HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": null,
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-total_magnetization&page=12193",
"results": [
{
"id": "mp-555582",
"created_at": "2022-09-04T14:42:39.953799Z",
"structure_string": "C24 Se2 F20\n1.0\n7.630529 0.000000 0.000000\n0.000000 9.460973 0.000000\n0.000000 2.723767 9.244474\nC Se F\n24 2 20\ndirect\n0.336905 0.453012 0.701282 C\n0.306088 0.545302 0.788455 C\n0.635050 0.434260 0.169640 C\n0.450211 0.927938 0.886483 C\n0.200755 0.377696 0.655923 C\n0.570514 0.095024 0.617426 C\n0.682011 0.993479 0.709089 C\n0.530499 0.600222 0.300765 C\n0.806088 0.454698 0.211545 C\n0.122263 0.089209 0.155454 C\n0.622263 0.910791 0.844546 C\n0.182011 0.006521 0.290911 C\n0.700755 0.622304 0.344077 C\n0.898148 0.885216 0.342584 C\n0.839791 0.972574 0.208036 C\n0.398148 0.114784 0.657416 C\n0.996671 0.492679 0.785685 C\n0.030499 0.399778 0.699235 C\n0.339791 0.027426 0.791964 C\n0.836905 0.546988 0.298718 C\n0.135050 0.565740 0.830360 C\n0.496671 0.507321 0.214315 C\n0.070514 0.904976 0.382574 C\n0.950211 0.072062 0.113517 C\n0.244942 0.255427 0.529811 Se\n0.744942 0.744573 0.470189 Se\n0.672763 0.962051 0.165918 F\n0.847372 0.974340 0.667869 F\n0.003885 0.561415 0.339807 F\n0.603459 0.342850 0.088126 F\n0.831819 0.512589 0.826692 F\n0.890786 0.153163 0.983719 F\n0.940053 0.382725 0.169905 F\n0.103459 0.657150 0.911874 F\n0.347372 0.025660 0.332131 F\n0.893047 0.331903 0.657224 F\n0.390786 0.846837 0.016281 F\n0.172763 0.037949 0.834082 F\n0.229604 0.186886 0.066715 F\n0.440053 0.617275 0.830095 F\n0.503885 0.438585 0.660193 F\n0.393047 0.668097 0.342776 F\n0.634414 0.174108 0.487978 F\n0.134414 0.825892 0.512022 F\n0.729604 0.813114 0.933285 F\n0.331819 0.487411 0.173308 F\n",
"nsites": 46,
"nelements": 3,
"elements": [
"C",
"Se",
"F"
],
"chemical_system": "C-F-Se",
"density": 2.0555717906674458,
"density_atomic": 0.06892633333834727,
"volume": 667.3791825570363,
"volume_molar": 8.737068212287411,
"formula_full": "C24 Se2 F20",
"formula_reduced": "C12SeF10",
"formula_anonymous": "AB10C12",
"energy": -307.71077303000004,
"energy_per_atom": -6.689364631086957,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -297.52677303,
"band_gap": 2.7508,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.989000Z",
"spacegroup": 4
},
{
"id": "mp-23210",
"created_at": "2022-09-04T14:42:43.753390Z",
"structure_string": "Mg1 Cl2\n1.0\n6.659088 -1.837965 0.000000\n6.659088 1.837965 0.000000\n6.151793 0.000000 3.142770\nMg Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.263704 0.263704 0.263704 Cl\n0.736296 0.736296 0.736296 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Cl"
],
"chemical_system": "Cl-Mg",
"density": 2.0551410707305204,
"density_atomic": 0.03899659329449321,
"volume": 76.9297968503222,
"volume_molar": 15.442735509028168,
"formula_full": "Mg1 Cl2",
"formula_reduced": "MgCl2",
"formula_anonymous": "AB2",
"energy": -12.09373704,
"energy_per_atom": -4.0312456800000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.86573704,
"band_gap": 5.8407,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:49.804000Z",
"spacegroup": 166
},
{
"id": "mp-1522453",
"created_at": "2022-09-04T14:42:29.363283Z",
