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_uncorrected&page=10238",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=10236",
"results": [
{
"id": "mp-865103",
"created_at": "2022-09-04T14:43:13.909436Z",
"structure_string": "Dy2 Ga6\n1.0\n3.134669 -5.429407 0.000000\n3.134669 5.429407 0.000000\n0.000000 0.000000 4.581081\nDy Ga\n2 6\ndirect\n0.333333 0.666667 0.750000 Dy\n0.666667 0.333333 0.250000 Dy\n0.148715 0.297429 0.250000 Ga\n0.702571 0.851285 0.250000 Ga\n0.148715 0.851285 0.250000 Ga\n0.851285 0.702571 0.750000 Ga\n0.297429 0.148715 0.750000 Ga\n0.851285 0.148715 0.750000 Ga\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Dy",
"Ga"
],
"chemical_system": "Dy-Ga",
"density": 7.9157738536470195,
"density_atomic": 0.05130361088760558,
"volume": 155.9344432407723,
"volume_molar": 11.738239581602018,
"formula_full": "Dy2 Ga6",
"formula_reduced": "DyGa3",
"formula_anonymous": "AB3",
"energy": -31.63168838,
"energy_per_atom": -3.9539610475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.63168838,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001652,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.899000Z",
"spacegroup": 194
},
{
"id": "mp-999287",
"created_at": "2022-09-04T14:41:09.288788Z",
"structure_string": "Pr1 Rh1 C2\n1.0\n2.368335 -3.326390 0.000000\n2.368335 3.326390 0.000000\n0.000000 0.000000 3.776005\nPr Rh C\n1 1 2\ndirect\n0.991590 0.008410 0.000000 Pr\n0.614437 0.385563 0.500000 Rh\n0.446953 0.837980 0.500000 C\n0.162020 0.553047 0.500000 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pr",
"Rh",
"C"
],
"chemical_system": "C-Pr-Rh",
"density": 7.4754413889586875,
"density_atomic": 0.06723279024755609,
"volume": 59.49477903968741,
"volume_molar": 8.95714834655238,
"formula_full": "Pr1 Rh1 C2",
"formula_reduced": "PrRhC2",
"formula_anonymous": "ABC2",
"energy": -31.63130364,
"energy_per_atom": -7.90782591,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.63130364,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.83e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:08.955000Z",
"spacegroup": 38
},
{
"id": "mp-1227417",
"created_at": "2022-09-04T14:48:23.818654Z",
"structure_string": "Ca4 Mg2 Ag6\n1.0\n3.006607 -5.207597 0.000000\n3.006607 5.207597 0.000000\n0.000000 0.000000 9.063194\nCa Mg Ag\n4 2 6\ndirect\n0.333333 0.666667 0.440742 Ca\n0.666667 0.333333 0.559258 Ca\n0.666667 0.333333 0.940742 Ca\n0.333333 0.666667 0.059258 Ca\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.831051 0.168949 0.250000 Ag\n0.831051 0.662103 0.250000 Ag\n0.337897 0.168949 0.250000 Ag\n0.168949 0.831051 0.750000 Ag\n0.168949 0.337897 0.750000 Ag\n0.662103 0.831051 0.750000 Ag\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Ag"
],
"chemical_system": "Ag-Ca-Mg",
"density": 5.009150929045491,
"density_atomic": 0.0422820408739521,
"volume": 283.80843857025394,
"volume_molar": 14.242786382882354,
"formula_full": "Ca4 Mg2 Ag6",
"formula_reduced": "Ca2MgAg3",
"formula_anonymous": "AB2C3",
"energy": -31.63127858,
"energy_per_atom": -2.635939881666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.63127858,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008987,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:54.491000Z",
"spacegroup": 194
},
{
"id": "mp-1026680",
"created_at": "2022-09-04T14:46:23.736298Z",
"structure_string": "Na1 Mg14 Cr1\n1.0\n6.376122 -0.020537 0.000000\n-3.205847 5.552689 0.000000\n0.000000 0.000000 10.257656\nNa Mg Cr\n1 14 1\ndirect\n0.166777 0.333388 0.125000 Na\n0.167731 0.333865 0.625000 Mg\n0.167150 0.833574 0.625000 Mg\n0.665860 0.332970 0.125000 Mg\n0.666367 0.333543 0.625000 Mg\n0.665860 0.832889 0.125000 Mg\n0.666367 0.832822 0.625000 Mg\n0.332050 0.161165 0.374654 Mg\n0.332050 0.161165 0.875346 Mg\n0.332050 0.670886 0.374654 Mg\n0.332050 0.670886 0.875346 Mg\n0.831114 0.165558 0.379500 Mg\n0.831114 0.165558 0.870500 Mg\n0.838046 0.669024 0.370823 Mg\n0.838046 0.669024 0.879177 Mg\n0.167366 0.833683 0.125000 Cr\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Cr"
],
"chemical_system": "Cr-Mg-Na",
