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=energy_per_atom&page=108",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=106",
"results": [
{
"id": "mp-685079",
"created_at": "2022-09-04T14:43:12.630435Z",
"structure_string": "Nb32 N27\n1.0\n2.708046 0.000000 1.563491\n0.902682 2.553170 1.563491\n-0.272346 -0.192578 100.535146\nNb N\n32 27\ndirect\n0.504468 0.504468 0.015206 Nb\n0.500098 0.500098 0.046866 Nb\n0.499927 0.499927 0.078132 Nb\n0.495184 0.495184 0.109827 Nb\n0.498868 0.498868 0.140731 Nb\n0.500463 0.500463 0.171832 Nb\n0.499323 0.499323 0.203188 Nb\n0.500677 0.500677 0.234312 Nb\n0.499537 0.499537 0.265668 Nb\n0.501132 0.501132 0.296769 Nb\n0.504816 0.504816 0.327673 Nb\n0.500073 0.500073 0.359368 Nb\n0.499902 0.499902 0.390634 Nb\n0.495532 0.495532 0.422294 Nb\n0.501373 0.501373 0.452996 Nb\n0.503583 0.503583 0.484039 Nb\n0.502571 0.502571 0.515384 Nb\n0.498621 0.498621 0.547004 Nb\n0.499922 0.499922 0.578132 Nb\n0.500883 0.500883 0.609292 Nb\n0.499439 0.499439 0.640678 Nb\n0.499952 0.499952 0.671879 Nb\n0.500173 0.500173 0.703109 Nb\n0.499827 0.499827 0.734391 Nb\n0.500048 0.500048 0.765621 Nb\n0.500561 0.500561 0.796822 Nb\n0.499117 0.499117 0.828208 Nb\n0.500078 0.500078 0.859368 Nb\n0.501379 0.501379 0.890496 Nb\n0.497429 0.497429 0.922116 Nb\n0.496416 0.496416 0.953461 Nb\n0.498627 0.498627 0.984504 Nb\n0.005984 0.005984 0.030689 N\n0.999937 0.999937 0.062506 N\n0.993629 0.993629 0.094347 N\n0.002755 0.002755 0.155992 N\n0.996729 0.996729 0.187807 N\n0.003271 0.003271 0.249693 N\n0.997245 0.997245 0.281508 N\n0.006371 0.006371 0.343153 N\n0.000063 0.000063 0.374994 N\n0.994016 0.994016 0.406811 N\n0.005982 0.005982 0.468189 N\n0.004362 0.004362 0.499591 N\n0.999715 0.999715 0.531277 N\n0.999396 0.999396 0.562557 N\n0.000178 0.000178 0.593733 N\n0.000109 0.000109 0.624990 N\n0.999520 0.999520 0.656295 N\n0.000163 0.000163 0.687485 N\n0.999837 0.999837 0.750015 N\n0.000000 0.000000 0.718750 N\n0.000480 0.000480 0.781205 N\n0.999891 0.999891 0.812510 N\n0.999822 0.999822 0.843767 N\n0.000604 0.000604 0.874943 N\n0.000285 0.000285 0.906223 N\n0.995638 0.995638 0.937909 N\n0.994018 0.994018 0.969311 N\n",
"nsites": 59,
"nelements": 2,
"elements": [
"Nb",
"N"
],
"chemical_system": "N-Nb",
"density": 7.9868614426568705,
"density_atomic": 0.0846799617637398,
"volume": 696.7409853657251,
"volume_molar": 7.111647944294063,
"formula_full": "Nb32 N27",
"formula_reduced": "Nb32N27",
"formula_anonymous": "A27B32",
"energy": -606.08155786,
"energy_per_atom": -10.272568777288136,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -596.33455786,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1713632,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.592000Z",
"spacegroup": 166
},
{
"id": "mp-7927",
"created_at": "2022-09-04T14:40:32.320418Z",
"structure_string": "Nb4 N5\n1.0\n-3.468122 3.468122 2.161214\n3.468122 -3.468122 2.161214\n3.468122 3.468122 -2.161214\nNb N\n4 5\ndirect\n0.215699 0.395096 0.610794 Nb\n0.395096 0.784301 0.179397 Nb\n0.604904 0.215699 0.820603 Nb\n0.784301 0.604904 0.389206 Nb\n0.500000 0.500000 0.000000 N\n0.306111 0.092284 0.398395 N\n0.092284 0.693889 0.786172 N\n0.907716 0.306111 0.213828 N\n0.693889 0.907716 0.601605 N\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Nb",
