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=-structure_string&page=12154",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-structure_string&page=12152",
"results": [
{
"id": "mp-996970",
"created_at": "2022-09-04T14:43:23.158227Z",
"structure_string": "Ag2 Bi2 O4\n1.0\n1.801935 6.392725 0.000000\n-1.801935 6.392725 0.000000\n0.000000 0.959747 6.632373\nAg Bi O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.753740 0.753740 0.739030 Bi\n0.246260 0.246260 0.260970 Bi\n0.336130 0.336130 0.516980 O\n0.663870 0.663870 0.483020 O\n0.839270 0.839270 0.116510 O\n0.160730 0.160730 0.883490 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ag",
"Bi",
"O"
],
"chemical_system": "Ag-Bi-O",
"density": 7.582117351272498,
"density_atomic": 0.052355933240701424,
"volume": 152.80025595610647,
"volume_molar": 11.50230811914627,
"formula_full": "Ag2 Bi2 O4",
"formula_reduced": "AgBiO2",
"formula_anonymous": "ABC2",
"energy": -42.24916738,
"energy_per_atom": -5.2811459225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.50116738,
"band_gap": 1.2491000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.3e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.217000Z",
"spacegroup": 12
},
{
"id": "mp-35909",
"created_at": "2022-09-04T14:48:22.166386Z",
"structure_string": "Ag2 Bi2 I8\n1.0\n-4.402388 4.464136 6.436530\n4.402388 -4.464136 6.436530\n4.402388 4.464136 -6.436530\nAg Bi I\n2 2 8\ndirect\n0.000000 0.000000 0.500000 Ag\n0.000000 0.500000 0.000000 Ag\n0.500000 0.000000 0.500000 Bi\n0.000000 0.000000 0.000000 Bi\n0.224202 0.240824 0.983378 I\n0.757445 0.240824 0.516622 I\n0.745240 0.245512 0.000272 I\n0.745240 0.744968 0.499728 I\n0.254760 0.255032 0.500272 I\n0.242555 0.759176 0.483378 I\n0.254760 0.754488 0.999728 I\n0.775798 0.759176 0.016622 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ag",
"Bi",
"I"
],
"chemical_system": "Ag-Bi-I",
"density": 5.41146151853963,
"density_atomic": 0.023716124633640107,
"volume": 505.9848598947998,
"volume_molar": 25.392600405961364,
"formula_full": "Ag2 Bi2 I8",
"formula_reduced": "AgBiI4",
"formula_anonymous": "ABC4",
"energy": -33.16127657,
"energy_per_atom": -2.7634397141666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.12927657,
"band_gap": 0.9912,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016631,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:12.703000Z",
"spacegroup": 74
},
{
"id": "mp-1229125",
"created_at": "2022-09-04T14:45:38.210090Z",
"structure_string": "Ag2 Bi1 Sb1 Te4\n1.0\n-3.098125 3.098125 6.157258\n3.098125 -3.098125 6.157258\n3.098125 3.098125 -6.157258\nAg Bi Sb Te\n2 1 1 4\ndirect\n0.500000 0.500000 0.000000 Ag\n0.250000 0.750000 0.500000 Ag\n0.000000 0.000000 0.000000 Bi\n0.750000 0.250000 0.500000 Sb\n0.000169 0.500169 0.500000 Te\n0.745664 0.745664 0.000000 Te\n0.499831 0.999831 0.500000 Te\n0.254336 0.254336 0.000000 Te\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ag",
"Bi",
"Sb",
"Te"
],
"chemical_system": "Ag-Bi-Sb-Te",
"density": 7.423833901652597,
"density_atomic": 0.03384112339304778,
"volume": 236.39877160944062,
"volume_molar": 17.79533347653929,
"formula_full": "Ag2 Bi1 Sb1 Te4",
"formula_reduced": "Ag2BiSbTe4",
"formula_anonymous": "ABC2D4",
"energy": -28.50121329,
"energy_per_atom": -3.56265166125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.81321329,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0050468,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:07.714000Z",
"spacegroup": 119
},
{
"id": "mp-1229134",
"created_at": "2022-09-04T14:45:28.893601Z",
