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=-nsites&page=10256",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=10254",
"results": [
{
"id": "mp-863657",
"created_at": "2022-09-04T14:40:07.919486Z",
"structure_string": "Pm2 Cl4\n1.0\n7.101638 0.000000 0.000000\n0.000000 7.101638 0.000000\n0.000000 0.000000 3.572073\nPm Cl\n2 4\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Pm\n0.280514 0.280514 0.000000 Cl\n0.719486 0.719486 0.000000 Cl\n0.219486 0.780514 0.500000 Cl\n0.780514 0.219486 0.500000 Cl\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pm",
"Cl"
],
"chemical_system": "Cl-Pm",
"density": 3.9802139496367746,
"density_atomic": 0.03330533936237741,
"volume": 180.15129450317983,
"volume_molar": 18.08160755990605,
"formula_full": "Pm2 Cl4",
"formula_reduced": "PmCl2",
"formula_anonymous": "AB2",
"energy": -30.98521889,
"energy_per_atom": -5.164203148333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.529218890000003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030099,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.301000Z",
"spacegroup": 136
},
{
"id": "mp-754317",
"created_at": "2022-09-04T14:39:49.797937Z",
"structure_string": "Nd2 O4\n1.0\n3.790397 0.000000 0.000000\n0.000000 5.277331 0.000000\n0.000000 0.000000 5.444522\nNd O\n2 4\ndirect\n0.000000 0.500000 0.000000 Nd\n0.500000 0.000000 0.500000 Nd\n0.000000 0.820369 0.297119 O\n0.000000 0.179631 0.702881 O\n0.500000 0.320369 0.202881 O\n0.500000 0.679631 0.797119 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Nd",
"O"
],
"chemical_system": "Nd-O",
"density": 5.374360041436059,
"density_atomic": 0.05509249732575901,
"volume": 108.90775134992191,
"volume_molar": 10.930963474738498,
"formula_full": "Nd2 O4",
"formula_reduced": "NdO2",
"formula_anonymous": "AB2",
"energy": -46.44207444,
"energy_per_atom": -7.7403457399999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.69407444,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0002584,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.950000Z",
"spacegroup": 58
},
{
"id": "mp-1219830",
"created_at": "2022-09-04T14:39:48.298516Z",
"structure_string": "Pr3 Mg1 Al2\n1.0\n3.741220 0.000000 0.000000\n0.000000 3.741220 0.000000\n0.000000 0.000000 11.846624\nPr Mg Al\n3 1 2\ndirect\n0.500000 0.500000 0.178720 Pr\n0.500000 0.500000 0.500000 Pr\n0.500000 0.500000 0.821280 Pr\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.333442 Al\n0.000000 0.000000 0.666558 Al\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pr",
"Mg",
"Al"
],
"chemical_system": "Al-Mg-Pr",
"density": 5.017159938734535,
"density_atomic": 0.03618513115390224,
"volume": 165.8139630468896,
"volume_molar": 16.64258375736346,
"formula_full": "Pr3 Mg1 Al2",
"formula_reduced": "Pr3MgAl2",
"formula_anonymous": "AB2C3",
"energy": -25.00954406,
"energy_per_atom": -4.168257343333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.00954406,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0029486,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.410000Z",
"spacegroup": 123
},
{
"id": "mp-603",
"created_at": "2022-09-04T14:40:04.358592Z",
"structure_string": "Be4 Ag2\n1.0\n0.000000 3.209907 3.209907\n3.209907 0.000000 3.209907\n3.209907 3.209907 0.000000\nBe Ag\n4 2\ndirect\n0.125000 0.125000 0.625000 Be\n0.125000 0.625000 0.125000 Be\n0.125000 0.125000 0.125000 Be\n0.625000 0.125000 0.125000 Be\n0.750000 0.750000 0.750000 Ag\n0.500000 0.500000 0.500000 Ag\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Be",
"Ag"
],
"chemical_system": "Ag-Be",
"density": 6.320796766408729,
"density_atomic": 0.09070764780631659,
"volume": 66.14657247877813,
"volume_molar": 6.639066170979067,
"formula_full": "Be4 Ag2",
"formula_reduced": "Be2Ag",
"formula_anonymous": "AB2",
"energy": -20.46520319,
"energy_per_atom": -3.4108671983333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.46520319,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001712,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:50.692000Z",