"structure_string": "Ba4 Sr4 Nd4 Nb4 O24\n1.0\n8.588809 0.000000 0.000000\n0.000000 8.612268 0.000000\n0.000000 0.000000 8.601079\nBa Sr Nd Nb O\n4 4 4 4 24\ndirect\n-0.000000 -0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n-0.000000 -0.000000 0.500000 Ba\n-0.000000 0.500000 0.500000 Sr\n0.500000 -0.000000 0.500000 Sr\n0.500000 -0.000000 0.000000 Sr\n-0.000000 0.500000 0.000000 Sr\n0.250000 0.250000 0.250000 Nd\n0.750000 0.750000 0.250000 Nd\n0.750000 0.250000 0.750000 Nd\n0.250000 0.750000 0.750000 Nd\n0.750000 0.750000 0.750000 Nb\n0.250000 0.250000 0.750000 Nb\n0.250000 0.750000 0.250000 Nb\n0.750000 0.250000 0.250000 Nb\n0.980788 0.216768 0.278803 O\n0.019212 0.783232 0.278803 O\n0.019212 0.216768 0.721197 O\n0.980788 0.783232 0.721197 O\n0.283205 0.980782 0.207903 O\n0.283205 0.019218 0.792097 O\n0.716795 0.019218 0.207903 O\n0.716795 0.980782 0.792097 O\n0.211459 0.287326 0.980756 O\n0.788540 0.287326 0.019244 O\n0.211459 0.712674 0.019244 O\n0.788540 0.712674 0.980756 O\n0.519212 0.283232 0.221197 O\n0.480788 0.716768 0.221197 O\n0.480788 0.283232 0.778803 O\n0.519212 0.716768 0.778803 O\n0.216795 0.519218 0.292097 O\n0.216795 0.480782 0.707903 O\n0.783205 0.480782 0.292097 O\n0.783205 0.519218 0.707903 O\n0.288540 0.212674 0.519244 O\n0.711460 0.212674 0.480756 O\n0.288540 0.787326 0.480756 O\n0.711460 0.787326 0.519244 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Nd",
"Nb",
"O"
],
"chemical_system": "Ba-Nb-Nd-O-Sr",
"density": 5.826547580071708,
"density_atomic": 0.06287189838946375,
"volume": 636.2142869015597,
"volume_molar": 9.578429973110543,
"formula_full": "Ba4 Sr4 Nd4 Nb4 O24",
"formula_reduced": "BaSrNdNbO6",
"formula_anonymous": "ABCDE6",
"energy": -327.06421512,
"energy_per_atom": -8.176605378,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -310.57621512,
"band_gap": 2.9744,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.901000Z",
"spacegroup": 48
},
{
"id": "mp-643394",
"created_at": "2022-09-04T14:42:43.546807Z",
"structure_string": "Na1 In1 H8 N2 F6\n1.0\n0.000000 4.383696 4.383696\n4.383696 0.000000 4.383696\n4.383696 4.383696 0.000000\nNa In H N F\n1 1 8 2 6\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 In\n0.182209 0.182209 0.453373 H\n0.182209 0.453373 0.182209 H\n0.453373 0.182209 0.182209 H\n0.182209 0.182209 0.182209 H\n0.817791 0.817791 0.546627 H\n0.817791 0.546627 0.817791 H\n0.546627 0.817791 0.817791 H\n0.817791 0.817791 0.817791 H\n0.250000 0.250000 0.250000 N\n0.750000 0.750000 0.750000 N\n0.258257 0.258257 0.741743 F\n0.741743 0.258257 0.741743 F\n0.258257 0.741743 0.741743 F\n0.741743 0.741743 0.258257 F\n0.258257 0.741743 0.258257 F\n0.741743 0.258257 0.258257 F\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Na",
"In",
"H",
"N",
"F"
],
"chemical_system": "F-H-In-N-Na",
"density": 2.8372782513560177,
"density_atomic": 0.10683688625228926,
"volume": 168.48113635111022,
"volume_molar": 5.636761769506325,
"formula_full": "Na1 In1 H8 N2 F6",
"formula_reduced": "NaInH8(NF3)2",
"formula_anonymous": "ABC2D6E8",
"energy": -89.21084662999999,
"energy_per_atom": -4.956158146111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.71684663,
"band_gap": 5.0081,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:56.548000Z",
"spacegroup": 225
},
{
"id": "mp-1213727",
"created_at": "2022-09-04T14:42:47.032177Z",
"structure_string": "Cs8 P12 Se24\n1.0\n10.848430 0.000000 0.000000\n0.000000 11.171133 0.000000\n0.000000 9.180337 12.628405\nCs P Se\n8 12 24\ndirect\n0.998967 0.755928 0.254028 Cs\n0.001033 0.244072 0.745972 Cs\n0.498967 0.244072 0.245972 Cs\n0.501033 0.755928 0.754028 Cs\n0.999596 0.345235 0.178416 Cs\n0.000404 0.654765 0.821584 Cs\n0.499596 0.654765 0.321584 Cs\n0.500404 0.345235 0.678416 Cs\n0.950846 0.995810 0.438118 P\n0.049154 0.004190 0.561882 P\n0.450846 0.004190 0.061882 P\n0.549154 0.995810 0.938118 P\n0.683197 0.852622 0.443077 P\n0.316803 0.147378 0.556923 P\n0.183197 0.147378 0.056923 P\n0.816803 0.852622 0.943077 P\n0.700852 0.639663 0.055639 P\n0.299148 0.360337 0.944361 P\n0.200852 0.360337 0.444361 