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=is_magnetic&page=92",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=90",
"results": [
{
"id": "mp-1078443",
"created_at": "2022-09-04T14:46:16.001973Z",
"structure_string": "As4 Se6\n1.0\n1.889600 7.082662 0.000000\n-1.889600 7.082662 0.000000\n0.000000 0.784759 9.593093\nAs Se\n4 6\ndirect\n0.204937 0.204937 0.861196 As\n0.795063 0.795063 0.138804 As\n0.620258 0.620258 0.565261 As\n0.379742 0.379742 0.434739 As\n0.040255 0.040255 0.709421 Se\n0.959745 0.959745 0.290579 Se\n0.773723 0.773723 0.665079 Se\n0.226277 0.226277 0.334921 Se\n0.365600 0.365600 0.969333 Se\n0.634400 0.634400 0.030667 Se\n",
"nsites": 10,
"nelements": 2,
"elements": [
"As",
"Se"
],
"chemical_system": "As-Se",
"density": 5.001776391564579,
"density_atomic": 0.038944394195197095,
"volume": 256.77636555027664,
"volume_molar": 15.463434171849807,
"formula_full": "As4 Se6",
"formula_reduced": "As2Se3",
"formula_anonymous": "A2B3",
"energy": -43.62616479,
"energy_per_atom": -4.362616479,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.79416479000001,
"band_gap": 0.6002999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006326,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:25.121000Z",
"spacegroup": 12
},
{
"id": "mp-560398",
"created_at": "2022-09-04T14:46:16.009354Z",
"structure_string": "K4 Zn2 Ge4 O12\n1.0\n3.255374 -4.952996 0.000000\n3.255374 4.952996 0.000000\n0.000000 0.000000 11.065029\nK Zn Ge O\n4 2 4 12\ndirect\n0.783711 0.430338 0.926992 K\n0.569662 0.216289 0.573008 K\n0.216289 0.569662 0.426992 K\n0.430338 0.783711 0.073008 K\n0.691194 0.308806 0.250000 Zn\n0.308806 0.691194 0.750000 Zn\n0.825847 0.862028 0.362251 Ge\n0.137972 0.174153 0.137749 Ge\n0.174153 0.137972 0.862251 Ge\n0.862028 0.825847 0.637749 Ge\n0.607370 0.984340 0.332338 O\n0.541350 0.704746 0.619814 O\n0.704746 0.541350 0.380186 O\n0.392630 0.015660 0.832338 O\n0.997004 0.997004 0.500000 O\n0.458650 0.295254 0.119814 O\n0.062135 0.937865 0.250000 O\n0.295254 0.458650 0.880186 O\n0.002996 0.002996 0.000000 O\n0.937865 0.062135 0.750000 O\n0.015660 0.392630 0.167662 O\n0.984340 0.607370 0.667662 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"K",
"Zn",
"Ge",
"O"
],
"chemical_system": "Ge-K-O-Zn",
"density": 3.582244906587079,
"density_atomic": 0.0616554200479292,
"volume": 356.82183306670873,
"volume_molar": 9.767415022586103,
"formula_full": "K4 Zn2 Ge4 O12",
"formula_reduced": "K2Zn(GeO3)2",
"formula_anonymous": "AB2C2D6",
"energy": -131.42549327,
"energy_per_atom": -5.973886057727273,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -123.18149327,
"band_gap": 2.8725,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0008008,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:28.158000Z",
"spacegroup": 20
},
{
"id": "mp-1220890",
"created_at": "2022-09-04T14:46:16.012077Z",
"structure_string": "Nd14 Au51\n1.0\n6.499202 -11.256947 0.000000\n6.499202 11.256947 0.000000\n0.000000 0.000000 9.446441\nNd Au\n14 51\ndirect\n0.192517 0.990462 0.500000 Nd\n0.009538 0.202055 0.500000 Nd\n0.797945 0.807483 0.500000 Nd\n0.475788 0.342399 0.500000 Nd\n0.657601 0.133389 0.500000 Nd\n0.866611 0.524212 0.500000 Nd\n0.949587 0.397327 0.000000 Nd\n0.602673 0.552261 0.000000 Nd\n0.447739 0.050413 0.000000 Nd\n0.734151 0.949353 0.000000 Nd\n0.050647 0.784799 0.000000 Nd\n0.215201 0.265849 0.000000 Nd\n0.333333 0.666667 0.297041 Nd\n0.333333 0.666667 0.702959 Nd\n0.000000 0.000000 0.000000 Au\n0.666667 0.333333 0.000000 Au\n0.892441 0.330988 0.334915 Au\n0.669012 0.561453 0.334915 Au\n0.438547 0.107559 0.334915 Au\n0.776293 0.004652 0.336388 Au\n0.995348 0.771640 0.336388 Au\n0.228360 0.223707 0.336388 Au\n0.776293 0.004652 0.663612 Au\n0.995348 0.771640 0.663612 Au\n0.228360 0.223707 0.663612 