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=-id&page=10407",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=10405",
"results": [
{
"id": "mp-1105026",
"created_at": "2022-09-04T14:42:48.507430Z",
"structure_string": "Ho4 Te10\n1.0\n2.189832 -21.865473 0.000000\n2.189832 21.865473 0.000000\n0.000000 0.000000 4.381618\nHo Te\n4 10\ndirect\n0.099667 0.900333 0.750000 Ho\n0.900333 0.099667 0.250000 Ho\n0.306393 0.693607 0.750000 Ho\n0.693607 0.306393 0.250000 Ho\n0.955830 0.044170 0.750000 Te\n0.044170 0.955830 0.250000 Te\n0.544241 0.455759 0.750000 Te\n0.455759 0.544241 0.250000 Te\n0.750001 0.249999 0.750000 Te\n0.249999 0.750001 0.250000 Te\n0.173514 0.826486 0.750000 Te\n0.826486 0.173514 0.250000 Te\n0.378501 0.621499 0.750000 Te\n0.621499 0.378501 0.250000 Te\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Ho",
"Te"
],
"chemical_system": "Ho-Te",
"density": 7.660510987177004,
"density_atomic": 0.033365209305313066,
"volume": 419.59874646344997,
"volume_molar": 18.0491622423032,
"formula_full": "Ho4 Te10",
"formula_reduced": "Ho2Te5",
"formula_anonymous": "A2B5",
"energy": -67.49786327,
"energy_per_atom": -4.821275947857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.27786327,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0186969,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:48.888000Z",
"spacegroup": 63
},
{
"id": "mp-1105025",
"created_at": "2022-09-04T14:45:13.126813Z",
"structure_string": "In6 Te9\n1.0\n-6.588290 6.588290 3.823875\n6.588290 -6.588290 3.823875\n6.588290 6.588290 -3.823875\nIn Te\n6 9\ndirect\n0.477120 0.977120 0.500000 In\n0.977120 0.477120 0.500000 In\n0.501409 0.678186 0.176777 In\n0.501409 0.324633 0.823223 In\n0.678186 0.501409 0.176777 In\n0.324633 0.501409 0.823223 In\n0.824435 0.824435 0.000000 Te\n0.588450 0.916802 0.000000 Te\n0.916802 0.588450 0.000000 Te\n0.588450 0.588450 0.671648 Te\n0.916802 0.916802 0.328352 Te\n0.238796 0.574831 0.336035 Te\n0.238796 0.902761 0.663965 Te\n0.574831 0.238796 0.336035 Te\n0.902761 0.238796 0.663965 Te\n",
"nsites": 15,
"nelements": 2,
"elements": [
"In",
"Te"
],
"chemical_system": "In-Te",
"density": 4.59538571842013,
"density_atomic": 0.02259342988686435,
"volume": 663.9098213556715,
"volume_molar": 26.65438930766872,
"formula_full": "In6 Te9",
"formula_reduced": "In2Te3",
"formula_anonymous": "A2B3",
"energy": -48.544026,
"energy_per_atom": -3.2362684,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.746026,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026961,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:52.165000Z",
"spacegroup": 107
},
{
"id": "mp-1105024",
"created_at": "2022-09-04T14:43:03.712760Z",
"structure_string": "Tl2 Te6 Mo6\n1.0\n0.000000 0.000000 -4.611730\n-4.948259 -8.425523 0.000000\n-4.859629 8.372302 0.000000\nTl Te Mo\n2 6 6\ndirect\n0.750000 0.664400 0.331056 Tl\n0.250000 0.335600 0.668944 Tl\n0.750000 0.647813 0.689606 Te\n0.750000 0.309901 0.952638 Te\n0.750000 0.042977 0.357878 Te\n0.250000 0.352187 0.310394 Te\n0.250000 0.690099 0.047362 Te\n0.250000 0.957023 0.642122 Te\n0.750000 0.980258 0.832024 Mo\n0.750000 0.165476 0.146158 Mo\n0.750000 0.854403 0.021921 Mo\n0.250000 0.019742 0.167976 Mo\n0.250000 0.834524 0.853842 Mo\n0.250000 0.145597 0.978079 Mo\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tl",
