 0.321155 0.458607 Te\n0.552587 0.402255 0.447299 Te\n0.530827 0.455275 0.468798 Te\n0.516164 0.513711 0.483976 Te\n0.509203 0.578948 0.491262 Te\n0.507508 0.648964 0.492950 Te\n0.499838 0.714348 0.499958 Te\n0.493435 0.779901 0.506762 Te\n0.490577 0.849406 0.508979 Te\n0.483282 0.914613 0.516272 Te\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ag",
"Sb",
"Te"
],
"chemical_system": "Ag-Sb-Te",
"density": 6.87103014979628,
"density_atomic": 0.03413853463356838,
"volume": 820.1875183144982,
"volume_molar": 17.64030244601781,
"formula_full": "Ag7 Sb7 Te14",
"formula_reduced": "AgSbTe2",
"formula_anonymous": "ABC2",
"energy": -74.70343203,
"energy_per_atom": -2.6679797153571427,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.79543203,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0425297,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.348000Z",
"spacegroup": 123
},
{
"id": "mp-12360",
"created_at": "2022-09-04T14:44:41.428318Z",
"structure_string": "Ag1 Sb1 Te2\n1.0\n7.075848 -2.187259 0.000000\n7.075848 2.187259 0.000000\n6.399731 0.000000 3.727623\nAg Sb Te\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Sb\n0.753683 0.753683 0.753683 Te\n0.246317 0.246317 0.246317 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ag",
"Sb",
"Te"
],
"chemical_system": "Ag-Sb-Te",
"density": 6.97744279243565,
"density_atomic": 0.034667243081500515,
"volume": 115.38269687601782,
"volume_molar": 17.37127104639479,
"formula_full": "Ag1 Sb1 Te2",
"formula_reduced": "AgSbTe2",
"formula_anonymous": "ABC2",
"energy": -14.35811608,
"energy_per_atom": -3.58952902,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.51411608,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003447,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:39.785000Z",
"spacegroup": 166
},
{
"id": "mp-1229003",
"created_at": "2022-09-04T14:40:36.404138Z",
"structure_string": "Ag1 Sb1 Te2\n1.0\n3.758685 0.000000 0.000000\n0.000000 3.758685 0.000000\n0.000000 0.000000 7.441381\nAg Sb Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Sb\n0.500000 0.500000 0.243723 Te\n0.500000 0.500000 0.756277 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ag",
"Sb",
"Te"
],
"chemical_system": "Ag-Sb-Te",
"density": 7.657933089415329,
"density_atomic": 0.038048241427423475,
"volume": 105.12969456498924,
"volume_molar": 15.827645468154305,
"formula_full": "Ag1 Sb1 Te2",
"formula_reduced": "AgSbTe2",
"formula_anonymous": "ABC2",
"energy": -13.2218001,
"energy_per_atom": -3.305450025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.3778001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.038000Z",
"spacegroup": 123
},
{
"id": "mp-12359",
"created_at": "2022-09-04T14:42:51.722665Z",
"structure_string": "Ag1 Sb1 Te2\n1.0\n4.348972 0.000000 0.000000\n0.000000 4.348972 0.000000\n0.000000 0.000000 6.060793\nAg Sb Te\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ag\n0.000000 0.000000 0.500000 Sb\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ag",
"Sb",
"Te"
],
"chemical_system": "Ag-Sb-Te",
"density": 7.023188025778236,
"density_atomic": 0.03489452708386118,
"volume": 114.63115663917426,
"volume_molar": 17.2581240190679,
"formula_full": "Ag1 Sb1 Te2",
"formula_reduced": "AgSbTe2",
"formula_anonymous": "ABC2",
"energy": -14.26374581,
"energy_per_atom": -3.5659364525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.41974581,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002757,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.068000Z",
"spacegroup": 123
},
{
"id": "mp-1229055",
"created_at": "2022-09-04T14:43:15.925073Z",
"structure_string": "Ag1 Sb1 Te2\n1.0\n0.000000 0.000000 -3.115690\n-3.606813 -4.529149 0.000000\n-4.576871 6.765806 0.000000\nAg Sb Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Sb\n0.000000 0.500000 0.500000 Te\n0.000000 0.500000 0.000000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ag",
"Sb",
"Te"
],
"chemical_system": "Ag-Sb-Te",
"density": 5.725257131034621,
"density_atomic": 0.028445791183102982,
"volume": 140.61834224445937,
"volume_molar": 21.170586260849714,