"N"
],
"chemical_system": "N-Nb",
"density": 7.053256949796648,
"density_atomic": 0.08655576776066325,
"volume": 103.97920592520241,
"volume_molar": 6.957526824384389,
"formula_full": "Nb4 N5",
"formula_reduced": "Nb4N5",
"formula_anonymous": "A4B5",
"energy": -92.4524472,
"energy_per_atom": -10.272494133333332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.64744720000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002063,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:05.958000Z",
"spacegroup": 87
},
{
"id": "mp-623108",
"created_at": "2022-09-04T14:47:13.696878Z",
"structure_string": "Eu8 Ir2\n1.0\n-4.580697 4.580697 4.221317\n4.580697 -4.580697 4.221317\n4.580697 4.580697 -4.221317\nEu Ir\n8 2\ndirect\n0.820121 0.014654 0.194533 Eu\n0.429879 0.124411 0.694533 Eu\n0.875589 0.570121 0.305467 Eu\n0.820121 0.625589 0.805467 Eu\n0.374411 0.179879 0.194533 Eu\n0.429879 0.735346 0.305467 Eu\n0.264654 0.570121 0.694533 Eu\n0.985346 0.179879 0.805467 Eu\n0.500000 0.500000 0.000000 Ir\n0.750000 0.250000 0.500000 Ir\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Eu",
"Ir"
],
"chemical_system": "Eu-Ir",
"density": 7.499591684085741,
"density_atomic": 0.028224672485946505,
"volume": 354.2999482094665,
"volume_molar": 21.33644159378117,
"formula_full": "Eu8 Ir2",
"formula_reduced": "Eu4Ir",
"formula_anonymous": "AB4",
"energy": -102.71853498,
"energy_per_atom": -10.271853498,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -102.71853498,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 57.5418769,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:01.118000Z",
"spacegroup": 141
},
{
"id": "mp-1212973",
"created_at": "2022-09-04T14:48:13.463912Z",
"structure_string": "Eu3 Ti2 O7\n1.0\n-1.963089 1.963089 10.137355\n1.963089 -1.963089 10.137355\n1.963089 1.963089 -10.137355\nEu Ti O\n3 2 7\ndirect\n0.315704 0.315704 0.000000 Eu\n0.684296 0.684296 0.000000 Eu\n0.500000 0.500000 0.000000 Eu\n0.097862 0.097862 0.000000 Ti\n0.902138 0.902138 0.000000 Ti\n0.596485 0.096485 0.500000 O\n0.403515 0.903515 0.500000 O\n0.096485 0.596485 0.500000 O\n0.903515 0.403515 0.500000 O\n0.197219 0.197219 0.000000 O\n0.802781 0.802781 0.000000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Eu",
"Ti",
"O"
],
"chemical_system": "Eu-O-Ti",
"density": 7.051883288438189,
"density_atomic": 0.07679211346114723,
"volume": 156.26604685221184,
"volume_molar": 7.842134417939789,
"formula_full": "Eu3 Ti2 O7",
"formula_reduced": "Eu3Ti2O7",
"formula_anonymous": "A2B3C7",
"energy": -123.26166806999998,
"energy_per_atom": -10.2718056725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -118.45266807000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.8831474,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:33.183000Z",
"spacegroup": 139
},
{
"id": "mp-981365",
"created_at": "2022-09-04T14:41:27.838271Z",