Au\n0.892441 0.330988 0.665085 Au\n0.669012 0.561453 0.665085 Au\n0.438547 0.107559 0.665085 Au\n0.218210 0.044633 0.152682 Au\n0.955367 0.173577 0.152682 Au\n0.826423 0.781790 0.152682 Au\n0.449775 0.285720 0.150453 Au\n0.714280 0.164055 0.150453 Au\n0.835945 0.550225 0.150453 Au\n0.449775 0.285720 0.849547 Au\n0.714280 0.164055 0.849547 Au\n0.835945 0.550225 0.849547 Au\n0.218210 0.044633 0.847318 Au\n0.955367 0.173577 0.847318 Au\n0.826423 0.781790 0.847318 Au\n0.062199 0.591170 0.236618 Au\n0.408830 0.471029 0.236618 Au\n0.528971 0.937801 0.236618 Au\n0.599101 0.739011 0.229297 Au\n0.260989 0.860091 0.229297 Au\n0.139909 0.400899 0.229297 Au\n0.599101 0.739011 0.770703 Au\n0.260989 0.860091 0.770703 Au\n0.139909 0.400899 0.770703 Au\n0.062199 0.591170 0.763382 Au\n0.408830 0.471029 0.763382 Au\n0.528971 0.937801 0.763382 Au\n0.000000 0.000000 0.305994 Au\n0.666667 0.333333 0.305876 Au\n0.666667 0.333333 0.694124 Au\n0.000000 0.000000 0.694006 Au\n0.095385 0.489023 0.500000 Au\n0.510977 0.606361 0.500000 Au\n0.393639 0.904615 0.500000 Au\n0.573015 0.845042 0.500000 Au\n0.154958 0.727973 0.500000 Au\n0.272027 0.426985 0.500000 Au\n0.220749 0.692320 0.000000 Au\n0.307680 0.528429 0.000000 Au\n0.471571 0.779251 0.000000 Au\n",
"nsites": 65,
"nelements": 2,
"elements": [
"Nd",
"Au"
],
"chemical_system": "Au-Nd",
"density": 14.49392950332645,
"density_atomic": 0.04702561542040881,
"volume": 1382.225398198413,
"volume_molar": 12.806086015381373,
"formula_full": "Nd14 Au51",
"formula_reduced": "Nd14Au51",
"formula_anonymous": "A14B51",
"energy": -274.96966399,
"energy_per_atom": -4.230302522923077,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -274.96966399,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1159207,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.988000Z",
"spacegroup": 174
},
{
"id": "mp-20859",
"created_at": "2022-09-04T14:46:16.014125Z",
"structure_string": "Dy2 Cu2 Sb4\n1.0\n4.320478 0.000000 0.000000\n0.000000 4.320478 0.000000\n0.000000 0.000000 9.808480\nDy Cu Sb\n2 2 4\ndirect\n0.500000 0.000000 0.250906 Dy\n0.000000 0.500000 0.749094 Dy\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.838453 Sb\n0.000000 0.500000 0.161547 Sb\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Dy",
"Cu",
"Sb"
],
"chemical_system": "Cu-Dy-Sb",
"density": 8.51746640891635,
"density_atomic": 0.04369428932315531,
"volume": 183.0902876308023,
"volume_molar": 13.782443548769729,
"formula_full": "Dy2 Cu2 Sb4",
"formula_reduced": "DyCuSb2",
"formula_anonymous": "ABC2",
"energy": -39.54912543,
"energy_per_atom": -4.94364067875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.78112543,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002673,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:24.730000Z",
"spacegroup": 129
},
{
"id": "mp-554089",
"created_at": "2022-09-04T14:46:16.000896Z",
"structure_string": "Si4 O8\n1.0\n5.066477 0.000000 0.000000\n0.000000 5.083702 0.000000\n0.000000 0.000000 7.041767\nSi O\n4 8\ndirect\n0.999565 0.045355 0.624823 Si\n0.499565 0.454645 0.124823 Si\n0.499565 0.954645 0.375177 Si\n0.999565 0.545355 0.875177 Si\n0.447510 0.656060 0.300785 O\n0.947510 0.343940 0.699215 O\n0.447510 0.156060 0.199215 O\n0.302935 0.515782 0.947950 O\n0.802935 0.984218 0.447950 O\n0.947510 0.843940 0.800785 O\n0.302935 0.015782 0.552050 O\n0.802935 0.484218 0.052050 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.200403279013789,
"density_atomic": 0.0661627327583041,
"volume": 181.37098483880078,
"volume_molar": 9.102013337325701,
"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy": -100.46005076,
"energy_per_atom": -8.371670896666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.96405076,
"band_gap": 5.660399999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.701000Z",