"Te",
"Mo"
],
"chemical_system": "Mo-Te-Tl",
"density": 7.649601136112109,
"density_atomic": 0.036853440862234424,
"volume": 379.8831173548982,
"volume_molar": 16.340782893277115,
"formula_full": "Tl2 Te6 Mo6",
"formula_reduced": "Tl(TeMo)3",
"formula_anonymous": "AB3C3",
"energy": -92.65987667,
"energy_per_atom": -6.618562619285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -92.65987667,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0082276,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.919000Z",
"spacegroup": 11
},
{
"id": "mp-1105020",
"created_at": "2022-09-04T14:39:25.512287Z",
"structure_string": "Pu12 Co2\n1.0\n0.000000 0.000000 5.188097\n-5.278492 5.278492 2.594049\n-5.278492 -5.278492 2.594049\nPu Co\n12 2\ndirect\n0.097213 0.500000 0.305573 Pu\n0.902787 0.500000 0.694427 Pu\n0.402787 0.694427 0.500000 Pu\n0.597213 0.305573 0.500000 Pu\n0.097628 0.116571 0.688174 Pu\n0.902372 0.883429 0.311826 Pu\n0.785802 0.311826 0.116571 Pu\n0.402372 0.311826 0.883429 Pu\n0.214198 0.688174 0.883429 Pu\n0.597628 0.688174 0.116571 Pu\n0.714198 0.883429 0.688174 Pu\n0.285802 0.116571 0.311826 Pu\n0.250000 0.000000 0.000000 Co\n0.750000 0.000000 0.000000 Co\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Pu",
"Co"
],
"chemical_system": "Co-Pu",
"density": 17.494523890480753,
"density_atomic": 0.04842506555505629,
"volume": 289.10647491190014,
"volume_molar": 12.435999189620508,
"formula_full": "Pu12 Co2",
"formula_reduced": "Pu6Co",
"formula_anonymous": "AB6",
"energy": -178.02702167,
"energy_per_atom": -12.716215833571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -178.02702167,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 35.3474108,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.109000Z",
"spacegroup": 140
},
{
"id": "mp-1105019",
"created_at": "2022-09-04T14:40:07.691033Z",
"structure_string": "Dy3 Ga9 Ru3\n1.0\n6.439491 0.000000 0.000000\n0.000000 6.439491 0.000000\n0.000000 0.000000 6.439491\nDy Ga Ru\n3 9 3\ndirect\n0.500000 0.500000 0.000000 Dy\n0.500000 0.000000 0.500000 Dy\n0.000000 0.500000 0.500000 Dy\n0.500000 0.500000 0.500000 Ga\n0.210736 0.210736 0.789264 Ga\n0.210736 0.789264 0.210736 Ga\n0.789264 0.210736 0.210736 Ga\n0.789264 0.789264 0.789264 Ga\n0.789264 0.789264 0.210736 Ga\n0.789264 0.210736 0.789264 Ga\n0.210736 0.789264 0.789264 Ga\n0.210736 0.210736 0.210736 Ga\n0.000000 0.000000 0.500000 Ru\n0.000000 0.500000 0.000000 Ru\n0.500000 0.000000 0.000000 Ru\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Dy",
"Ga",
"Ru"
],
"chemical_system": "Dy-Ga-Ru",
"density": 8.81936187135674,
"density_atomic": 0.056174166528508845,
"volume": 267.0266588181131,
"volume_molar": 10.720480840501148,
"formula_full": "Dy3 Ga9 Ru3",
"formula_reduced": "DyGa3Ru",
"formula_anonymous": "ABC3",
"energy": -77.70848031,
