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=-density_atomic&page=10161",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density_atomic&page=10159",
"results": [
{
"id": "mp-1183987",
"created_at": "2022-09-04T14:44:26.490813Z",
"structure_string": "Ga1 Hg3\n1.0\n0.000000 3.690323 3.690323\n3.690323 0.000000 3.690323\n3.690323 3.690323 0.000000\nGa Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ga",
"Hg"
],
"chemical_system": "Ga-Hg",
"density": 11.09347097936096,
"density_atomic": 0.03979576482719768,
"volume": 100.51320831171144,
"volume_molar": 15.132617217308205,
"formula_full": "Ga1 Hg3",
"formula_reduced": "GaHg3",
"formula_anonymous": "AB3",
"energy": -3.66224168,
"energy_per_atom": -0.91556042,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.66224168,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0272248,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.639000Z",
"spacegroup": 225
},
{
"id": "mp-726709",
"created_at": "2022-09-04T14:39:47.863046Z",
"structure_string": "Ti1 N2 Cl6\n1.0\n0.000000 4.835711 4.835711\n4.835711 0.000000 4.835711\n4.835711 4.835711 0.000000\nTi N Cl\n1 2 6\ndirect\n0.500000 0.500000 0.500000 Ti\n0.750000 0.750000 0.750000 N\n0.250000 0.250000 0.250000 N\n0.742045 0.742045 0.257955 Cl\n0.257955 0.742045 0.257955 Cl\n0.742045 0.257955 0.257955 Cl\n0.257955 0.257955 0.742045 Cl\n0.742045 0.257955 0.742045 Cl\n0.257955 0.742045 0.742045 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ti",
"N",
"Cl"
],
"chemical_system": "Cl-N-Ti",
"density": 2.1190051248863195,
"density_atomic": 0.03979527406899357,
"volume": 226.15750765773305,
"volume_molar": 15.132803833840516,
"formula_full": "Ti1 N2 Cl6",
"formula_reduced": "Ti(NCl3)2",
"formula_anonymous": "AB2C6",
"energy": -34.80836206,
"energy_per_atom": -3.8675957844444446,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.12436206,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9964835,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:35.422000Z",
"spacegroup": 225
},
{
"id": "mp-570807",
"created_at": "2022-09-04T14:48:27.865389Z",
"structure_string": "Sr4 In13 Au9\n1.0\n6.472545 -11.210776 0.000000\n6.472545 11.210776 0.000000\n0.000000 0.000000 4.501985\nSr In Au\n4 13 9\ndirect\n0.206158 0.793842 0.500000 Sr\n0.587684 0.793842 0.500000 Sr\n0.206158 0.412316 0.500000 Sr\n0.666667 0.333333 0.000000 Sr\n0.951499 0.293748 0.000000 In\n0.706252 0.657751 0.000000 In\n0.951499 0.657751 0.000000 In\n0.342249 0.048501 0.000000 In\n0.166238 0.083119 0.500000 In\n0.916881 0.833762 0.500000 In\n0.706252 0.048501 0.000000 In\n0.532536 0.065071 0.500000 In\n0.916881 0.083119 0.500000 In\n0.342249 0.293748 0.000000 In\n0.532536 0.467464 0.500000 In\n0.934929 0.467464 0.500000 In\n0.333333 0.666667 0.000000 In\n0.453774 0.546226 0.000000 Au\n0.824669 0.912335 0.000000 Au\n0.453774 0.907547 0.000000 Au\n0.087665 0.175331 0.000000 Au\n0.087665 0.912335 0.000000 Au\n0.785441 0.570881 0.500000 Au\n0.092453 0.546226 0.000000 Au\n0.785441 0.214559 0.500000 Au\n0.429119 0.214559 0.500000 Au\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Sr",
"In",
"Au"
],
"chemical_system": "Au-In-Sr",
"density": 9.189889319475839,
"density_atomic": 0.039795004212430485,
"volume": 653.3483414452953,
"volume_molar": 15.132906451908116,
"formula_full": "Sr4 In13 Au9",
"formula_reduced": "Sr4In13Au9",
"formula_anonymous": "A4B9C13",
"energy": -83.93092812,
"energy_per_atom": -3.22811262,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.93092812,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019242,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:15.729000Z",
"spacegroup": 187
},
{
"id": "mp-1028285",
"created_at": "2022-09-04T14:42:19.035952Z",