"formula_full": "Ag1 Sb1 Te2",
"formula_reduced": "AgSbTe2",
"formula_anonymous": "ABC2",
"energy": -12.8661054,
"energy_per_atom": -3.21652635,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.0221054,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008945,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.010000Z",
"spacegroup": 10
},
{
"id": "mp-1229036",
"created_at": "2022-09-04T14:42:09.965244Z",
"structure_string": "Ag1 Sb1 Te3 Pb1\n1.0\n-2.226025 3.152296 6.630975\n2.226025 -3.152296 6.630975\n2.226025 3.152296 -6.630975\nAg Sb Te Pb\n1 1 3 1\ndirect\n0.001437 0.001437 0.000000 Ag\n0.329812 0.329812 0.000000 Sb\n0.845095 0.345095 0.500000 Te\n0.488317 0.988317 0.500000 Te\n0.162297 0.662297 0.500000 Te\n0.673043 0.673043 0.000000 Pb\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Ag",
"Sb",
"Te",
"Pb"
],
"chemical_system": "Ag-Pb-Sb-Te",
"density": 7.312595981344026,
"density_atomic": 0.032237164852953436,
"volume": 186.12058558401128,
"volume_molar": 18.680739412009046,
"formula_full": "Ag1 Sb1 Te3 Pb1",
"formula_reduced": "AgSbTe3Pb",
"formula_anonymous": "ABCD3",
"energy": -22.324284050000003,
"energy_per_atom": -3.7207140083333337,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.05828405,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022988,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.585000Z",
"spacegroup": 44
},
{
"id": "mp-555028",
"created_at": "2022-09-04T14:47:35.856641Z",
"structure_string": "Ag1 Sb1 Te6 S16 O6 F30\n1.0\n10.820868 0.000000 0.000000\n3.610198 10.477046 0.000000\n1.193625 1.461552 11.050054\nAg Sb Te S O F\n1 1 6 16 6 30\ndirect\n0.500000 0.000000 0.500000 Ag\n0.000000 0.500000 0.000000 Sb\n0.237721 0.177395 0.029475 Te\n0.086612 0.569675 0.679605 Te\n0.762279 0.822605 0.970525 Te\n0.767310 0.346849 0.935297 Te\n0.913388 0.430325 0.320395 Te\n0.232690 0.653151 0.064703 Te\n0.479243 0.668852 0.421389 S\n0.377727 0.840142 0.325500 S\n0.622273 0.159858 0.674500 S\n0.492615 0.724007 0.709202 S\n0.410676 0.292728 0.458106 S\n0.183748 0.046731 0.502787 S\n0.203340 0.972677 0.681704 S\n0.189279 0.906314 0.399508 S\n0.400926 0.919700 0.713098 S\n0.816252 0.953269 0.497213 S\n0.796660 0.027323 0.318296 S\n0.599074 0.080300 0.286902 S\n0.507385 0.275993 0.290798 S\n0.589324 0.707272 0.541894 S\n0.520757 0.331148 0.578611 S\n0.810721 0.093686 0.600492 S\n0.110047 0.514730 0.846507 O\n0.146451 0.346565 0.063038 O\n0.924323 0.389212 0.924933 O\n0.889953 0.485270 0.153493 O\n0.075677 0.610788 0.075067 O\n0.853549 0.653435 0.936962 O\n0.093071 0.118901 0.075485 F\n0.725311 0.432407 0.779056 F\n0.665361 0.993154 0.991689 F\n0.205113 0.744670 0.908365 F\n0.139104 0.803583 0.132596 F\n0.911705 0.572747 0.684164 F\n0.288344 0.136903 0.190366 F\n0.088295 0.427253 0.315836 F\n0.144061 0.398946 0.645051 F\n0.334639 0.006846 0.008311 F\n0.794887 0.255330 0.091635 F\n0.391254 0.219907 0.981759 F\n0.860896 0.196417 0.867404 F\n0.711656 0.863097 0.809634 F\n0.616671 0.297514 0.939903 F\n0.608746 0.780093 0.018241 F\n0.971272 0.254677 0.300897 F\n0.028728 0.745323 0.699103 F\n0.383329 0.702486 0.060097 F\n0.802819 0.795669 0.133461 F\n0.274689 0.567593 0.220944 F\n0.662687 0.494758 0.001950 F\n0.077027 0.621864 0.512212 F\n0.260348 0.572088 0.661463 F\n0.197181 0.204331 0.866539 F\n0.855939 0.601054 0.354949 F\n0.906929 0.881099 0.924515 F\n0.922973 0.378136 0.487788 F\n0.337313 0.505242 0.998050 F\n0.739652 0.427912 0.338537 F\n",
"nsites": 60,
"nelements": 6,
"elements": [
"Ag",
"Sb",
"Te",
"S",
"O",
"F"
],
"chemical_system": "Ag-F-O-S-Sb-Te",
"density": 2.881950874147656,
"density_atomic": 0.04789452826514379,
"volume": 1252.7527083645214,
"volume_molar": 12.573755245403964,
"formula_full": "Ag1 Sb1 Te6 S16 O6 F30",
"formula_reduced": "AgSbTe6S16(OF5)6",
"formula_anonymous": "ABC6D6E16F30",
"energy": -284.52939969,
"energy_per_atom": -4.7421566615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -258.49939969,
"band_gap": 0.8025,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005592,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:10.672000Z",
"spacegroup": 2
}
]
}