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=17",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=15",
"results": [
{
"id": "mp-1219374",
"created_at": "2022-09-04T14:39:05.651342Z",
"structure_string": "Si2 H14 N4 F10\n1.0\n6.312371 0.086512 0.000000\n0.086062 6.310963 0.000000\n0.000000 0.000000 7.259414\nSi H N F\n2 14 4 10\ndirect\n0.747867 0.751356 0.271898 Si\n0.247867 0.251356 0.728102 Si\n0.876149 0.219402 0.915085 H\n0.614048 0.273627 0.920234 H\n0.224632 0.617150 0.918628 H\n0.270831 0.877592 0.917227 H\n0.114048 0.773627 0.079766 H\n0.376149 0.719402 0.084915 H\n0.770831 0.377592 0.082773 H\n0.724632 0.117150 0.081372 H\n0.610098 0.639250 0.574567 H\n0.868378 0.666277 0.589106 H\n0.706314 0.879051 0.592872 H\n0.110098 0.139250 0.425433 H\n0.206314 0.379051 0.407128 H\n0.368378 0.166277 0.410894 H\n0.747181 0.248045 0.000048 N\n0.247181 0.748045 0.999952 N\n0.732157 0.732947 0.533710 N\n0.232157 0.232947 0.466290 N\n0.762230 0.768714 0.037647 F\n0.262230 0.268714 0.962353 F\n0.945410 0.932409 0.292511 F\n0.549569 0.571135 0.253963 F\n0.934269 0.547911 0.270708 F\n0.560868 0.955135 0.276059 F\n0.049569 0.071135 0.746037 F\n0.445410 0.432409 0.707489 F\n0.060868 0.455135 0.723941 F\n0.434269 0.047911 0.729292 F\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Si",
"H",
"N",
"F"
],
"chemical_system": "F-H-N-Si",
"density": 1.816477939108046,
"density_atomic": 0.10375587936381159,
"volume": 289.140241342926,
"volume_molar": 5.804144109158241,
"formula_full": "Si2 H14 N4 F10",
"formula_reduced": "SiH7N2F5",
"formula_anonymous": "AB2C5D7",
"energy": -163.89672177,
"energy_per_atom": -5.463224059,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -157.83272177,
"band_gap": 7.1042000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001251,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.279000Z",
"spacegroup": 7
},
{
"id": "mp-13452",
"created_at": "2022-09-04T14:39:05.913938Z",
"structure_string": "Be1 Pd2\n1.0\n-1.386777 1.386777 4.964592\n1.386777 -1.386777 4.964592\n1.386777 1.386777 -4.964592\nBe Pd\n1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.356659 0.356659 0.000000 Pd\n0.643341 0.643341 0.000000 Pd\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Be",
"Pd"
],
"chemical_system": "Be-Pd",
"density": 9.646193892946638,
"density_atomic": 0.07855330101056018,
"volume": 38.190629310367235,
"volume_molar": 7.666311514000442,
"formula_full": "Be1 Pd2",
"formula_reduced": "BePd2",
"formula_anonymous": "AB2",
"energy": -15.61751254,
"energy_per_atom": -5.205837513333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.61751254,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000174,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:43.560000Z",
"spacegroup": 139
},
{
"id": "mp-1195564",
"created_at": "2022-09-04T14:39:05.633488Z",
"structure_string": "Sm4 Tl8 P8 S28\n1.0\n3.395668 11.545349 0.000000\n-3.395668 11.545349 0.000000\n0.000000 9.829134 16.234768\nSm Tl P S\n4 8 8 28\ndirect\n0.883268 0.807112 0.235176 Sm\n0.192888 0.116732 0.264824 Sm\n0.116732 0.192888 0.764824 Sm\n0.807112 0.883268 0.735176 Sm\n0.818874 0.816432 0.026067 Tl\n0.183568 0.181126 0.473933 Tl\n0.181126 0.183568 0.973933 Tl\n0.816432 0.818874 0.526067 Tl\n0.535648 0.486473 0.119300 Tl\n0.513527 0.464352 0.380700 Tl\n0.464352 0.513527 0.880700 Tl\n0.486473 0.535648 0.619300 Tl\n0.330980 0.335268 0.137457 P\n0.664732 0.669020 0.362543 P\n0.669020 0.664732 0.862543 P\n0.335268 0.330980 0.637457 P\n0.973735 0.929575 0.310732 P\n0.070425 0.026265 0.189268 P\n0.026265 0.070425 0.689268 P\n0.929575 0.973735 0.810732 P\n0.000914 0.962364 0.393468 S\n0.037636 0.999086 0.106532 S\n0.999086 0.037636 0.606532 S\n0.962364 0.000914 0.893468 S\n0.163346 0.633557 0.084460 S\n0.366443 0.836654 0.415540 S\n0.836654 0.366443 0.915540 S\n0.633557 0.163346 0.584460 S\n0.169445 0.631459 0.312729 