"spacegroup": 227
},
{
"id": "mp-1222618",
"created_at": "2022-09-04T14:40:08.114317Z",
"structure_string": "Li2 Zn1 Cd1 P2\n1.0\n6.992237 -2.103849 0.000000\n6.992237 2.103849 0.000000\n6.359224 0.000000 3.588570\nLi Zn Cd P\n2 1 1 2\ndirect\n0.126246 0.126246 0.126246 Li\n0.624417 0.624417 0.624417 Li\n0.875339 0.875339 0.875339 Zn\n0.375426 0.375426 0.375426 Cd\n0.994854 0.994854 0.994854 P\n0.503717 0.503717 0.503717 P\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Li",
"Zn",
"Cd",
"P"
],
"chemical_system": "Cd-Li-P-Zn",
"density": 3.9893397581550976,
"density_atomic": 0.05682888386901132,
"volume": 105.58011334218352,
"volume_molar": 10.59697173338972,
"formula_full": "Li2 Zn1 Cd1 P2",
"formula_reduced": "Li2ZnCdP2",
"formula_anonymous": "ABC2D2",
"energy": -19.76298664,
"energy_per_atom": -3.293831106666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.76298664,
"band_gap": 1.0652,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0006006,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.851000Z",
"spacegroup": 160
},
{
"id": "mp-2062",
"created_at": "2022-09-04T14:39:27.874712Z",
"structure_string": "La2 Si4\n1.0\n-2.174033 2.174033 6.903487\n2.174033 -2.174033 6.903487\n2.174033 2.174033 -6.903487\nLa Si\n2 4\ndirect\n0.750000 0.250000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.166710 0.666710 0.500000 Si\n0.583290 0.583290 0.000000 Si\n0.333290 0.833290 0.500000 Si\n0.416710 0.416710 0.000000 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"La",
"Si"
],
"chemical_system": "La-Si",
"density": 4.963902180282632,
"density_atomic": 0.045971691499538725,
"volume": 130.51510188743444,
"volume_molar": 13.099671914531196,
"formula_full": "La2 Si4",
"formula_reduced": "LaSi2",
"formula_anonymous": "AB2",
"energy": -35.26239764,
"energy_per_atom": -5.877066273333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.54639764,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.004208,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:34.903000Z",
"spacegroup": 141
},
{
"id": "mp-1222896",
"created_at": "2022-09-04T14:39:28.942424Z",
"structure_string": "La1 Ni3 Rh2\n1.0\n2.662863 -4.377590 0.000000\n2.662863 4.377590 0.000000\n0.000000 0.000000 4.048843\nLa Ni Rh\n1 3 2\ndirect\n0.500000 0.500000 0.000000 La\n0.156726 0.843274 0.000000 Ni\n0.843274 0.156726 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Rh\n0.500000 0.000000 0.500000 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Ni",
"Rh"
],
"chemical_system": "La-Ni-Rh",
"density": 9.161623849889553,
"density_atomic": 0.06356329632438831,
"volume": 94.39409764685044,
"volume_molar": 9.474242382375301,
"formula_full": "La1 Ni3 Rh2",
"formula_reduced": "LaNi3Rh2",
"formula_anonymous": "AB2C3",
"energy": -39.06939012,
"energy_per_atom": -6.51156502,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.06939012,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1139026,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.805000Z",
"spacegroup": 65
},
{
"id": "mp-569426",
"created_at": "2022-09-04T14:39:29.464743Z",
"structure_string": "Sr2 Zn4\n1.0\n-2.390177 3.900406 3.920878\n2.390177 -3.900406 3.920878\n2.390177 3.900406 -3.920878\nSr Zn\n2 4\ndirect\n0.298900 0.048900 0.250000 Sr\n0.701100 0.951100 0.750000 Sr\n0.728144 0.664980 0.063164 Zn\n0.271856 0.335020 0.936836 Zn\n0.101816 0.664980 0.436836 Zn\n0.898184 0.335020 0.563164 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"Zn"
],
"chemical_system": "Sr-Zn",
"density": 4.961626691887471,
"density_atomic": 0.04103628628825376,
"volume": 146.2120611464162,
"volume_molar": 14.675160217224091,
"formula_full": "Sr2 Zn4",
"formula_reduced": "SrZn2",
"formula_anonymous": "AB2",
"energy": -9.85012617,
"energy_per_atom": -1.641687695,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.85012617,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.55e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:35.348000Z",