P\n0.799148 0.639663 0.555639 P\n0.492685 0.798650 0.489401 Se\n0.507315 0.201350 0.510599 Se\n0.992685 0.201350 0.010599 Se\n0.007315 0.798650 0.989401 Se\n0.788034 0.501972 0.500713 Se\n0.211966 0.498028 0.499287 Se\n0.288034 0.498028 0.999287 Se\n0.711966 0.501972 0.000713 Se\n0.502870 0.747038 0.014149 Se\n0.497130 0.252962 0.985851 Se\n0.002870 0.252962 0.485851 Se\n0.997130 0.747038 0.514149 Se\n0.734761 0.958791 0.280259 Se\n0.265239 0.041209 0.719741 Se\n0.234761 0.041209 0.219741 Se\n0.765239 0.958791 0.780259 Se\n0.742856 0.984557 0.004586 Se\n0.257144 0.015443 0.995414 Se\n0.242856 0.015443 0.495414 Se\n0.757144 0.984557 0.504586 Se\n0.745030 0.533195 0.220404 Se\n0.254970 0.466805 0.779596 Se\n0.245030 0.466805 0.279596 Se\n0.754970 0.533195 0.720404 Se\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Cs",
"P",
"Se"
],
"chemical_system": "Cs-P-Se",
"density": 3.6130722120973195,
"density_atomic": 0.028750146466893944,
"volume": 1530.4269858474079,
"volume_molar": 20.946469844717317,
"formula_full": "Cs8 P12 Se24",
"formula_reduced": "Cs2(PSe2)3",
"formula_anonymous": "A2B3C6",
"energy": -189.77317017,
"energy_per_atom": -4.313026594772727,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -178.44517017,
"band_gap": 1.3135,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.190000Z",
"spacegroup": 14
},
{
"id": "mp-1518838",
"created_at": "2022-09-04T14:42:39.701315Z",
"structure_string": "Na1 Pr1 Hf2 O6\n1.0\n0.000000 -4.103034 -4.103034\n4.103034 0.000000 -4.103034\n4.103034 -4.103034 0.000000\nNa Pr Hf O\n1 1 2 6\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Pr\n0.250000 0.250000 0.250000 Hf\n0.750000 0.750000 0.750000 Hf\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Pr",
"Hf",
"O"
],
"chemical_system": "Hf-Na-O-Pr",
"density": 7.414811130741185,
"density_atomic": 0.07238601308398408,
"volume": 138.14823574269448,
"volume_molar": 8.319481213881694,
"formula_full": "Na1 Pr1 Hf2 O6",
"formula_reduced": "NaPrHf2O6",
"formula_anonymous": "ABC2D6",
"energy": -91.05558335,
"energy_per_atom": -9.105558335000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.93358335,
"band_gap": 2.8635,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.096000Z",
"spacegroup": 225
},
{
"id": "mp-1233302",
"created_at": "2022-09-04T14:42:42.498105Z",
"structure_string": "Rb2 Mg1 Nb2 Te2 O12\n1.0\n-5.198705 -0.257599 -5.403373\n4.941106 -4.941106 0.000000\n-5.927486 -5.927486 0.466703\nRb Mg Nb Te O\n2 1 2 2 12\ndirect\n0.776754 0.388377 0.355075 Rb\n0.149739 0.574869 0.760015 Rb\n0.455621 0.727810 0.285403 Mg\n0.525359 0.514660 0.928274 Nb\n0.525359 0.010699 0.928274 Nb\n0.137166 0.068583 0.498047 Te\n0.991122 0.995561 0.986201 Te\n0.774998 0.887498 0.249222 O\n0.539007 0.269504 0.009959 O\n0.190789 0.893080 0.988206 O\n0.326093 0.387632 0.385626 O\n0.190789 0.297709 0.988206 O\n0.326093 0.938461 0.385626 O\n0.206927 0.103464 0.698726 O\n0.392131 0.696065 0.070950 O\n0.804422 0.099558 0.957583 O\n0.682677 0.606071 0.677031 O\n0.804422 0.704864 0.957583 O\n0.682677 0.076606 0.677031 O\n",
"nsites": 19,
"nelements": 5,
"elements": [
"Rb",
"Mg",
"Nb",
"Te",
"O"
],
"chemical_system": "Mg-Nb-O-Rb-Te",
"density": 4.179155692454611,
"density_atomic": 0.057734262611693996,
"volume": 329.0940100471912,
"volume_molar": 10.430791851458105,
"formula_full": "Rb2 Mg1 Nb2 Te2 O12",
"formula_reduced": "Rb2MgNb2(TeO6)2",
"formula_anonymous": "AB2C2D2E12",
"energy": -133.14761748,
"energy_per_atom": -7.007769341052632,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -124.90361748,
"band_gap": 2.4995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.853000Z",
"spacegroup": 8
}
]
}