"structure_string": "V2 Re1 Ru1\n1.0\n0.000000 3.026137 3.026137\n3.026137 0.000000 3.026137\n3.026137 3.026137 0.000000\nV Re Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 V\n0.750000 0.750000 0.750000 V\n0.500000 0.500000 0.500000 Re\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"Re",
"Ru"
],
"chemical_system": "Re-Ru-V",
"density": 11.659543301906437,
"density_atomic": 0.07217125191248915,
"volume": 55.423730280447096,
"volume_molar": 8.344237629828168,
"formula_full": "V2 Re1 Ru1",
"formula_reduced": "V2ReRu",
"formula_anonymous": "ABC2",
"energy": -41.07865385,
"energy_per_atom": -10.2696634625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.07865385,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0127292,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.081000Z",
"spacegroup": 225
},
{
"id": "mp-1246572",
"created_at": "2022-09-04T14:42:20.217697Z",
"structure_string": "Zr4 W4 N12\n1.0\n6.324066 -0.098508 0.844046\n-2.442111 7.456805 0.627015\n-1.022173 -1.253843 5.518451\nZr W N\n4 4 12\ndirect\n0.230832 0.467151 0.451182 Zr\n0.769168 0.532849 0.548818 Zr\n0.101833 0.841313 0.126314 Zr\n0.898167 0.158687 0.873686 Zr\n0.570204 0.676601 0.975491 W\n0.429796 0.323399 0.024509 W\n0.681808 0.084378 0.364892 W\n0.318192 0.915622 0.635108 W\n0.366323 0.034295 0.325611 N\n0.633677 0.965705 0.674389 N\n0.851329 0.703219 0.847746 N\n0.148671 0.296781 0.152254 N\n0.790506 0.933291 0.173347 N\n0.209494 0.066709 0.826653 N\n0.104456 0.690578 0.433479 N\n0.895544 0.309422 0.566521 N\n0.684199 0.253833 0.099853 N\n0.315801 0.746167 0.900147 N\n0.547227 0.561837 0.270421 N\n0.452773 0.438163 0.729579 N\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Zr",
"W",
"N"
],
"chemical_system": "N-W-Zr",
"density": 7.71584251985777,
"density_atomic": 0.0732706082591877,
"volume": 272.96074749716735,
"volume_molar": 8.219040216913797,
"formula_full": "Zr4 W4 N12",
"formula_reduced": "ZrWN3",
"formula_anonymous": "ABC3",
"energy": -205.38924868,
"energy_per_atom": -10.269462434000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -201.05724868,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009342,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.156000Z",
"spacegroup": 2
},
{
"id": "mp-1217365",
"created_at": "2022-09-04T14:39:26.521538Z",
"structure_string": "Th1 Zr2 U2 O10\n1.0\n15.389557 -1.900300 0.000000\n15.389557 1.900300 0.000000\n15.154908 0.000000 3.283041\nTh Zr U O\n1 2 2 10\ndirect\n0.996774 0.996774 0.996774 Th\n0.595955 0.595955 0.595955 Zr\n0.202122 0.202122 0.202122 Zr\n0.803201 0.803201 0.803201 U\n0.401857 0.401857 0.401857 U\n0.051234 0.051234 0.051234 O\n0.854173 0.854173 0.854173 O\n0.453042 0.453042 0.453042 O\n0.644449 0.644449 0.644449 O\n0.248435 0.248435 0.248435 O\n0.349009 0.349009 0.349009 O\n0.153898 0.153898 0.153898 O\n0.752311 0.752311 0.752311 O\n0.943785 0.943785 0.943785 O\n0.549754 0.549754 0.549754 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Th",
"Zr",
"U",
"O"
],
"chemical_system": "O-Th-U-Zr",
"density": 9.084608688758397,
"density_atomic": 0.0781154016437679,
"volume": 192.02359181874232,
"volume_molar": 7.709287327821671,
"formula_full": "Th1 Zr2 U2 O10",
"formula_reduced": "ThZr2U2O10",
"formula_anonymous": "AB2C2D10",
"energy": -154.03953669,