"structure_string": "Ag2 Bi1 Sb1 Te2 Se2\n1.0\n-3.004941 3.025585 5.978052\n3.004941 -3.025585 5.978052\n3.004941 3.025585 -5.978052\nAg Bi Sb Te Se\n2 1 1 2 2\ndirect\n0.996658 0.996658 0.000000 Ag\n0.245441 0.745441 0.500000 Ag\n0.761736 0.261736 0.500000 Bi\n0.512247 0.512247 0.000000 Sb\n0.246615 0.246615 0.000000 Te\n0.492808 0.992808 0.500000 Te\n0.743537 0.743537 0.000000 Se\n0.000958 0.500958 0.500000 Se\n",
"nsites": 8,
"nelements": 5,
"elements": [
"Ag",
"Bi",
"Sb",
"Te",
"Se"
],
"chemical_system": "Ag-Bi-Sb-Se-Te",
"density": 7.329475559716415,
"density_atomic": 0.03679806646528674,
"volume": 217.40272705759577,
"volume_molar": 16.36537279935878,
"formula_full": "Ag2 Bi1 Sb1 Te2 Se2",
"formula_reduced": "Ag2BiSb(TeSe)2",
"formula_anonymous": "ABC2D2E2",
"energy": -29.60166902,
"energy_per_atom": -3.7002086275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.81366902,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028014,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.976000Z",
"spacegroup": 44
},
{
"id": "mp-1229120",
"created_at": "2022-09-04T14:47:34.009277Z",
"structure_string": "Ag2 Bi1 Sb1 Se4\n1.0\n-2.916127 2.916127 5.863367\n2.916127 -2.916127 5.863367\n2.916127 2.916127 -5.863367\nAg Bi Sb Se\n2 1 1 4\ndirect\n0.500000 0.500000 0.000000 Ag\n0.250000 0.750000 0.500000 Ag\n0.750000 0.250000 0.500000 Bi\n0.000000 0.000000 0.000000 Sb\n0.497899 0.997899 0.500000 Se\n0.244944 0.244944 0.000000 Se\n0.002101 0.502101 0.500000 Se\n0.755056 0.755056 0.000000 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ag",
"Bi",
"Sb",
"Se"
],
"chemical_system": "Ag-Bi-Sb-Se",
"density": 7.179529875820542,
"density_atomic": 0.04011160586713199,
"volume": 199.4435233159117,
"volume_molar": 15.013462138484527,
"formula_full": "Ag2 Bi1 Sb1 Se4",
"formula_reduced": "Ag2BiSbSe4",
"formula_anonymous": "ABC2D4",
"energy": -30.98963319,
"energy_per_atom": -3.87370414875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.10163319,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018124,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:19.079000Z",
"spacegroup": 119
},
{
"id": "mp-780275",
"created_at": "2022-09-04T14:45:22.757713Z",
"structure_string": "Ag2 B2 O6\n1.0\n5.478967 -2.448521 0.000000\n5.478967 2.448521 0.000000\n4.384737 0.000000 4.097368\nAg B O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.250000 0.250000 0.250000 B\n0.750000 0.750000 0.750000 B\n0.967582 0.250000 0.532418 O\n0.467582 0.032418 0.750000 O\n0.750000 0.467582 0.032418 O\n0.250000 0.532418 0.967582 O\n0.532418 0.967582 0.250000 O\n0.032418 0.750000 0.467582 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ag",
"B",
"O"
],
"chemical_system": "Ag-B-O",
"density": 5.035218550839825,
"density_atomic": 0.09096252665628199,
"volume": 109.9353807286683,
"volume_molar": 6.62046337252232,
"formula_full": "Ag2 B2 O6",
"formula_reduced": "AgBO3",
"formula_anonymous": "ABC3",
"energy": -63.74372164,
"energy_per_atom": -6.3743721639999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -59.62172164,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013824,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:09.036000Z",
"spacegroup": 167
},
{
"id": "mp-759882",
"created_at": "2022-09-04T14:39:31.288126Z",
"structure_string": "Ag2 B2 H16 C8 N16 F8\n1.0\n5.571494 0.000000 0.000000\n-0.957983 9.658202 0.000000\n-2.487714 -0.339769 11.135304\nAg B H C N F\n2 2 16 8 16 8\ndirect\n0.525840 0.835050 0.491220 Ag\n0.474160 0.164950 0.508780 Ag\n0.106643 0.293940 0.019064 B\n0.893357 0.706060 0.980936 B\n0.206037 0.824933 0.811893 H\n0.157471 0.395679 0.789947 H\n0.495066 0.850890 0.907992 H\n0.418602 0.504566 0.855237 H\n0.240901 0.961064 0.100185 H\n0.310625 0.832617 0.204053 H\n0.350942 0.447824 0.408278 H\n0.296564 0.415454 0.252409 H\n0.703436 0.584546 0.747591 H\n0.649058 0.552176 0.591722 H\n0.689375 0.167383 0.795947 H\n0.759099 0.038936 0.899815 H\n0.581398 0.495434 0.144763 