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=-volume_molar&page=1769",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume_molar&page=1767",
"results": [
{
"id": "mp-1393",
"created_at": "2022-09-04T14:46:41.163803Z",
"structure_string": "Sn8 Au2\n1.0\n3.341189 -5.935790 0.000000\n3.341189 5.935790 0.000000\n0.000000 0.000000 6.658224\nSn Au\n8 2\ndirect\n0.033569 0.286567 0.666685 Sn\n0.713433 0.966431 0.333315 Sn\n0.533569 0.786567 0.833315 Sn\n0.213433 0.466431 0.166685 Sn\n0.466431 0.213433 0.833315 Sn\n0.786567 0.533569 0.166685 Sn\n0.966431 0.713433 0.666685 Sn\n0.286567 0.033569 0.333315 Sn\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Sn",
"Au"
],
"chemical_system": "Au-Sn",
"density": 8.44802851267089,
"density_atomic": 0.03786448303200421,
"volume": 264.0997367255139,
"volume_molar": 15.904457892399863,
"formula_full": "Sn8 Au2",
"formula_reduced": "Sn4Au",
"formula_anonymous": "AB4",
"energy": -39.37203868,
"energy_per_atom": -3.937203868,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.37203868,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.78e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:43.136000Z",
"spacegroup": 68
},
{
"id": "mp-1201043",
"created_at": "2022-09-04T14:41:33.477751Z",
"structure_string": "Rb16 Sn16 H24 N8\n1.0\n9.706361 0.000000 0.000000\n0.000000 13.434593 0.000000\n0.000000 3.955637 12.961765\nRb Sn H N\n16 16 24 8\ndirect\n0.549391 0.180713 0.573173 Rb\n0.049391 0.319287 0.426827 Rb\n0.450609 0.819287 0.426827 Rb\n0.950609 0.680713 0.573173 Rb\n0.220979 0.921539 0.866849 Rb\n0.720979 0.578461 0.133151 Rb\n0.779021 0.078461 0.133151 Rb\n0.279021 0.421539 0.866849 Rb\n0.202152 0.011896 0.536086 Rb\n0.702152 0.488104 0.463914 Rb\n0.797848 0.988104 0.463914 Rb\n0.297848 0.511896 0.536086 Rb\n0.719992 0.935593 0.907649 Rb\n0.219992 0.564407 0.092351 Rb\n0.280008 0.064407 0.092351 Rb\n0.780008 0.435593 0.907649 Rb\n0.212867 0.212364 0.716346 Sn\n0.712867 0.287636 0.283654 Sn\n0.787133 0.787636 0.283654 Sn\n0.287133 0.712364 0.716346 Sn\n0.002980 0.190247 0.883640 Sn\n0.502980 0.309753 0.116360 Sn\n0.997020 0.809753 0.116360 Sn\n0.497020 0.690247 0.883640 Sn\n0.984312 0.367794 0.690276 Sn\n0.484312 0.132206 0.309724 Sn\n0.015688 0.632206 0.309724 Sn\n0.515688 0.867794 0.690276 Sn\n0.920987 0.151172 0.686933 Sn\n0.420987 0.348828 0.313067 Sn\n0.079013 0.848828 0.313067 Sn\n0.579013 0.651172 0.686933 Sn\n0.154495 0.169477 0.302016 H\n0.654495 0.330523 0.697984 H\n0.845505 0.830523 0.697984 H\n0.345505 0.669477 0.302016 H\n0.983273 0.169362 0.293967 H\n0.483273 0.330638 0.706033 H\n0.016727 0.830638 0.706033 H\n0.516727 0.669362 0.293967 H\n0.663254 0.170793 0.875133 H\n0.163254 0.329207 0.124867 H\n0.336746 0.829207 0.124867 H\n0.836746 0.670793 0.875133 H\n0.499408 0.139883 0.870530 H\n0.999408 0.360117 0.129470 H\n0.500592 0.860117 0.129470 H\n0.000592 0.639883 0.870530 H\n0.553660 0.188256 0.961223 H\n0.053660 0.311744 0.038777 H\n0.446340 0.811744 0.038777 H\n0.946340 0.688256 0.961223 H\n0.071985 0.059444 0.313998 H\n0.571985 0.440556 0.686002 H\n0.928015 0.940556 0.686002 H\n0.428015 0.559444 0.313998 H\n0.066785 0.128839 0.332528 N\n0.566785 0.371161 0.667472 N\n0.933215 0.871161 0.667472 N\n0.433215 0.628839 0.332528 N\n0.580441 0.137388 0.920000 N\n0.080441 0.362612 0.080000 N\n0.419559 0.862612 0.080000 N\n0.919559 0.637388 0.920000 N\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Rb",
"Sn",
"H",
"N"
],
"chemical_system": "H-N-Rb-Sn",
"density": 3.3433150445402164,
"density_atomic": 0.037864731101625415,
"volume": 1690.2272414989548,
"volume_molar": 15.904353694833155,
"formula_full": "Rb16 Sn16 H24 N8",
"formula_reduced": "Rb2Sn2H3N",
"formula_anonymous": "AB2C2D3",
"energy": -255.07204894,
"energy_per_atom": -3.9855007646875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -247.88804894,