"spacegroup": 74
},
{
"id": "mp-1215210",
"created_at": "2022-09-04T14:39:29.184549Z",
"structure_string": "Zr1 Si1 W4\n1.0\n0.000000 3.771221 3.771221\n3.771221 0.000000 3.771221\n3.771221 3.771221 0.000000\nZr Si W\n1 1 4\ndirect\n0.750000 0.750000 0.750000 Zr\n0.000000 0.000000 0.000000 Si\n0.374391 0.374391 0.374391 W\n0.374391 0.876826 0.374391 W\n0.876826 0.374391 0.374391 W\n0.374391 0.374391 0.876826 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Si",
"W"
],
"chemical_system": "Si-W-Zr",
"density": 13.230350722290876,
"density_atomic": 0.05593392607177674,
"volume": 107.26942343186407,
"volume_molar": 10.766526119178796,
"formula_full": "Zr1 Si1 W4",
"formula_reduced": "ZrSiW4",
"formula_anonymous": "ABC4",
"energy": -64.00951847,
"energy_per_atom": -10.668253078333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.00951847,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.12e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.342000Z",
"spacegroup": 216
},
{
"id": "mp-1215491",
"created_at": "2022-09-04T14:39:28.694756Z",
"structure_string": "Zr2 Al3 Cr1\n1.0\n4.523990 -2.647108 0.000000\n4.523990 2.647108 0.000000\n2.975095 0.000000 4.315377\nZr Al Cr\n2 3 1\ndirect\n0.628924 0.628924 0.628924 Zr\n0.371076 0.371076 0.371076 Zr\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Cr\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Al",
"Cr"
],
"chemical_system": "Al-Cr-Zr",
"density": 5.067026938677642,
"density_atomic": 0.05805093449695402,
"volume": 103.35750926309076,
"volume_molar": 10.373891156422275,
"formula_full": "Zr2 Al3 Cr1",
"formula_reduced": "Zr2Al3Cr",
"formula_anonymous": "AB2C3",
"energy": -40.19927029,
"energy_per_atom": -6.699878381666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.19927029,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8155833,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.817000Z",
"spacegroup": 166
},
{
"id": "mp-567712",
"created_at": "2022-09-04T14:39:28.682619Z",
"structure_string": "Pr2 Co2 Ge2\n1.0\n4.160116 0.000000 0.000000\n0.000000 4.160116 0.000000\n0.000000 0.000000 6.980916\nPr Co Ge\n2 2 2\ndirect\n0.500000 0.000000 0.311780 Pr\n0.000000 0.500000 0.688220 Pr\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.181100 Ge\n0.500000 0.000000 0.818900 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pr",
"Co",
"Ge"
],
"chemical_system": "Co-Ge-Pr",
"density": 7.490171765629763,
"density_atomic": 0.04966242897344377,
"volume": 120.81567744518514,
"volume_molar": 12.126150259827702,
"formula_full": "Pr2 Co2 Ge2",
"formula_reduced": "PrCoGe",
"formula_anonymous": "ABC",
"energy": -36.58485976,
"energy_per_atom": -6.0974766266666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.58485976,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7000921,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:38.734000Z",
"spacegroup": 129
},
{
"id": "mp-1246319",
"created_at": "2022-09-04T14:39:30.103012Z",
"structure_string": "K2 Cu2 N2\n1.0\n8.266794 2.289923 1.677284\n-1.404193 4.315832 0.999312\n-2.808385 6.570495 4.812646\nK Cu N\n2 2 2\ndirect\n0.465634 0.041816 0.968972 K\n0.965634 0.958184 0.010789 K\n0.215627 0.967720 0.732258 Cu\n0.715627 0.032280 0.699978 Cu\n0.215740 0.967034 0.234484 N\n0.715740 0.032966 0.201518 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Cu",
"N"
],
"chemical_system": "Cu-K-N",
"density": 2.9498868795414657,
"density_atomic": 0.04568662254283705,
"volume": 131.32947164947973,
"volume_molar": 13.181409403493271,
"formula_full": "K2 Cu2 N2",
"formula_reduced": "KCuN",
"formula_anonymous": "ABC",
"energy": -26.24691855,
"energy_per_atom": -4.374486425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.52491855,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0311885,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.073000Z",
"spacegroup": 9
}
]
}