H\n0.504934 0.149110 0.092008 H\n0.842529 0.604321 0.210053 H\n0.793963 0.175067 0.188107 H\n0.055027 0.981096 0.648888 C\n0.030305 0.334520 0.571797 C\n0.380821 0.464867 0.675404 C\n0.423212 0.002140 0.784925 C\n0.576788 0.997860 0.215075 C\n0.619179 0.535133 0.324596 C\n0.969695 0.665480 0.428203 C\n0.944973 0.018904 0.351112 C\n0.165884 0.727275 0.436769 N\n0.372254 0.882380 0.836344 N\n0.308009 0.458435 0.779444 N\n0.245986 0.400014 0.572708 N\n0.142693 0.076700 0.390326 N\n0.269638 0.050200 0.688987 N\n0.362623 0.923103 0.168687 N\n0.404930 0.462061 0.328680 N\n0.595070 0.537939 0.671320 N\n0.637377 0.076897 0.831313 N\n0.730362 0.949800 0.311013 N\n0.857307 0.923300 0.609674 N\n0.754014 0.599986 0.427292 N\n0.691991 0.541565 0.220556 N\n0.627746 0.117620 0.163656 N\n0.834116 0.272725 0.563231 N\n0.050493 0.660617 0.084314 F\n0.019749 0.321707 0.124171 F\n0.118620 0.148127 0.006929 F\n0.651122 0.638395 0.968005 F\n0.348878 0.361605 0.031995 F\n0.881380 0.851873 0.993071 F\n0.980251 0.678293 0.875829 F\n0.949507 0.339383 0.915686 F\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Ag",
"B",
"H",
"C",
"N",
"F"
],
"chemical_system": "Ag-B-C-F-H-N",
"density": 2.011015988419892,
"density_atomic": 0.0867827312198795,
"volume": 599.1975508151355,
"volume_molar": 6.939330757799998,
"formula_full": "Ag2 B2 H16 C8 N16 F8",
"formula_reduced": "AgBH8C4(N2F)4",
"formula_anonymous": "ABC4D4E8F8",
"energy": -339.06367353,
"energy_per_atom": -6.520455260192308,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -329.59167353,
"band_gap": 3.7801,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010874,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:28.805000Z",
"spacegroup": 2
},
{
"id": "mp-5160",
"created_at": "2022-09-04T14:39:59.811825Z",
"structure_string": "Ag2 B2 F10\n1.0\n6.834240 0.000000 0.000000\n0.000000 6.834240 0.000000\n0.000000 0.000000 4.112447\nAg B F\n2 2 10\ndirect\n0.500000 0.000000 0.820315 Ag\n0.000000 0.500000 0.179685 Ag\n0.000000 0.000000 0.000000 B\n0.500000 0.500000 0.000000 B\n0.000000 0.500000 0.680114 F\n0.500000 0.000000 0.319886 F\n0.564894 0.657275 0.802215 F\n0.842725 0.064894 0.802215 F\n0.342725 0.564894 0.197785 F\n0.064894 0.157275 0.197785 F\n0.935106 0.842725 0.197785 F\n0.657275 0.435106 0.197785 F\n0.157275 0.935106 0.802215 F\n0.435106 0.342725 0.802215 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ag",
"B",
"F"
],
"chemical_system": "Ag-B-F",
"density": 3.694403685512546,
"density_atomic": 0.07288652917234993,
"volume": 192.07938914055202,
"volume_molar": 8.262350846422999,
"formula_full": "Ag2 B2 F10",
"formula_reduced": "AgBF5",
"formula_anonymous": "ABC5",
"energy": -72.12378269,
"energy_per_atom": -5.151698763571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.50378269,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008215,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:45.103000Z",
"spacegroup": 85
},
{
"id": "mp-631581",
"created_at": "2022-09-04T14:46:23.120416Z",
"structure_string": "Ag2 B1 Br1\n1.0\n0.000000 3.340079 3.340079\n3.340079 0.000000 3.340079\n3.340079 3.340079 0.000000\nAg B Br\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ag\n0.250000 0.250000 0.250000 Ag\n0.000000 0.000000 0.000000 B\n0.500000 0.500000 0.500000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ag",
"B",
"Br"
],
"chemical_system": "Ag-B-Br",
"density": 6.828267002085727,
"density_atomic": 0.053673483035331426,
"volume": 74.52469587947061,
"volume_molar": 11.219955217059102,
"formula_full": "Ag2 B1 Br1",
"formula_reduced": "Ag2BBr",
"formula_anonymous": "ABC2",
"energy": -10.12645897,
"energy_per_atom": -2.5316147425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.59245897,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0067894,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.464000Z",