"spacegroup": 33
},
{
"id": "mp-755056",
"created_at": "2022-09-04T14:46:16.004811Z",
"structure_string": "Ca1 Pb1 I4\n1.0\n5.328938 -5.374994 0.000000\n5.328938 5.374994 0.000000\n0.000000 0.000000 4.769191\nCa Pb I\n1 1 4\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Pb\n0.795898 0.204102 0.500000 I\n0.307236 0.307236 0.000000 I\n0.692764 0.692764 0.000000 I\n0.204102 0.795898 0.500000 I\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Pb",
"I"
],
"chemical_system": "Ca-I-Pb",
"density": 4.588204747866585,
"density_atomic": 0.021961292068703436,
"volume": 273.20796887677074,
"volume_molar": 27.42161408882688,
"formula_full": "Ca1 Pb1 I4",
"formula_reduced": "CaPbI4",
"formula_anonymous": "ABC4",
"energy": -19.95933717,
"energy_per_atom": -3.326556195,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.44333717,
"band_gap": 2.6306000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015177,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.423000Z",
"spacegroup": 65
},
{
"id": "mp-1183568",
"created_at": "2022-09-04T14:46:16.142313Z",
"structure_string": "Ca1 Tm1 Zn2\n1.0\n0.000000 3.582302 3.582302\n3.582302 0.000000 3.582302\n3.582302 3.582302 0.000000\nCa Tm Zn\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Tm\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Tm",
"Zn"
],
"chemical_system": "Ca-Tm-Zn",
"density": 6.137542311055485,
"density_atomic": 0.04350542434753498,
"volume": 91.94255796809945,
"volume_molar": 13.84227564795886,
"formula_full": "Ca1 Tm1 Zn2",
"formula_reduced": "CaTmZn2",
"formula_anonymous": "ABC2",
"energy": -10.15746065,
"energy_per_atom": -2.5393651625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.15746065,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0045407,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.149000Z",
"spacegroup": 225
},
{
"id": "mp-1227022",
"created_at": "2022-09-04T14:46:16.151927Z",
"structure_string": "Ca1 Zn3 O4\n1.0\n-1.710969 -2.963276 -0.000115\n1.702180 -2.958413 -5.436503\n5.107493 -2.948603 -0.005038\nCa Zn O\n1 3 4\ndirect\n0.748707 0.502584 0.418036 Ca\n0.248226 0.503692 0.911955 Zn\n0.997983 0.004034 0.334658 Zn\n0.505460 0.988891 0.834504 Zn\n0.953457 0.092949 0.624945 O\n0.441568 0.116890 0.106000 O\n0.179939 0.640192 0.535314 O\n0.690659 0.618768 0.000588 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"O"
],
"chemical_system": "Ca-O-Zn",
"density": 4.54753627978619,
"density_atomic": 0.0729554884907241,
"volume": 109.65590342140135,
"volume_molar": 8.254541069608056,
"formula_full": "Ca1 Zn3 O4",
"formula_reduced": "CaZn3O4",
"formula_anonymous": "AB3C4",
"energy": -42.34469077,
"energy_per_atom": -5.29308634625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.59669077,
"band_gap": 1.3153,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001102,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.403000Z",
"spacegroup": 8
},
{
"id": "mp-867232",
"created_at": "2022-09-04T14:46:16.171839Z",
"structure_string": "Tb2 Al6\n1.0\n3.149411 -5.454941 0.000000\n3.149411 5.454941 0.000000\n0.000000 0.000000 4.622914\nTb Al\n2 6\ndirect\n0.333333 0.666667 0.750000 Tb\n0.666667 0.333333 0.250000 Tb\n0.707541 0.853771 0.250000 Al\n0.146229 0.853771 0.250000 Al\n0.853771 0.707541 0.750000 Al\n0.292459 0.146229 0.750000 Al\n0.853771 0.146229 0.750000 Al\n0.146229 0.292459 0.250000 Al\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tb",
"Al"
],
"chemical_system": "Al-Tb",
"density": 5.015217342851413,
"density_atomic": 0.05036452928210935,
"volume": 158.84194916603312,
"volume_molar": 11.9571072058827,
"formula_full": "Tb2 Al6",
"formula_reduced": "TbAl3",
"formula_anonymous": "AB3",
"energy": -35.22641272,