"energy_per_atom": -10.269302446000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -147.16953669,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.425000Z",
"spacegroup": 160
},
{
"id": "mp-776321",
"created_at": "2022-09-04T14:44:20.376428Z",
"structure_string": "W8 N16\n1.0\n9.743912 0.000000 0.000000\n0.000000 9.743912 0.000000\n0.000000 0.000000 3.041000\nW N\n8 16\ndirect\n0.497195 0.749566 0.169664 W\n0.249566 0.002805 0.669664 W\n0.750434 0.997195 0.669664 W\n0.502805 0.250434 0.169664 W\n0.002805 0.750434 0.330336 W\n0.250434 0.497195 0.830336 W\n0.749566 0.502805 0.830336 W\n0.997195 0.249566 0.330336 W\n0.352023 0.898478 0.287909 N\n0.601522 0.852023 0.787909 N\n0.398478 0.147977 0.787909 N\n0.647977 0.101522 0.287909 N\n0.849002 0.901039 0.250780 N\n0.349002 0.401039 0.249220 N\n0.098961 0.849002 0.749220 N\n0.598961 0.349002 0.750780 N\n0.401039 0.650998 0.750780 N\n0.901039 0.150998 0.749220 N\n0.150998 0.098961 0.250780 N\n0.650998 0.598961 0.249220 N\n0.852023 0.398478 0.212091 N\n0.101522 0.352023 0.712091 N\n0.898478 0.647977 0.712091 N\n0.147977 0.601522 0.212091 N\n",
"nsites": 24,
"nelements": 2,
"elements": [
"W",
"N"
],
"chemical_system": "N-W",
"density": 9.74745853672647,
"density_atomic": 0.08312432188586459,
"volume": 288.7241598548455,
"volume_molar": 7.244739714410919,
"formula_full": "W8 N16",
"formula_reduced": "WN2",
"formula_anonymous": "AB2",
"energy": -246.46315958,
"energy_per_atom": -10.269298315833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -240.68715958,
"band_gap": 0.6937999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.965000Z",
"spacegroup": 86
},
{
"id": "mp-291",
"created_at": "2022-09-04T14:47:03.822342Z",
"structure_string": "Ti1 Os1\n1.0\n3.095162 0.000000 0.000000\n0.000000 3.095162 0.000000\n0.000000 0.000000 3.095162\nTi Os\n1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Os\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"Os"
],
"chemical_system": "Os-Ti",
"density": 13.333767140704715,
"density_atomic": 0.06744967186494223,
"volume": 29.651738024829797,
"volume_molar": 8.928347008208473,
"formula_full": "Ti1 Os1",
"formula_reduced": "TiOs",
"formula_anonymous": "AB",
"energy": -20.53698073,
"energy_per_atom": -10.268490365,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.53698073,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017294,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:48.739000Z",
"spacegroup": 221
},
{
"id": "mp-755880",
"created_at": "2022-09-04T14:42:46.842744Z",
"structure_string": "W8 N16\n1.0\n5.364932 0.000000 0.000000\n0.000000 5.705397 0.000000\n0.000000 0.000000 9.434383\nW N\n8 16\ndirect\n0.166748 0.907909 0.126551 W\n0.666748 0.592091 0.126551 W\n0.166748 0.407909 0.373449 W\n0.666748 0.092091 0.373449 W\n0.333252 0.907909 0.626551 W\n0.833252 0.592091 0.626551 W\n0.333252 0.407909 0.873449 W\n0.833252 0.092091 0.873449 W\n0.794253 0.855928 0.007146 N\n0.294253 0.644072 0.007146 N\n0.463677 0.917351 0.229548 N\n0.963677 0.582649 0.229548 N\n0.463677 0.417351 0.270452 N\n0.963677 0.082649 0.270452 N\n0.294253 0.144072 0.492854 N\n0.794253 0.355928 0.492854 N\n0.705747 0.855928 0.507146 N\n0.205747 0.644072 0.507146 N\n0.036323 0.917351 0.729548 N\n0.536323 0.582649 0.729548 N\n0.036323 0.417351 0.770452 N\n0.536323 0.082649 0.770452 N\n0.705747 0.355928 0.992854 N\n0.205747 0.144072 0.992854 N\n",