"density": 1.902239278130752,
"density_atomic": 0.04413877242838415,
"volume": 362.49308985564227,
"volume_molar": 13.643652572737537,
"formula_full": "Na1 Mg14 Cr1",
"formula_reduced": "NaMg14Cr",
"formula_anonymous": "ABC14",
"energy": -31.6312379,
"energy_per_atom": -1.97695236875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.6312379,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.8719949,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.240000Z",
"spacegroup": 38
},
{
"id": "mp-30815",
"created_at": "2022-09-04T14:46:03.656972Z",
"structure_string": "La1 Al3 Pd2\n1.0\n2.771358 -4.800132 0.000000\n2.771358 4.800132 0.000000\n0.000000 0.000000 4.255603\nLa Al Pd\n1 3 2\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.666667 0.333333 0.000000 Pd\n0.333333 0.666667 0.000000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Al",
"Pd"
],
"chemical_system": "Al-La-Pd",
"density": 6.34584015568766,
"density_atomic": 0.052992491289317926,
"volume": 113.22358798423699,
"volume_molar": 11.36413973655533,
"formula_full": "La1 Al3 Pd2",
"formula_reduced": "LaAl3Pd2",
"formula_anonymous": "AB2C3",
"energy": -31.62969142,
"energy_per_atom": -5.271615236666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.62969142,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.35e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:18.977000Z",
"spacegroup": 191
},
{
"id": "mp-3412",
"created_at": "2022-09-04T14:47:02.999862Z",
"structure_string": "Eu1 Cu2 Si2\n1.0\n-2.042793 2.042793 4.974286\n2.042793 -2.042793 4.974286\n2.042793 2.042793 -4.974286\nEu Cu Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.619870 0.619870 0.000000 Si\n0.380130 0.380130 0.000000 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Eu",
"Cu",
"Si"
],
"chemical_system": "Cu-Eu-Si",
"density": 6.704225644366713,
"density_atomic": 0.060218584020872976,
"volume": 83.03084639563924,
"volume_molar": 10.000468888329562,
"formula_full": "Eu1 Cu2 Si2",
"formula_reduced": "Eu(CuSi)2",
"formula_anonymous": "AB2C2",
"energy": -31.48715445,
"energy_per_atom": -6.297430889999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.62915445,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.7414158,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:48.167000Z",
"spacegroup": 139
},
{
"id": "mp-865015",
"created_at": "2022-09-04T14:42:21.425195Z",
"structure_string": "Mn1 Si1 Rh2\n1.0\n0.000000 3.001653 3.001653\n3.001653 0.000000 3.001653\n3.001653 3.001653 0.000000\nMn Si Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Si\n0.750000 0.750000 0.750000 Rh\n0.250000 0.250000 0.250000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Si",
"Rh"
],
"chemical_system": "Mn-Rh-Si",
"density": 8.867205649007555,
"density_atomic": 0.07395176443959554,
"volume": 54.08931119239535,
"volume_molar": 8.143336140301207,
"formula_full": "Mn1 Si1 Rh2",
"formula_reduced": "MnSiRh2",
"formula_anonymous": "ABC2",
"energy": -31.62473681,
"energy_per_atom": -7.9061842025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.62473681,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.6796057,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.308000Z",
"spacegroup": 225
},
{
"id": "mp-1026563",
"created_at": "2022-09-04T14:40:41.708870Z",
"structure_string": "Ba1 Mg14 Cr1\n1.0\n6.604123 0.082053 0.000000\n-3.231002 5.596258 0.000000\n0.000000 0.000000 10.567594\nBa Mg Cr\n1 14 1\ndirect\n0.157021 0.328510 0.125000 Ba\n0.167427 0.333713 0.625000 Mg\n0.161513 0.830756 0.625000 Mg\n0.654161 0.318409 0.125000 Mg\n0.666460 0.337543 0.625000 Mg\n0.654161 0.835752 0.125000 Mg\n0.666460 0.828917 0.625000 Mg\n0.340076 0.160573 0.386664 Mg\n0.340076 0.160573 0.863336 Mg\n0.340076 0.679504 0.386664 Mg\n0.340076 0.679504 0.863336 Mg\n0.825203 0.162602 0.392465 Mg\n0.825203 0.162602 0.857535 Mg\n0.842389 0.671195 0.363482 Mg\n0.842389 0.671195 0.886518 Mg\n0.177306 0.838653 0.125000 Cr\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Cr"
],
"chemical_system": "Ba-Cr-Mg",
"density": 2.235621160230108,
"density_atomic": 0.040674926671341684,