S\n0.368541 0.830555 0.187271 S\n0.830555 0.368541 0.687271 S\n0.631459 0.169445 0.812729 S\n0.220901 0.338390 0.262656 S\n0.661610 0.779099 0.237344 S\n0.779099 0.661610 0.737344 S\n0.338390 0.220901 0.762656 S\n0.747803 0.720810 0.401500 S\n0.279190 0.252197 0.098500 S\n0.252197 0.279190 0.598500 S\n0.720810 0.747803 0.901500 S\n0.855356 0.360757 0.395147 S\n0.639243 0.144644 0.104853 S\n0.144644 0.639243 0.604853 S\n0.360757 0.855356 0.895147 S\n0.882611 0.319707 0.189156 S\n0.680293 0.117389 0.310844 S\n0.117389 0.680293 0.810844 S\n0.319707 0.882611 0.689156 S\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Sm",
"Tl",
"P",
"S"
],
"chemical_system": "P-S-Sm-Tl",
"density": 4.411936875982058,
"density_atomic": 0.03770794520934382,
"volume": 1272.9412789139692,
"volume_molar": 15.970482418404881,
"formula_full": "Sm4 Tl8 P8 S28",
"formula_reduced": "SmTl2P2S7",
"formula_anonymous": "AB2C2D7",
"energy": -247.13679174,
"energy_per_atom": -5.14868316125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -233.05279174000003,
"band_gap": 2.1344,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003387,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:44.879000Z",
"spacegroup": 15
},
{
"id": "mp-1102133",
"created_at": "2022-09-04T14:39:05.199125Z",
"structure_string": "Tm8 Pt4\n1.0\n4.723161 0.000000 0.000000\n0.000000 7.068775 0.000000\n0.000000 0.000000 8.659220\nTm Pt\n8 4\ndirect\n0.250000 0.855337 0.922695 Tm\n0.250000 0.355337 0.577305 Tm\n0.750000 0.144663 0.077305 Tm\n0.750000 0.644663 0.422695 Tm\n0.250000 0.987624 0.330792 Tm\n0.250000 0.487624 0.169208 Tm\n0.750000 0.012376 0.669208 Tm\n0.750000 0.512376 0.830792 Tm\n0.250000 0.258718 0.904643 Pt\n0.250000 0.758718 0.595357 Pt\n0.750000 0.741282 0.095357 Pt\n0.750000 0.241282 0.404643 Pt\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Tm",
"Pt"
],
"chemical_system": "Pt-Tm",
"density": 12.24452227717114,
"density_atomic": 0.041507403259879755,
"volume": 289.1050525340612,
"volume_molar": 14.508594339894263,
"formula_full": "Tm8 Pt4",
"formula_reduced": "Tm2Pt",
"formula_anonymous": "AB2",
"energy": -71.99240087,
"energy_per_atom": -5.999366739166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.99240087,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.020909,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:24.006000Z",
"spacegroup": 62
},
{
"id": "mp-29825",
"created_at": "2022-09-04T14:39:05.382463Z",
"structure_string": "K12 Si12 O30\n1.0\n5.710772 8.337630 0.000000\n-5.710772 8.337630 0.000000\n0.000000 4.463709 9.061214\nK Si O\n12 12 30\ndirect\n0.615235 0.099185 0.929918 K\n0.099185 0.615235 0.429918 K\n0.286227 0.834609 0.623912 K\n0.834609 0.286227 0.123912 K\n0.231052 0.202634 0.021207 K\n0.202634 0.231052 0.521207 K\n0.435129 0.961246 0.783306 K\n0.961246 0.435129 0.283306 K\n0.637935 0.683730 0.966439 K\n0.683730 0.637935 0.466439 K\n0.675997 0.144106 0.520560 K\n0.144106 0.675997 0.020560 K\n0.514000 0.486798 0.325960 Si\n0.845773 0.384894 0.736909 Si\n0.384894 0.845773 0.236909 Si\n0.993970 0.045261 0.874851 Si\n0.045261 0.993970 0.374851 Si\n0.874304 0.909824 0.221074 Si\n0.909824 0.874304 0.721074 Si\n0.026028 0.522072 0.824169 Si\n0.522072 0.026028 0.324169 Si\n0.396850 0.360736 0.167067 Si\n0.360736 0.396850 0.667067 Si\n0.486798 0.514000 0.825960 Si\n0.883556 0.474547 0.823748 O\n0.030280 0.481776 0.989792 O\n0.481776 0.030280 0.489792 O\n0.436080 0.176863 0.217180 O\n0.176863 0.436080 0.717180 O\n0.938414 0.923432 0.847093 O\n0.923432 0.938414 0.347093 O\n0.234116 0.439621 0.242749 O\n0.439621 0.234116 0.742749 O\n0.929762 0.415942 0.566901 O\n0.415942 0.929762 0.066901 O\n0.904718 0.738306 0.246360 O\n0.209479 0.872550 0.339163 O\n0.872550 0.209479 0.839163 O\n0.998755 0.965582 0.557748 O\n0.965582 0.998755 0.057748 O\n0.393653 0.432614 0.484613 O\n0.432614 0.393653 0.984613 O\n0.407285 0.521062 0.702600 O\n0.521062 0.407285 0.202600 O\n0.041365 0.159679 0.286207 O\n0.159679 0.041365 0.786207 O\n0.676928 0.444667 0.339169 O\n0.444667 0.676928 0.839169 O\n0.442080 0.664760 0.263280 O\n0.664760 0.442080 0.763280 O\n0.474547 0.883556 0.323748 O\n0.699470 0.007881 0.233357 O\n0.007881 0.699470 0.733357 O\n0.738306 0.904718 0.746360 O\n",