"spacegroup": 225
},
{
"id": "mp-985287",
"created_at": "2022-09-04T14:41:47.293946Z",
"structure_string": "Ag2 Au6\n1.0\n2.931441 -5.077404 0.000000\n2.931441 5.077404 0.000000\n0.000000 0.000000 4.856092\nAg Au\n2 6\ndirect\n0.333333 0.666667 0.750000 Ag\n0.666667 0.333333 0.250000 Ag\n0.167198 0.334397 0.250000 Au\n0.665603 0.832802 0.250000 Au\n0.167198 0.832802 0.250000 Au\n0.832802 0.665603 0.750000 Au\n0.334397 0.167198 0.750000 Au\n0.832802 0.167198 0.750000 Au\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ag",
"Au"
],
"chemical_system": "Ag-Au",
"density": 16.053593559977756,
"density_atomic": 0.05534140831995884,
"volume": 144.55721751328844,
"volume_molar": 10.881798896737003,
"formula_full": "Ag2 Au6",
"formula_reduced": "AgAu3",
"formula_anonymous": "AB3",
"energy": -25.56199105,
"energy_per_atom": -3.19524888125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.56199105,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002694,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.199000Z",
"spacegroup": 194
},
{
"id": "mp-35835",
"created_at": "2022-09-04T14:44:02.204428Z",
"structure_string": "Ag2 Au4 S4\n1.0\n4.454032 0.000000 0.000000\n0.000000 7.172518 0.000000\n0.000000 0.118997 7.287524\nAg Au S\n2 4 4\ndirect\n0.763096 0.353996 0.597858 Ag\n0.236904 0.853996 0.597858 Ag\n0.895957 0.000075 0.247013 Au\n0.104043 0.500075 0.247013 Au\n0.499008 0.255537 0.008212 Au\n0.500992 0.755537 0.008212 Au\n0.170423 0.005612 0.972540 S\n0.264082 0.509780 0.549377 S\n0.735918 0.009780 0.549377 S\n0.829577 0.505612 0.972540 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ag",
"Au",
"S"
],
"chemical_system": "Ag-Au-S",
"density": 8.073054023127192,
"density_atomic": 0.04295315035828363,
"volume": 232.81179416614023,
"volume_molar": 14.020253950566433,
"formula_full": "Ag2 Au4 S4",
"formula_reduced": "Ag(AuS)2",
"formula_anonymous": "AB2C2",
"energy": -36.98052964,
"energy_per_atom": -3.698052964,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.96852964,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.1e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.919000Z",
"spacegroup": 7
},
{
"id": "mp-18125",
"created_at": "2022-09-04T14:44:29.761053Z",
"structure_string": "Ag2 Au4 F16\n1.0\n11.384638 0.000000 0.000000\n0.000000 5.541187 0.000000\n0.000000 5.156988 5.659068\nAg Au F\n2 4 16\ndirect\n0.500000 0.500000 0.500000 Ag\n0.000000 0.500000 0.000000 Ag\n0.680218 0.255681 0.013221 Au\n0.180218 0.744319 0.486779 Au\n0.819782 0.255681 0.513221 Au\n0.319782 0.744319 0.986779 Au\n0.225225 0.442015 0.270187 F\n0.725225 0.557985 0.229813 F\n0.774775 0.557985 0.729813 F\n0.274775 0.442015 0.770187 F\n0.173918 0.890640 0.805334 F\n0.673918 0.109360 0.694666 F\n0.086802 0.035035 0.189515 F\n0.586802 0.964965 0.310485 F\n0.913198 0.964965 0.810485 F\n0.413198 0.035035 0.689515 F\n0.031744 0.595442 0.670049 F\n0.531744 0.404558 0.829951 F\n0.968256 0.404558 0.329951 F\n0.468256 0.595442 0.170049 F\n0.326082 0.890640 0.305334 F\n0.826082 0.109360 0.194666 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ag",
"Au",
"F"
],
"chemical_system": "Ag-Au-F",
"density": 6.082042738005958,
"density_atomic": 0.06162483023003995,
"volume": 356.99895509449647,
"volume_molar": 9.772263448872623,
"formula_full": "Ag2 Au4 F16",
"formula_reduced": "Ag(AuF4)2",
"formula_anonymous": "AB2C8",
"energy": -79.82263693,
"energy_per_atom": -3.6283016786363635,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.43063693,
"band_gap": 0.2584999999999997,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 1.9979908,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:41Z",
"spacegroup": 14
}
]
}