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_full&page=43",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_full&page=41",
"results": [
{
"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-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-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-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-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-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-996969",
"created_at": "2022-09-04T14:42:59.787487Z",
"structure_string": "Ag2 Bi2 O4\n1.0\n3.603070 0.000000 0.000000\n0.000000 6.720941 0.000000\n0.000000 2.720426 6.212810\nAg Bi O\n2 2 4\ndirect\n0.250000 0.980560 0.682000 Ag\n0.750000 0.019440 0.318000 Ag\n0.750000 0.456450 0.753140 Bi\n0.250000 0.543550 0.246860 Bi\n0.250000 0.640660 0.805260 O\n0.750000 0.359340 0.194740 O\n0.750000 0.681540 0.412090 O\n0.250000 0.318460 0.587910 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ag",
"Bi",
"O"
],
"chemical_system": "Ag-Bi-O",
"density": 7.7005851734642246,
"density_atomic": 0.05317397562945453,
"volume": 150.44953673858043,
"volume_molar": 11.325353593956535,
"formula_full": "Ag2 Bi2 O4",
"formula_reduced": "AgBiO2",
"formula_anonymous": "ABC2",
"energy": -42.43845491,
"energy_per_atom": -5.30480686375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.69045491,
"band_gap": 1.4247,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018304,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.939000Z",
"spacegroup": 11
},
{
"id": "mp-996965",
"created_at": "2022-09-04T14:40:43.157865Z",
"structure_string": "Ag2 Bi2 O4\n1.0\n1.842420 -3.191165 0.000000\n1.842420 3.191165 0.000000\n0.000000 0.000000 12.898600\nAg Bi O\n2 2 4\ndirect\n0.666667 0.333333 0.750000 Ag\n0.333333 0.666667 0.250000 Ag\n0.000000 0.000000 0.000000 Bi\n0.000000 0.000000 0.500000 Bi\n0.666667 0.333333 0.587930 O\n0.333333 0.666667 0.087930 O\n0.666667 0.333333 0.912070 O\n0.333333 0.666667 0.412070 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ag",
"Bi",
"O"
],
"chemical_system": "Ag-Bi-O",
"density": 7.6384301839403195,
"density_atomic": 0.05274478384418838,
"volume": 151.67376595252594,
"volume_molar": 11.417509602067584,
"formula_full": "Ag2 Bi2 O4",
"formula_reduced": "AgBiO2",
"formula_anonymous": "ABC2",
"energy": -42.09741019,
"energy_per_atom": -5.26217627375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.34941019,
"band_gap": 0.7818,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.043000Z",
"spacegroup": 194
},
{
"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-996968",
"created_at": "2022-09-04T14:43:15.075145Z",
"structure_string": "Ag2 Bi2 O4\n1.0\n3.554430 0.000000 0.000000\n0.000000 6.232230 0.000000\n0.000000 1.051895 6.794851\nAg Bi O\n2 2 4\ndirect\n0.250000 0.186260 0.910220 Ag\n0.750000 0.813740 0.089780 Ag\n0.750000 0.247060 0.387980 Bi\n0.250000 0.752940 0.612020 Bi\n0.750000 0.711830 0.812900 O\n0.250000 0.288170 0.187100 O\n0.750000 0.902590 0.375880 O\n0.250000 0.097410 0.624120 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ag",
"Bi",
"O"
],
"chemical_system": "Ag-Bi-O",
"density": 7.696995053708715,
"density_atomic": 0.05314918518352269,
"volume": 150.51971111835897,
"volume_molar": 11.330636093866186,
"formula_full": "Ag2 Bi2 O4",
"formula_reduced": "AgBiO2",
"formula_anonymous": "ABC2",
"energy": -42.16832662,
"energy_per_atom": -5.2710408275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.42032662,
"band_gap": 1.6897000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0034318,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.106000Z",
"spacegroup": 11
},
{
"id": "mp-23548",
"created_at": "2022-09-04T14:43:05.433383Z",
"structure_string": "Ag2 Bi2 O6\n1.0\n5.602142 -2.889038 0.000000\n5.602142 2.889038 0.000000\n4.112258 0.000000 4.777015\nAg Bi O\n2 2 6\ndirect\n0.131610 0.131610 0.131610 Ag\n0.868390 0.868390 0.868390 Ag\n0.341992 0.341992 0.341992 Bi\n0.658008 0.658008 0.658008 Bi\n0.458114 0.708265 0.060033 O\n0.541886 0.291735 0.939967 O\n0.291735 0.939967 0.541886 O\n0.939967 0.541886 0.291735 O\n0.060033 0.458114 0.708265 O\n0.708265 0.060033 0.458114 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ag",
"Bi",
"O"
],
"chemical_system": "Ag-Bi-O",
"density": 7.8360223650541085,
"density_atomic": 0.0646704722326901,
"volume": 154.63007543874295,
"volume_molar": 9.312040800215287,
"formula_full": "Ag2 Bi2 O6",
"formula_reduced": "AgBiO3",
"formula_anonymous": "ABC3",
"energy": -53.18382012,
"energy_per_atom": -5.318382012,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.06182012000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003776,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:57.328000Z",
"spacegroup": 148
},
{
"id": "mp-775774",
"created_at": "2022-09-04T14:47:12.609981Z",
"structure_string": "Ag2 Bi2 O6\n1.0\n4.030136 -5.443666 0.000000\n4.030136 5.443666 0.000000\n0.000000 0.000000 3.520904\nAg Bi O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.000000 Ag\n0.000000 0.500000 0.500000 Bi\n0.500000 0.000000 0.500000 Bi\n0.046751 0.311639 0.000000 O\n0.311639 0.046751 0.000000 O\n0.357488 0.642512 0.500000 O\n0.642512 0.357488 0.500000 O\n0.953249 0.688361 0.000000 O\n0.688361 0.953249 0.000000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ag",
"Bi",
"O"
],
"chemical_system": "Ag-Bi-O",
"density": 7.843217926395456,
"density_atomic": 0.06472985699810366,
"volume": 154.488213998263,
"volume_molar": 9.303497704585421,
"formula_full": "Ag2 Bi2 O6",
"formula_reduced": "AgBiO3",
"formula_anonymous": "ABC3",
"energy": -53.40340333,
"energy_per_atom": -5.340340333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.28140333,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6441786,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.637000Z",
"spacegroup": 65
}
]
}