"band_gap": 1.157,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.33e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:22.694000Z",
"spacegroup": 14
},
{
"id": "mp-1212943",
"created_at": "2022-09-04T14:39:59.299178Z",
"structure_string": "Er16 Mg4 Rh4\n1.0\n0.000000 6.817724 6.817724\n6.817724 0.000000 6.817724\n6.817724 6.817724 0.000000\nEr Mg Rh\n16 4 4\ndirect\n0.346141 0.346141 0.346141 Er\n0.346141 0.346141 0.961576 Er\n0.346141 0.961576 0.346141 Er\n0.961576 0.346141 0.346141 Er\n0.812526 0.187474 0.187474 Er\n0.187474 0.812526 0.812526 Er\n0.187474 0.812526 0.187474 Er\n0.812526 0.187474 0.812526 Er\n0.187474 0.187474 0.812526 Er\n0.812526 0.812526 0.187474 Er\n0.935697 0.564303 0.564303 Er\n0.564303 0.935697 0.935697 Er\n0.564303 0.935697 0.564303 Er\n0.935697 0.564303 0.935697 Er\n0.564303 0.564303 0.935697 Er\n0.935697 0.935697 0.564303 Er\n0.579238 0.579238 0.579238 Mg\n0.579238 0.579238 0.262285 Mg\n0.579238 0.262285 0.579238 Mg\n0.262285 0.579238 0.579238 Mg\n0.141572 0.141572 0.141572 Rh\n0.141572 0.141572 0.575283 Rh\n0.141572 0.575283 0.141572 Rh\n0.575283 0.141572 0.141572 Rh\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Er",
"Mg",
"Rh"
],
"chemical_system": "Er-Mg-Rh",
"density": 8.344654923324669,
"density_atomic": 0.03786718300871985,
"volume": 633.7941746148217,
"volume_molar": 15.903323884993645,
"formula_full": "Er16 Mg4 Rh4",
"formula_reduced": "Er4MgRh",
"formula_anonymous": "ABC4",
"energy": -118.71677224,
"energy_per_atom": -4.946532176666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -118.71677224,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1189181,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.366000Z",
"spacegroup": 216
},
{
"id": "mp-1094446",
"created_at": "2022-09-04T14:42:13.609132Z",
"structure_string": "Y2 Mg4\n1.0\n2.961214 -5.128972 0.000000\n2.961214 5.128972 0.000000\n0.000000 0.000000 5.215998\nY Mg\n2 4\ndirect\n0.333333 0.666667 0.500000 Y\n0.666667 0.333333 0.500000 Y\n0.680750 0.000000 0.000000 Mg\n0.000000 0.680750 0.000000 Mg\n0.319250 0.319250 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 2.882466819103659,
"density_atomic": 0.03786898948740191,
"volume": 158.4409851230927,
"volume_molar": 15.902565242738836,
"formula_full": "Y2 Mg4",
"formula_reduced": "YMg2",
"formula_anonymous": "AB2",
"energy": -19.15951551,
"energy_per_atom": -3.1932525849999998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.15951551,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002131,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.268000Z",
"spacegroup": 189
},
{
"id": "mp-1246206",
"created_at": "2022-09-04T14:43:43.864184Z",
"structure_string": "Ba6 Bi4 N8\n1.0\n8.646176 -1.343821 -0.501240\n-7.872019 10.059490 0.000000\n-0.530596 -0.415216 6.278155\nBa Bi N\n6 4 8\ndirect\n0.223597 0.005282 0.043581 Ba\n0.776403 0.781685 0.456419 Ba\n0.776403 0.994718 0.956419 Ba\n0.223597 0.218315 0.543581 Ba\n0.000000 0.605012 0.750000 Ba\n0.000000 0.394988 0.250000 Ba\n0.578659 0.179057 0.634222 Bi\n0.421341 0.600398 0.865778 Bi\n0.421341 0.820943 0.365778 Bi\n0.578659 0.399602 0.134222 Bi\n0.213971 0.007409 0.585902 N\n0.786029 0.793438 0.914098 N\n0.786029 0.992591 0.414098 N\n0.213971 0.206562 0.085902 N\n0.688151 0.322199 0.939147 N\n0.311849 0.634048 0.560853 N\n0.311849 0.677801 0.060853 N\n0.688151 0.365952 0.439147 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"N"
],
"chemical_system": "Ba-Bi-N",
"density": 6.190270775840174,
"density_atomic": 0.037869077719860485,
"volume": 475.32184789807746,
"volume_molar": 15.902528190808518,
"formula_full": "Ba6 Bi4 N8",
"formula_reduced": "Ba3(BiN2)2",
"formula_anonymous": "A2B3C4",
"energy": -98.61319857,
"energy_per_atom": -5.478511031666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -95.72519857,
"band_gap": 0.8849,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010631,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.295000Z",