"energy_per_atom": -5.180565354,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.70848031,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001121,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:46.503000Z",
"spacegroup": 221
},
{
"id": "mp-1105018",
"created_at": "2022-09-04T14:44:27.736130Z",
"structure_string": "Al4 O6\n1.0\n4.613763 0.000000 0.000000\n0.000000 4.613763 0.000000\n0.000000 0.000000 4.613763\nAl O\n4 6\ndirect\n0.250000 0.750000 0.750000 Al\n0.750000 0.250000 0.750000 Al\n0.750000 0.750000 0.250000 Al\n0.250000 0.250000 0.250000 Al\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Al",
"O"
],
"chemical_system": "Al-O",
"density": 3.44785119845661,
"density_atomic": 0.10182024889256588,
"volume": 98.21229184532196,
"volume_molar": 5.91448245854729,
"formula_full": "Al4 O6",
"formula_reduced": "Al2O3",
"formula_anonymous": "A2B3",
"energy": -70.22884566,
"energy_per_atom": -7.022884566,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.10684566,
"band_gap": 0.2338000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004147,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:41.857000Z",
"spacegroup": 224
},
{
"id": "mp-1105011",
"created_at": "2022-09-04T14:41:57.430776Z",
"structure_string": "W2 S4 N4 O4\n1.0\n3.954154 5.994303 0.000000\n-3.954154 5.994303 0.000000\n0.000000 4.522071 8.874018\nW S N O\n2 4 4 4\ndirect\n0.418830 0.581170 0.750000 W\n0.581170 0.418830 0.250000 W\n0.249802 0.770175 0.562533 S\n0.229825 0.750198 0.937467 S\n0.750198 0.229825 0.437467 S\n0.770175 0.249802 0.062533 S\n0.131955 0.266958 0.662861 N\n0.733042 0.868045 0.837139 N\n0.868045 0.733042 0.337139 N\n0.266958 0.131955 0.162861 N\n0.680634 0.592008 0.683548 O\n0.407992 0.319366 0.816452 O\n0.319366 0.407992 0.316452 O\n0.592008 0.680634 0.183548 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"W",
"S",
"N",
"O"
],
"chemical_system": "N-O-S-W",
"density": 2.4314320536336638,
"density_atomic": 0.033280164426036735,
"volume": 420.6709985196798,
"volume_molar": 18.095285476680456,
"formula_full": "W2 S4 N4 O4",
"formula_reduced": "WS2(NO)2",
"formula_anonymous": "AB2C2D2",
"energy": -79.90830211,
"energy_per_atom": -5.707735864999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.27230211,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0008508,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:33.577000Z",
"spacegroup": 15
},
{
"id": "mp-1105010",
"created_at": "2022-09-04T14:40:55.946916Z",
"structure_string": "Gd4 Co3 B6\n1.0\n-2.656643 -4.601441 0.000000\n-5.313286 0.000000 0.000000\n-2.656643 -1.533814 -7.465339\nGd Co B\n4 3 6\ndirect\n0.744646 0.744646 0.766063 Gd\n0.255354 0.255354 0.233937 Gd\n0.588535 0.588535 0.234395 Gd\n0.411465 0.411465 0.765605 Gd\n0.000000 0.000000 0.000000 Co\n0.886569 0.886569 0.340292 Co\n0.113431 0.113431 0.659708 Co\n0.500000 0.167549 0.500000 B\n0.832451 0.500000 0.500000 B\n0.167549 0.832451 0.500000 B\n0.167549 0.500000 0.500000 B\n0.832451 0.167549 0.500000 B\n0.500000 0.832451 0.500000 B\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Gd",
"Co",
"B"
],
"chemical_system": "B-Co-Gd",
"density": 7.921253111926,
"density_atomic": 0.07122570674218043,