"structure_string": "Cs1 Mg14 Al1\n1.0\n6.557755 -0.099475 0.000000\n-3.365026 5.828395 0.000000\n0.000000 0.000000 10.612451\nCs Mg Al\n1 14 1\ndirect\n0.162208 0.831104 0.125000 Cs\n0.165796 0.332898 0.625000 Mg\n0.171493 0.835746 0.625000 Mg\n0.656158 0.336726 0.125000 Mg\n0.669685 0.329228 0.625000 Mg\n0.656158 0.819431 0.125000 Mg\n0.669685 0.840456 0.625000 Mg\n0.334281 0.181623 0.388753 Mg\n0.334281 0.181623 0.861247 Mg\n0.334281 0.652659 0.388753 Mg\n0.334281 0.652659 0.861247 Mg\n0.835778 0.167890 0.363991 Mg\n0.835778 0.167890 0.886009 Mg\n0.817273 0.658637 0.395545 Mg\n0.817273 0.658637 0.854455 Mg\n0.205588 0.352794 0.125000 Al\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cs",
"Mg",
"Al"
],
"chemical_system": "Al-Cs-Mg",
"density": 2.065645654005469,
"density_atomic": 0.03979425381799854,
"volume": 402.06809940894937,
"volume_molar": 15.133191810914786,
"formula_full": "Cs1 Mg14 Al1",
"formula_reduced": "CsMg14Al",
"formula_anonymous": "ABC14",
"energy": -24.20410893,
"energy_per_atom": -1.512756808125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.20410893,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.089000Z",
"spacegroup": 38
},
{
"id": "mp-867502",
"created_at": "2022-09-04T14:40:44.130311Z",
"structure_string": "Eu2 Pt1 Au1\n1.0\n0.000000 3.690372 3.690372\n3.690372 0.000000 3.690372\n3.690372 3.690372 0.000000\nEu Pt Au\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Eu\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Eu",
"Pt",
"Au"
],
"chemical_system": "Au-Eu-Pt",
"density": 11.497529408708841,
"density_atomic": 0.0397941796483173,
"volume": 100.51721219912471,
"volume_molar": 15.133220016647956,
"formula_full": "Eu2 Pt1 Au1",
"formula_reduced": "Eu2PtAu",
"formula_anonymous": "ABC2",
"energy": -33.28294254,
"energy_per_atom": -8.320735635,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.28294254,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.1625038,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.992000Z",
"spacegroup": 225
},
{
"id": "mp-15776",
"created_at": "2022-09-04T14:45:53.059603Z",
"structure_string": "Zn1 Ga2 Se4\n1.0\n-2.818514 2.818514 5.535914\n2.818514 -2.818514 5.535914\n2.818514 2.818514 -5.535914\nZn Ga Se\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.000000 Ga\n0.250000 0.750000 0.500000 Ga\n0.397641 0.891027 0.023094 Se\n0.108973 0.132067 0.506614 Se\n0.625453 0.602359 0.493386 Se\n0.867933 0.374547 0.976906 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Zn",
"Ga",
"Se"
],
"chemical_system": "Ga-Se-Zn",
"density": 4.915218017446364,
"density_atomic": 0.039793150201491316,
"volume": 175.90967200525037,
"volume_molar": 15.133611512300703,
"formula_full": "Zn1 Ga2 Se4",
"formula_reduced": "Zn(GaSe2)2",
"formula_anonymous": "AB2C4",
"energy": -27.70651061,
"energy_per_atom": -3.958072944285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.81851061,
"band_gap": 1.4000999999999997,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001149,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:12.905000Z",
"spacegroup": 82
},
{
"id": "mp-978494",
"created_at": "2022-09-04T14:40:40.053478Z",
"structure_string": "Si1 Sn3\n1.0\n4.649622 0.000000 0.000000\n0.000000 4.649622 0.000000\n0.000000 0.000000 4.649622\nSi Sn\n1 3\ndirect\n0.000000 0.000000 0.000000 Si\n0.000000 0.500000 0.500000 Sn\n0.500000 0.000000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Si",
"Sn"
],
"chemical_system": "Si-Sn",
"density": 6.3470370882818,
"density_atomic": 0.03979303361554389,
"volume": 100.52010707817779,
"volume_molar": 15.133655850876474,
"formula_full": "Si1 Sn3",
"formula_reduced": "SiSn3",
"formula_anonymous": "AB3",
"energy": -16.16911576,