"spacegroup": 15
},
{
"id": "mp-568943",
"created_at": "2022-09-04T14:47:15.056150Z",
"structure_string": "K4 C4 Se4 N4\n1.0\n7.751164 0.000000 0.000000\n0.000000 4.603985 0.000000\n0.000000 2.160711 11.839432\nK C Se N\n4 4 4 4\ndirect\n0.695538 0.628919 0.096665 K\n0.304462 0.371081 0.903335 K\n0.804462 0.628919 0.596665 K\n0.195538 0.371081 0.403335 K\n0.776650 0.159278 0.884364 C\n0.723350 0.159278 0.384364 C\n0.223350 0.840722 0.115636 C\n0.276650 0.840722 0.615636 C\n0.448242 0.961161 0.697737 Se\n0.948242 0.038839 0.802263 Se\n0.051758 0.961161 0.197737 Se\n0.551758 0.038839 0.302263 Se\n0.663955 0.237923 0.938788 N\n0.836045 0.237923 0.438788 N\n0.163955 0.762077 0.561212 N\n0.336045 0.762077 0.061212 N\n",
"nsites": 16,
"nelements": 4,
"elements": [
"K",
"C",
"Se",
"N"
],
"chemical_system": "C-K-N-Se",
"density": 2.264999621424668,
"density_atomic": 0.03786938823487878,
"volume": 422.5048448304097,
"volume_molar": 15.902397795941788,
"formula_full": "K4 C4 Se4 N4",
"formula_reduced": "KCSeN",
"formula_anonymous": "ABCD",
"energy": -97.14856588,
"energy_per_atom": -6.0717853675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -93.81656588,
"band_gap": 3.6215,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0021483,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:59.721000Z",
"spacegroup": 14
},
{
"id": "mp-1220002",
"created_at": "2022-09-04T14:39:41.779248Z",
"structure_string": "Re12 Pb4 Se24\n1.0\n4.981276 8.538866 0.000000\n-4.981276 8.538866 0.000000\n0.000000 0.079902 12.416511\nRe Pb Se\n12 4 24\ndirect\n0.600034 0.810169 0.081423 Re\n0.186908 0.398400 0.424251 Re\n0.398400 0.186908 0.924251 Re\n0.810169 0.600034 0.581423 Re\n0.477861 0.110241 0.129794 Re\n0.886812 0.522188 0.373617 Re\n0.522188 0.886812 0.873617 Re\n0.110241 0.477861 0.629794 Re\n0.308532 0.009067 0.029988 Re\n0.985890 0.691529 0.474491 Re\n0.691529 0.985890 0.974491 Re\n0.009067 0.308532 0.529988 Re\n0.763015 0.261487 0.226147 Pb\n0.261487 0.763015 0.726147 Pb\n0.653854 0.114445 0.495895 Pb\n0.114445 0.653854 0.995895 Pb\n0.605567 0.063799 0.780402 Se\n0.935960 0.392867 0.725095 Se\n0.392867 0.935960 0.225095 Se\n0.063799 0.605567 0.280402 Se\n0.454407 0.265875 0.311180 Se\n0.745213 0.547526 0.190944 Se\n0.547526 0.745213 0.690944 Se\n0.265875 0.454407 0.811180 Se\n0.008565 0.057212 0.586877 Se\n0.950456 0.975833 0.919142 Se\n0.975833 0.950456 0.419142 Se\n0.057212 0.008565 0.086877 Se\n0.238502 0.081729 0.834441 Se\n0.914539 0.759962 0.671187 Se\n0.759962 0.914539 0.171187 Se\n0.081729 0.238502 0.334441 Se\n0.571642 0.274059 0.022711 Se\n0.721485 0.431113 0.479853 Se\n0.431113 0.721485 0.979853 Se\n0.274059 0.571642 0.522711 Se\n0.692899 0.800940 0.431777 Se\n0.197788 0.295631 0.076785 Se\n0.295631 0.197788 0.576785 Se\n0.800940 0.692899 0.931777 Se\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Re",
"Pb",
"Se"
],
"chemical_system": "Pb-Re-Se",
"density": 7.794955182843441,
"density_atomic": 0.037869503763930716,
"volume": 1056.2588897216683,
"volume_molar": 15.902349282263009,
"formula_full": "Re12 Pb4 Se24",
"formula_reduced": "Re3PbSe6",
"formula_anonymous": "AB3C6",
"energy": -275.22063154999995,
"energy_per_atom": -6.880515788749999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -263.89263155,
"band_gap": 0.8872,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0067395,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.843000Z",
"spacegroup": 9
},
{
"id": "mp-866223",
"created_at": "2022-09-04T14:48:12.535956Z",
"structure_string": "Ca1 Y1 Hg2\n1.0\n0.000000 3.751843 3.751843\n3.751843 0.000000 3.751843\n3.751843 3.751843 0.000000\nCa Y Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Y",
"Hg"
],
"chemical_system": "Ca-Hg-Y",
"density": 8.334801160619753,
"density_atomic": 0.03787006285940414,
"volume": 105.62432956212255,
"volume_molar": 15.902114507593282,
"formula_full": "Ca1 Y1 Hg2",
"formula_reduced": "CaYHg2",