"volume": 182.5183714505889,
"volume_molar": 8.455010185857013,
"formula_full": "Gd4 Co3 B6",
"formula_reduced": "Gd4(CoB2)3",
"formula_anonymous": "A3B4C6",
"energy": -122.60622985999998,
"energy_per_atom": -9.43124845076923,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -122.60622985999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.6339981,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:58.650000Z",
"spacegroup": 166
},
{
"id": "mp-1105008",
"created_at": "2022-09-04T14:45:15.882148Z",
"structure_string": "Tm1 Mo6 Se8\n1.0\n4.806112 -4.754842 0.000000\n4.806112 4.754842 0.000000\n0.101992 0.000000 6.759943\nTm Mo Se\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Tm\n0.767125 0.577266 0.441446 Mo\n0.441446 0.767125 0.577266 Mo\n0.577266 0.441446 0.767125 Mo\n0.232875 0.422734 0.558554 Mo\n0.558554 0.232875 0.422734 Mo\n0.422734 0.558554 0.232875 Mo\n0.764875 0.764875 0.764875 Se\n0.235125 0.235125 0.235125 Se\n0.243126 0.631637 0.877829 Se\n0.877829 0.243126 0.631637 Se\n0.631637 0.877829 0.243126 Se\n0.756874 0.368363 0.122171 Se\n0.122171 0.756874 0.368363 Se\n0.368363 0.122171 0.756874 Se\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Tm",
"Mo",
"Se"
],
"chemical_system": "Mo-Se-Tm",
"density": 7.396814899009225,
"density_atomic": 0.04854989019022774,
"volume": 308.9605340244259,
"volume_molar": 12.40402550119908,
"formula_full": "Tm1 Mo6 Se8",
"formula_reduced": "Tm(Mo3Se4)2",
"formula_anonymous": "AB6C8",
"energy": -111.58153611,
"energy_per_atom": -7.4387690740000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -107.80553611,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2077677,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:57.559000Z",
"spacegroup": 148
},
{
"id": "mp-1105006",
"created_at": "2022-09-04T14:44:17.571398Z",
"structure_string": "Dy3 Ga8 Ag3\n1.0\n4.431596 0.000000 0.000000\n2.215798 4.724955 6.467346\n2.215798 -4.724955 6.467346\nDy Ga Ag\n3 8 3\ndirect\n0.500000 0.500000 0.500000 Dy\n0.796684 0.203316 0.203316 Dy\n0.203316 0.796684 0.796684 Dy\n0.643495 0.075046 0.637964 Ga\n0.356505 0.924954 0.362036 Ga\n0.643495 0.637964 0.075046 Ga\n0.356505 0.362036 0.924954 Ga\n0.841739 0.790954 0.525568 Ga\n0.158261 0.209046 0.474432 Ga\n0.841739 0.525568 0.790954 Ga\n0.158261 0.474432 0.209046 Ga\n0.500000 0.000000 0.000000 Ag\n0.000000 0.809632 0.190368 Ag\n0.000000 0.190368 0.809632 Ag\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Dy",
"Ga",
"Ag"
],
"chemical_system": "Ag-Dy-Ga",
"density": 8.392730429924883,
"density_atomic": 0.05169090139116723,
"volume": 270.8407016170214,
"volume_molar": 11.650291633391873,
"formula_full": "Dy3 Ga8 Ag3",
"formula_reduced": "Dy3Ga8Ag3",
"formula_anonymous": "A3B3C8",
"energy": -52.88693924,
"energy_per_atom": -3.777638517142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.88693924,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0365425,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:40.419000Z",
"spacegroup": 71
},
{
"id": "mp-1105005",
"created_at": "2022-09-04T14:44:55.368182Z",