"nsites": 54,
"nelements": 3,
"elements": [
"K",
"Si",
"O"
],
"chemical_system": "K-O-Si",
"density": 2.475138997234225,
"density_atomic": 0.06258063086141434,
"volume": 862.8867951105149,
"volume_molar": 9.623010629816298,
"formula_full": "K12 Si12 O30",
"formula_reduced": "K2Si2O5",
"formula_anonymous": "A2B2C5",
"energy": -383.75660736,
"energy_per_atom": -7.106603839999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -363.14660736,
"band_gap": 4.4044,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:44.255000Z",
"spacegroup": 9
},
{
"id": "mp-982734",
"created_at": "2022-09-04T14:39:06.125238Z",
"structure_string": "W2 N4\n1.0\n4.850497 0.000000 0.000000\n0.000000 4.850497 0.000000\n0.000000 0.000000 2.964512\nW N\n2 4\ndirect\n0.500000 0.500000 0.000000 W\n0.000000 0.000000 0.500000 W\n0.802671 0.802671 0.000000 N\n0.197329 0.197329 0.000000 N\n0.697329 0.302671 0.500000 N\n0.302671 0.697329 0.500000 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"W",
"N"
],
"chemical_system": "N-W",
"density": 10.087622883218065,
"density_atomic": 0.08602517347967484,
"volume": 69.74702586816194,
"volume_molar": 7.000440122823875,
"formula_full": "W2 N4",
"formula_reduced": "WN2",
"formula_anonymous": "AB2",
"energy": -61.14343991,
"energy_per_atom": -10.190573318333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -59.69943991000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001505,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.285000Z",
"spacegroup": 136
},
{
"id": "mp-8560",
"created_at": "2022-09-04T14:39:05.649044Z",
"structure_string": "S1 F6\n1.0\n-2.994852 2.994852 2.994852\n2.994852 -2.994852 2.994852\n2.994852 2.994852 -2.994852\nS F\n1 6\ndirect\n0.000000 0.000000 0.000000 S\n0.733370 0.000000 0.733370 F\n0.266630 0.000000 0.266630 F\n0.000000 0.266630 0.266630 F\n0.000000 0.733370 0.733370 F\n0.266630 0.266630 0.000000 F\n0.733370 0.733370 0.000000 F\n",
"nsites": 7,
"nelements": 2,
"elements": [
"S",
"F"
],
"chemical_system": "F-S",
"density": 2.2572553237937902,
"density_atomic": 0.06514962990904377,
"volume": 107.44496952281676,
"volume_molar": 9.24355329171875,
"formula_full": "S1 F6",
"formula_reduced": "SF6",
"formula_anonymous": "AB6",
"energy": -30.34303356,
"energy_per_atom": -4.33471908,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.57103356,
"band_gap": 5.8139,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 4.89e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.846000Z",
"spacegroup": 229
},
{
"id": "mp-1222443",
"created_at": "2022-09-04T14:39:05.650058Z",
"structure_string": "Li4 Zn1 Cd3\n1.0\n7.753251 -2.340572 0.000000\n7.753251 2.340572 0.000000\n7.046673 0.000000 3.991939\nLi Zn Cd\n4 1 3\ndirect\n0.125039 0.125039 0.125039 Li\n0.624680 0.624680 0.624680 Li\n0.002139 0.002139 0.002139 Li\n0.497618 0.497618 0.497618 Li\n0.375611 0.375611 0.375611 Zn\n0.874305 0.874305 0.874305 Cd\n0.746291 0.746291 0.746291 Cd\n0.254317 0.254317 0.254317 Cd\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Zn",
"Cd"
],
"chemical_system": "Cd-Li-Zn",
"density": 4.932960901374358,
"density_atomic": 0.05521667434360852,
"volume": 144.8837709822345,
"volume_molar": 10.906380783682746,
"formula_full": "Li4 Zn1 Cd3",
"formula_reduced": "Li4ZnCd3",
"formula_anonymous": "AB3C4",
"energy": -13.53499366,
"energy_per_atom": -1.6918742075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.53499366,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003582,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.362000Z",