"formula_anonymous": "ABC2",
"energy": -11.23157647,
"energy_per_atom": -2.8078941175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.23157647,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001282,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.587000Z",
"spacegroup": 225
},
{
"id": "mp-1227964",
"created_at": "2022-09-04T14:48:00.252728Z",
"structure_string": "Ba1 Cu1 Ge1\n1.0\n2.135660 -3.699072 0.000000\n2.135660 3.699072 0.000000\n0.000000 0.000000 5.013808\nBa Cu Ge\n1 1 1\ndirect\n0.333333 0.666667 0.000000 Ba\n0.666667 0.333333 0.500000 Cu\n0.000000 0.000000 0.500000 Ge\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Cu",
"Ge"
],
"chemical_system": "Ba-Cu-Ge",
"density": 5.733297497702866,
"density_atomic": 0.037870292704976515,
"volume": 79.21776637352929,
"volume_molar": 15.902017993139603,
"formula_full": "Ba1 Cu1 Ge1",
"formula_reduced": "BaCuGe",
"formula_anonymous": "ABC",
"energy": -11.69377455,
"energy_per_atom": -3.8979248500000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.69377455,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010026,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.004000Z",
"spacegroup": 187
},
{
"id": "mp-867894",
"created_at": "2022-09-04T14:40:05.032164Z",
"structure_string": "Sm2 Mg1 Al1\n1.0\n0.000000 3.751820 3.751820\n3.751820 0.000000 3.751820\n3.751820 3.751820 0.000000\nSm Mg Al\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sm\n0.750000 0.750000 0.750000 Sm\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Al\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Mg",
"Al"
],
"chemical_system": "Al-Mg-Sm",
"density": 5.534059827834873,
"density_atomic": 0.037870759334809725,
"volume": 105.62238704105712,
"volume_molar": 15.901822054211145,
"formula_full": "Sm2 Mg1 Al1",
"formula_reduced": "Sm2MgAl",
"formula_anonymous": "ABC2",
"energy": -15.83817319,
"energy_per_atom": -3.9595432975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.83817319,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015969,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.491000Z",
"spacegroup": 225
},
{
"id": "mp-20389",
"created_at": "2022-09-04T14:44:23.635635Z",
"structure_string": "Na2 Cd1 Pb1\n1.0\n0.000000 3.751766 3.751766\n3.751766 0.000000 3.751766\n3.751766 3.751766 0.000000\nNa Cd Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.750000 0.750000 0.750000 Cd\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Cd",
"Pb"
],
"chemical_system": "Cd-Na-Pb",
"density": 5.747868443810238,
"density_atomic": 0.03787239460505738,
"volume": 105.61782643302544,
"volume_molar": 15.901135438623196,
"formula_full": "Na2 Cd1 Pb1",
"formula_reduced": "Na2CdPb",
"formula_anonymous": "ABC2",
"energy": -7.88647864,
"energy_per_atom": -1.97161966,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.88647864,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001462,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:34.002000Z",
"spacegroup": 216
},
{
"id": "mp-1219254",
"created_at": "2022-09-04T14:40:08.651589Z",
"structure_string": "Sc1 In1 P2\n1.0\n4.209965 0.000000 0.000000\n0.000000 4.209965 0.000000\n0.000000 0.000000 5.958872\nSc In P\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 In\n0.000000 0.500000 0.247342 P\n0.500000 0.000000 0.752658 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"In",
"P"
],
"chemical_system": "In-P-Sc",
"density": 3.4860671862443477,
"density_atomic": 0.03787380720668891,
"volume": 105.61388714292124,
"volume_molar": 15.900542364635651,
"formula_full": "Sc1 In1 P2",
"formula_reduced": "ScInP2",
"formula_anonymous": "ABC2",
"energy": -22.11085194,
"energy_per_atom": -5.527712985,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.11085194,
"band_gap": 0.9771999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001368,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.891000Z",
"spacegroup": 115
}
]
}