"energy_per_atom": -4.04227894,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.16911576,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0083016,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.973000Z",
"spacegroup": 221
},
{
"id": "mp-14474",
"created_at": "2022-09-04T14:40:29.596155Z",
"structure_string": "Ta4 Pt2 Se14\n1.0\n1.786945 7.848122 0.000000\n-1.786945 7.848122 0.000000\n0.000000 6.304355 17.919228\nTa Pt Se\n4 2 14\ndirect\n0.839165 0.839165 0.398442 Ta\n0.160835 0.160835 0.601558 Ta\n0.234827 0.234827 0.906870 Ta\n0.765173 0.765173 0.093130 Ta\n0.301542 0.301542 0.210614 Pt\n0.698458 0.698458 0.789386 Pt\n0.266934 0.266934 0.693041 Se\n0.733066 0.733066 0.306959 Se\n0.205629 0.205629 0.447937 Se\n0.794371 0.794371 0.552063 Se\n0.546388 0.546388 0.582223 Se\n0.453612 0.453612 0.417777 Se\n0.652624 0.652624 0.009968 Se\n0.347376 0.347376 0.990032 Se\n0.413530 0.413530 0.293343 Se\n0.586470 0.586470 0.706657 Se\n0.904565 0.904565 0.129779 Se\n0.095435 0.095435 0.870221 Se\n0.155540 0.155540 0.170745 Se\n0.844460 0.844460 0.829255 Se\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ta",
"Pt",
"Se"
],
"chemical_system": "Pt-Se-Ta",
"density": 7.332606221569608,
"density_atomic": 0.03979273350406418,
"volume": 502.6043259369785,
"volume_molar": 15.133769986887017,
"formula_full": "Ta4 Pt2 Se14",
"formula_reduced": "Ta2PtSe7",
"formula_anonymous": "AB2C7",
"energy": -127.54781739,
"energy_per_atom": -6.3773908695,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -120.93981739,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0051959,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:59.575000Z",
"spacegroup": 12
},
{
"id": "mp-545479",
"created_at": "2022-09-04T14:45:28.467685Z",
"structure_string": "B4 C1 Cl6 O1\n1.0\n4.234117 -5.778085 0.000000\n4.234117 5.778085 0.000000\n-3.650943 0.000000 6.163167\nB C Cl O\n4 1 6 1\ndirect\n0.682324 0.928225 0.682324 B\n0.928225 0.682324 0.682324 B\n0.697759 0.697759 0.697759 B\n0.682324 0.682324 0.928225 B\n0.506093 0.506093 0.506093 C\n0.468784 0.914686 0.468784 Cl\n0.878334 0.187273 0.878334 Cl\n0.187273 0.878334 0.878334 Cl\n0.878334 0.878334 0.187273 Cl\n0.468784 0.468784 0.914686 Cl\n0.914686 0.468784 0.468784 Cl\n0.359376 0.359376 0.359376 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"B",
"C",
"Cl",
"O"
],
"chemical_system": "B-C-Cl-O",
"density": 1.5636662346876007,
"density_atomic": 0.03979243666628703,
"volume": 301.56484511456534,
"volume_molar": 15.13388287956259,
"formula_full": "B4 C1 Cl6 O1",
"formula_reduced": "B4CCl6O",
"formula_anonymous": "ABC4D6",
"energy": -64.60163013,
"energy_per_atom": -5.3834691775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.23063013,
"band_gap": 4.0708,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003155,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:59.715000Z",
"spacegroup": 160
},
{
"id": "mp-653981",
"created_at": "2022-09-04T14:48:10.933224Z",
"structure_string": "Zr6 Ni1 Cl15\n1.0\n-5.170378 5.170378 5.170378\n5.170378 -5.170378 5.170378\n5.170378 5.170378 -5.170378\nZr Ni Cl\n6 1 15\ndirect\n0.757479 0.000000 0.757479 Zr\n0.000000 0.757479 0.757479 Zr\n0.242521 0.000000 0.242521 Zr\n0.000000 0.242521 0.242521 Zr\n0.242521 0.242521 0.000000 Zr\n0.757479 0.757479 0.000000 Zr\n0.000000 0.000000 0.000000 Ni\n0.503949 0.751974 0.751974 Cl\n0.248026 0.496051 0.248026 Cl\n0.000000 0.751974 0.248026 Cl\n0.248026 0.000000 0.751974 Cl\n0.751974 0.000000 0.248026 Cl\n0.751974 0.503949 0.751974 Cl\n0.248026 0.751974 0.000000 Cl\n0.751974 0.248026 0.000000 Cl\n0.000000 0.248026 0.751974 Cl\n0.500000 0.500000 0.000000 Cl\n0.751974 0.751974 0.503949 Cl\n0.500000 0.000000 0.500000 Cl\n0.248026 0.248026 0.496051 Cl\n0.496051 0.248026 0.248026 Cl\n0.000000 0.500000 0.500000 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Zr",
"Ni",
"Cl"
],
"chemical_system": "Cl-Ni-Zr",