"energy_per_atom": -4.40330159,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.22641272,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001166,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.794000Z",
"spacegroup": 194
},
{
"id": "mp-1191694",
"created_at": "2022-09-04T14:46:16.180583Z",
"structure_string": "Sr8 Li4 Ge12\n1.0\n4.636081 0.000000 0.000000\n0.000000 11.182360 0.000000\n0.000000 0.000000 11.913170\nSr Li Ge\n8 4 12\ndirect\n0.500000 0.549765 0.849046 Sr\n0.500000 0.450235 0.150954 Sr\n0.000000 0.049765 0.650954 Sr\n0.000000 0.950235 0.349046 Sr\n0.500000 0.821402 0.072912 Sr\n0.500000 0.178598 0.927088 Sr\n0.000000 0.321402 0.427088 Sr\n0.000000 0.678598 0.572912 Sr\n0.500000 0.139233 0.215159 Li\n0.500000 0.860767 0.784841 Li\n0.000000 0.639233 0.284841 Li\n0.000000 0.360767 0.715159 Li\n0.500000 0.532323 0.399466 Ge\n0.500000 0.467677 0.600534 Ge\n0.000000 0.032323 0.100534 Ge\n0.000000 0.967677 0.899466 Ge\n0.500000 0.754207 0.363204 Ge\n0.500000 0.245793 0.636796 Ge\n0.000000 0.254207 0.136796 Ge\n0.000000 0.745793 0.863204 Ge\n0.500000 0.110095 0.457742 Ge\n0.500000 0.889905 0.542258 Ge\n0.000000 0.610095 0.042258 Ge\n0.000000 0.389905 0.957742 Ge\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sr",
"Li",
"Ge"
],
"chemical_system": "Ge-Li-Sr",
"density": 4.302955964432972,
"density_atomic": 0.03885969769261045,
"volume": 617.6064515438533,
"volume_molar": 15.497137439505016,
"formula_full": "Sr8 Li4 Ge12",
"formula_reduced": "Sr2LiGe3",
"formula_anonymous": "AB2C3",
"energy": -90.03548037,
"energy_per_atom": -3.75147834875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.03548037,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010959,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:30.667000Z",
"spacegroup": 58
},
{
"id": "mp-971891",
"created_at": "2022-09-04T14:46:16.038046Z",
"structure_string": "Zn2 Pd1 Au1\n1.0\n0.000000 3.132168 3.132168\n3.132168 0.000000 3.132168\n3.132168 3.132168 0.000000\nZn Pd Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Pd",
"Au"
],
"chemical_system": "Au-Pd-Zn",
"density": 11.732169968251187,
"density_atomic": 0.06508708939308233,
"volume": 61.4561203657869,
"volume_molar": 9.252435185156786,
"formula_full": "Zn2 Pd1 Au1",
"formula_reduced": "Zn2PdAu",
"formula_anonymous": "ABC2",
"energy": -12.52575514,
"energy_per_atom": -3.131438785,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.52575514,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003731,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.722000Z",
"spacegroup": 225
},
{
"id": "mp-1190448",
"created_at": "2022-09-04T14:46:16.058798Z",
"structure_string": "Na4 S2 O10\n1.0\n6.243328 0.000000 0.000000\n-3.121664 5.230848 0.000000\n0.000000 0.000000 7.785727\nNa S O\n4 2 10\ndirect\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.654900 0.309800 0.750000 Na\n0.345100 0.690200 0.250000 Na\n0.217473 0.434947 0.750000 S\n0.782527 0.565053 0.250000 S\n0.925288 0.850575 0.250000 O\n0.074712 0.149425 0.750000 O\n0.970973 0.391611 0.944103 O\n0.579362 0.608389 0.055897 O\n0.970973 0.391611 0.555897 O\n0.579362 0.608389 0.444103 O\n0.029027 0.608389 0.055897 O\n0.420638 0.391611 0.944103 O\n0.029027 0.608389 0.444103 O\n0.420638 0.391611 0.555897 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"S",
"O"
],
"chemical_system": "Na-O-S",
"density": 2.064252972434003,
"density_atomic": 0.06292635256178529,
"volume": 254.26549209713264,
"volume_molar": 9.570141148872501,
"formula_full": "Na4 S2 O10",
"formula_reduced": "Na2SO5",
"formula_anonymous": "AB2C5",
"energy": -76.30362354,
"energy_per_atom": -4.76897647125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.69362354,
"band_gap": 1.5858,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001059,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.390000Z",
"spacegroup": 63
}
]
}