"structure_string": "Ni6 Se8 Cl4 O20\n1.0\n7.153115 0.000216 -2.212872\n3.576540 -7.026519 -1.105801\n0.096204 0.001065 -11.691676\nNi Se Cl O\n6 8 4 20\ndirect\n0.499809 0.999995 0.500125 Ni\n0.372044 0.255904 0.749955 Ni\n0.627942 0.744279 0.749965 Ni\n0.500032 0.999997 0.999994 Ni\n0.371983 0.256298 0.249882 Ni\n0.628282 0.743680 0.250009 Ni\n0.995490 0.322780 0.111721 Se\n0.995381 0.322898 0.611713 Se\n0.318477 0.677042 0.111687 Se\n0.318424 0.676943 0.611658 Se\n0.004563 0.677191 0.388293 Se\n0.004592 0.677065 0.888309 Se\n0.681568 0.322944 0.388341 Se\n0.681531 0.323082 0.888361 Se\n0.301122 0.000014 0.373669 Cl\n0.301133 0.000037 0.873643 Cl\n0.699253 0.999964 0.126371 Cl\n0.699301 0.999967 0.626382 Cl\n0.888826 0.221922 0.249979 O\n0.888894 0.221957 0.750020 O\n0.110883 0.778069 0.249970 O\n0.111003 0.778048 0.749984 O\n0.909129 0.553221 0.143994 O\n0.909055 0.553319 0.644006 O\n0.462524 0.446654 0.143931 O\n0.462596 0.446604 0.643911 O\n0.090871 0.446796 0.355852 O\n0.091029 0.446726 0.855816 O\n0.537495 0.553276 0.355934 O\n0.537525 0.553361 0.855911 O\n0.252089 0.218709 0.118876 O\n0.252021 0.218745 0.618897 O\n0.470925 0.781188 0.118872 O\n0.470804 0.781221 0.618850 O\n0.747711 0.781328 0.381306 O\n0.747752 0.781304 0.881230 O\n0.528938 0.218724 0.381317 O\n0.529001 0.218750 0.881268 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Ni",
"Se",
"Cl",
"O"
],
"chemical_system": "Cl-Ni-O-Se",
"density": 4.095410275948235,
"density_atomic": 0.06482934567191698,
"volume": 586.1543041373158,
"volume_molar": 9.28922033314412,
"formula_full": "Ni6 Se8 Cl4 O20",
"formula_reduced": "Ni3Se4(ClO5)2",
"formula_anonymous": "A2B3C4D10",
"energy": -215.87466188,
"energy_per_atom": -5.680912154736842,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -184.43266188,
"band_gap": 3.1114000000000006,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:43.751000Z",
"spacegroup": 12
},
{
"id": "mp-1105001",
"created_at": "2022-09-04T14:40:06.680731Z",
"structure_string": "Tm6 Pt8\n1.0\n4.234150 -6.557264 0.000000\n4.234150 6.557264 0.000000\n-5.920829 0.000000 5.086209\nTm Pt\n6 8\ndirect\n0.403480 0.026312 0.281311 Tm\n0.026312 0.281311 0.403480 Tm\n0.281311 0.403480 0.026312 Tm\n0.596520 0.973688 0.718689 Tm\n0.973688 0.718689 0.596520 Tm\n0.718689 0.596520 0.973688 Tm\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.500000 Pt\n0.224628 0.060839 0.551848 Pt\n0.060839 0.551848 0.224628 Pt\n0.551848 0.224628 0.060839 Pt\n0.775372 0.939161 0.448152 Pt\n0.939161 0.448152 0.775372 Pt\n0.448152 0.775372 0.939161 Pt\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Tm",
"Pt"
],
"chemical_system": "Pt-Tm",
"density": 15.135309692383215,
"density_atomic": 0.04956954466641696,
"volume": 282.431482762538,
"volume_molar": 12.14887245893941,
"formula_full": "Tm6 Pt8",
"formula_reduced": "Tm3Pt4",
"formula_anonymous": "A3B4",
"energy": -93.17953616,
"energy_per_atom": -6.655681154285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -93.17953616,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002877,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:47.702000Z",
"spacegroup": 148
}
]
}