"density": 3.4174370018619897,
"density_atomic": 0.03979200335274883,
"volume": 552.8749031551396,
"volume_molar": 15.134047679416447,
"formula_full": "Zr6 Ni1 Cl15",
"formula_reduced": "Zr6NiCl15",
"formula_anonymous": "AB6C15",
"energy": -130.08715301,
"energy_per_atom": -5.913052409545455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -120.87715301,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9690586,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:23.432000Z",
"spacegroup": 229
},
{
"id": "mp-32682",
"created_at": "2022-09-04T14:47:26.391216Z",
"structure_string": "Te24 Ir9\n1.0\n-9.149863 0.000000 0.000000\n4.574792 7.999204 0.000000\n-0.005882 -0.114605 -11.330877\nTe Ir\n24 9\ndirect\n0.830472 0.665090 0.205774 Te\n0.415923 0.346986 0.292251 Te\n0.738584 0.255668 0.378594 Te\n0.163879 0.583993 0.291585 Te\n0.515184 0.753787 0.375345 Te\n0.914238 0.084851 0.292005 Te\n0.172504 0.331489 0.537599 Te\n0.747191 0.993017 0.625922 Te\n0.252809 0.006983 0.374078 Te\n0.827496 0.668511 0.462401 Te\n0.085762 0.915149 0.707995 Te\n0.484816 0.246213 0.624655 Te\n0.836121 0.416007 0.708415 Te\n0.261416 0.744332 0.621406 Te\n0.497534 0.999074 0.871533 Te\n0.090516 0.671788 0.959711 Te\n0.584077 0.653014 0.707749 Te\n0.169528 0.334910 0.794226 Te\n0.410487 0.583168 0.042871 Te\n0.826395 0.912751 0.955166 Te\n0.173605 0.087249 0.044834 Te\n0.589513 0.416832 0.957129 Te\n0.909484 0.328212 0.040289 Te\n0.502466 0.000926 0.128467 Te\n0.163052 0.831864 0.167463 Ir\n0.000000 0.500000 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.836948 0.168136 0.832537 Ir\n0.000000 0.000000 0.500000 Ir\n0.333137 0.166379 0.834233 Ir\n0.836542 0.666563 0.833948 Ir\n0.666863 0.833621 0.165767 Ir\n0.163458 0.333437 0.166052 Ir\n",
"nsites": 33,
"nelements": 2,
"elements": [
"Te",
"Ir"
],
"chemical_system": "Ir-Te",
"density": 9.595619283592113,
"density_atomic": 0.03979138454177617,
"volume": 829.325251684921,
"volume_molar": 15.134283034754613,
"formula_full": "Te24 Ir9",
"formula_reduced": "Te8Ir3",
"formula_anonymous": "A3B8",
"energy": -172.93153746000002,
"energy_per_atom": -5.240349620000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -162.80353746,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1847178,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:06.804000Z",
"spacegroup": 2
},
{
"id": "mp-1211579",
"created_at": "2022-09-04T14:42:27.639419Z",
"structure_string": "K2 H4 Os2 N2 Cl8\n1.0\n4.327639 -6.799088 0.000000\n4.327639 6.799088 0.000000\n0.000000 0.000000 7.686947\nK H Os N Cl\n2 4 2 2 8\ndirect\n0.353087 0.646913 0.651014 K\n0.646913 0.353087 0.151014 K\n0.572892 0.427108 0.506867 H\n0.427108 0.572892 0.006867 H\n0.857485 0.142515 0.062224 H\n0.142515 0.857485 0.562224 H\n0.845237 0.154763 0.710204 Os\n0.154763 0.845237 0.210204 Os\n0.837774 0.162226 0.495439 N\n0.162226 0.837774 0.995439 N\n0.911681 0.455294 0.796795 Cl\n0.088319 0.544706 0.296795 Cl\n0.455294 0.911681 0.296795 Cl\n0.544706 0.088319 0.796795 Cl\n0.150456 0.219028 0.772331 Cl\n0.849544 0.780972 0.272331 Cl\n0.219028 0.150456 0.272331 Cl\n0.780972 0.849544 0.772331 Cl\n",
"nsites": 18,
"nelements": 5,
"elements": [
"K",
"H",
"Os",
"N",
"Cl"
],
"chemical_system": "Cl-H-K-N-Os",
"density": 2.8424133509006126,
"density_atomic": 0.03979119065554001,
"volume": 452.36143235371907,
"volume_molar": 15.134356777940635,
"formula_full": "K2 H4 Os2 N2 Cl8",
"formula_reduced": "KH2OsNCl4",
"formula_anonymous": "ABCD2E4",
"energy": -76.00633662,
"energy_per_atom": -4.222574256666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.37233662,
"band_gap": 1.5572,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9992809,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.189000Z",
"spacegroup": 36
}
]
}