"spacegroup": 160
},
{
"id": "mp-16371",
"created_at": "2022-09-04T14:39:05.885372Z",
"structure_string": "Th2 Ge4\n1.0\n2.035486 -8.298651 0.000000\n2.035486 8.298651 0.000000\n0.000000 0.000000 4.200411\nTh Ge\n2 4\ndirect\n0.861235 0.138765 0.000000 Th\n0.138765 0.861235 0.000000 Th\n0.700705 0.299295 0.500000 Ge\n0.299295 0.700705 0.500000 Ge\n0.500000 0.500000 0.000000 Ge\n0.000000 0.000000 0.500000 Ge\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Th",
"Ge"
],
"chemical_system": "Ge-Th",
"density": 8.830581086616784,
"density_atomic": 0.04228183695838271,
"volume": 141.90490365652036,
"volume_molar": 14.242855072563405,
"formula_full": "Th2 Ge4",
"formula_reduced": "ThGe2",
"formula_anonymous": "AB2",
"energy": -37.14845751,
"energy_per_atom": -6.191409585,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.14845751,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.63e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:25.046000Z",
"spacegroup": 65
},
{
"id": "mp-1247450",
"created_at": "2022-09-04T14:39:05.662315Z",
"structure_string": "Sr2 Cd1 N2\n1.0\n3.673095 -1.054275 -0.720773\n-2.749576 4.762406 0.000000\n-0.731381 -0.422263 7.374173\nSr Cd N\n2 1 2\ndirect\n0.670141 0.335071 0.170287 Sr\n0.329859 0.664929 0.829713 Sr\n0.000000 0.000000 0.500000 Cd\n0.302064 0.151032 0.801620 N\n0.697936 0.848968 0.198380 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Cd",
"N"
],
"chemical_system": "Cd-N-Sr",
"density": 5.027026807280698,
"density_atomic": 0.04795197533868187,
"volume": 104.27099122998179,
"volume_molar": 12.558691727433516,
"formula_full": "Sr2 Cd1 N2",
"formula_reduced": "Sr2CdN2",
"formula_anonymous": "AB2C2",
"energy": -23.63080396,
"energy_per_atom": -4.726160792,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.90880396,
"band_gap": 0.5562999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001414,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.293000Z",
"spacegroup": 139
},
{
"id": "mp-545482",
"created_at": "2022-09-04T14:39:05.215074Z",
"structure_string": "Pd2 Se2 O6\n1.0\n6.565476 0.000000 0.000000\n0.000000 4.030541 0.000000\n0.000000 0.644800 6.228874\nPd Se O\n2 2 6\ndirect\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.500000 Pd\n0.750000 0.053974 0.177984 Se\n0.250000 0.946026 0.822016 Se\n0.040954 0.200955 0.781585 O\n0.750000 0.219813 0.442620 O\n0.959046 0.799045 0.218415 O\n0.540954 0.799045 0.218415 O\n0.250000 0.780187 0.557380 O\n0.459046 0.200955 0.781585 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Pd",
"Se",
"O"
],
"chemical_system": "O-Pd-Se",
"density": 4.7021910628342845,
"density_atomic": 0.06066816967177719,
"volume": 164.83108117652668,
"volume_molar": 9.926359724680301,
"formula_full": "Pd2 Se2 O6",
"formula_reduced": "PdSeO3",
"formula_anonymous": "ABC3",
"energy": -57.36829246,
"energy_per_atom": -5.736829246,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.24629246,
"band_gap": 1.0589,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.16e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:38.097000Z",
"spacegroup": 11
},
{
"id": "mp-1183463",
"created_at": "2022-09-04T14:39:06.103448Z",
"structure_string": "Ca2 Zn1 Ga1\n1.0\n0.000000 3.675013 3.675013\n3.675013 0.000000 3.675013\n3.675013 3.675013 0.000000\nCa Zn Ga\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"Ga"
],
"chemical_system": "Ca-Ga-Zn",
"density": 3.6013247519425797,
"density_atomic": 0.04029520379429434,
"volume": 99.26739719247644,
"volume_molar": 14.945055969298048,
"formula_full": "Ca2 Zn1 Ga1",
"formula_reduced": "Ca2ZnGa",
"formula_anonymous": "ABC2",
"energy": -9.73280082,
"energy_per_atom": -2.433200205,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.73280082,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007313,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.680000Z",
"spacegroup": 225
}
]
}