"nsites": 24,
"nelements": 2,
"elements": [
"W",
"N"
],
"chemical_system": "N-W",
"density": 9.745652656349499,
"density_atomic": 0.08310892170937993,
"volume": 288.77766076576694,
"volume_molar": 7.246082172812407,
"formula_full": "W8 N16",
"formula_reduced": "WN2",
"formula_anonymous": "AB2",
"energy": -246.41158294,
"energy_per_atom": -10.267149289166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -240.63558294,
"band_gap": 0.1364999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010618,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.292000Z",
"spacegroup": 61
},
{
"id": "mp-1104757",
"created_at": "2022-09-04T14:48:01.447604Z",
"structure_string": "Gd5 Fe2 B6\n1.0\n-2.716250 -4.704683 0.000000\n-5.432500 0.000000 0.000000\n-2.716250 -1.568228 -7.756207\nGd Fe B\n5 2 6\ndirect\n0.000000 0.000000 0.000000 Gd\n0.748936 0.748936 0.753192 Gd\n0.251064 0.251064 0.246808 Gd\n0.583594 0.583594 0.249218 Gd\n0.416406 0.416406 0.750782 Gd\n0.882516 0.882516 0.352453 Fe\n0.117484 0.117484 0.647547 Fe\n0.500000 0.167543 0.500000 B\n0.832457 0.500000 0.500000 B\n0.167543 0.832457 0.500000 B\n0.167543 0.500000 0.500000 B\n0.832457 0.167543 0.500000 B\n0.500000 0.832457 0.500000 B\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Gd",
"Fe",
"B"
],
"chemical_system": "B-Fe-Gd",
"density": 8.065074681291325,
"density_atomic": 0.06557885958714714,
"volume": 198.2346152684223,
"volume_molar": 9.18305197423757,
"formula_full": "Gd5 Fe2 B6",
"formula_reduced": "Gd5(FeB3)2",
"formula_anonymous": "A2B5C6",
"energy": -133.46423257,
"energy_per_atom": -10.266479428461539,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -133.46423257,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 21.4930151,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:29.685000Z",
"spacegroup": 166
},
{
"id": "mp-1220459",
"created_at": "2022-09-04T14:41:36.045548Z",
"structure_string": "Nb4 W1 C5\n1.0\n12.976329 -1.580721 0.000000\n12.976329 1.580721 0.000000\n12.783772 0.000000 2.731109\nNb W C\n4 1 5\ndirect\n0.100564 0.100564 0.100564 Nb\n0.700243 0.700243 0.700243 Nb\n0.299757 0.299757 0.299757 Nb\n0.899436 0.899436 0.899436 Nb\n0.500000 0.500000 0.500000 W\n0.599375 0.599375 0.599375 C\n0.000000 0.000000 0.000000 C\n0.400625 0.400625 0.400625 C\n0.198317 0.198317 0.198317 C\n0.801683 0.801683 0.801683 C\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Nb",
"W",
"C"
],
"chemical_system": "C-Nb-W",
"density": 9.122512662938583,
"density_atomic": 0.08925322138718582,
"volume": 112.04077393038176,
"volume_molar": 6.747253114680974,
"formula_full": "Nb4 W1 C5",
"formula_reduced": "Nb4WC5",
"formula_anonymous": "AB4C5",
"energy": -102.65112705,
"energy_per_atom": -10.265112705,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -102.65112705,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003397,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.274000Z",
"spacegroup": 166
}
]
}