"volume": 393.36272513241215,
"volume_molar": 14.805535628028597,
"formula_full": "Ba1 Mg14 Cr1",
"formula_reduced": "BaMg14Cr",
"formula_anonymous": "ABC14",
"energy": -31.62447657,
"energy_per_atom": -1.976529785625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.62447657,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.7165775,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.169000Z",
"spacegroup": 38
},
{
"id": "mp-1022005",
"created_at": "2022-09-04T14:42:50.296376Z",
"structure_string": "Na2 Mg12 Ni2\n1.0\n4.955406 0.000000 0.000000\n0.000000 6.292615 0.000000\n0.000000 0.000000 10.770134\nNa Mg Ni\n2 12 2\ndirect\n0.500000 0.500000 0.167557 Na\n0.500000 0.000000 0.667557 Na\n0.000000 0.241602 0.078107 Mg\n0.000000 0.758398 0.078107 Mg\n0.000000 0.500000 0.834443 Mg\n0.500000 0.233358 0.907493 Mg\n0.500000 0.766642 0.907493 Mg\n0.500000 0.500000 0.663947 Mg\n0.000000 0.741602 0.578107 Mg\n0.000000 0.258398 0.578107 Mg\n0.000000 0.000000 0.334443 Mg\n0.500000 0.733358 0.407493 Mg\n0.500000 0.266642 0.407493 Mg\n0.500000 0.000000 0.163947 Mg\n0.000000 0.500000 0.362853 Ni\n0.000000 0.000000 0.862853 Ni\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Ni"
],
"chemical_system": "Mg-Na-Ni",
"density": 2.249852895455765,
"density_atomic": 0.047641834090881165,
"volume": 335.8392955543763,
"volume_molar": 12.640446941048102,
"formula_full": "Na2 Mg12 Ni2",
"formula_reduced": "NaMg6Ni",
"formula_anonymous": "ABC6",
"energy": -31.61833118,
"energy_per_atom": -1.97614569875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.61833118,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020436,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.374000Z",
"spacegroup": 38
},
{
"id": "mp-1079720",
"created_at": "2022-09-04T14:42:53.319193Z",
"structure_string": "Ag4 O4\n1.0\n3.639342 0.000000 0.000000\n0.000000 5.637373 0.000000\n0.000000 1.827867 5.569183\nAg O\n4 4\ndirect\n0.500000 0.500000 0.000000 Ag\n0.000000 0.000000 0.000000 Ag\n0.500000 0.000000 0.500000 Ag\n0.000000 0.500000 0.500000 Ag\n0.833554 0.283423 0.290376 O\n0.333554 0.216577 0.709624 O\n0.166446 0.716577 0.709624 O\n0.666446 0.783423 0.290376 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ag",
"O"
],
"chemical_system": "Ag-O",
"density": 7.2007159993612895,
"density_atomic": 0.07001625176547109,
"volume": 114.25918694986818,
"volume_molar": 8.601061336690766,
"formula_full": "Ag4 O4",
"formula_reduced": "AgO",
"formula_anonymous": "AB",
"energy": -34.36538392,
"energy_per_atom": -4.29567299,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.61738392,
"band_gap": 0.1159999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003972,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:02.644000Z",
"spacegroup": 14
},
{
"id": "mp-972237",
"created_at": "2022-09-04T14:45:35.489299Z",
"structure_string": "Tc3 H1\n1.0\n0.000000 2.955780 2.955780\n2.955780 0.000000 2.955780\n2.955780 2.955780 0.000000\nTc H\n3 1\ndirect\n0.250000 0.250000 0.250000 Tc\n0.750000 0.750000 0.750000 Tc\n0.500000 0.500000 0.500000 Tc\n0.000000 0.000000 0.000000 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tc",
"H"
],
"chemical_system": "H-Tc",
"density": 9.48498150046882,
"density_atomic": 0.07744861880200059,
"volume": 51.6471444148811,
"volume_molar": 7.775659337961545,
"formula_full": "Tc3 H1",
"formula_reduced": "Tc3H",
"formula_anonymous": "AB3",
"energy": -31.79607671,
"energy_per_atom": -7.9490191775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.61707671,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5675633,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.008000Z",
"spacegroup": 225
},
{
"id": "mp-643243",
"created_at": "2022-09-04T14:44:29.627374Z",
"structure_string": "Cs2 H6 Pt1\n1.0\n0.000000 4.534724 4.534724\n4.534724 0.000000 4.534724\n4.534724 4.534724 0.000000\nCs H Pt\n2 6 1\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.816876 0.816876 0.183124 H\n0.183124 0.816876 0.183124 H\n0.816876 0.183124 0.183124 H\n0.183124 0.183124 0.816876 H\n0.816876 0.183124 0.816876 H\n0.183124 0.816876 0.816876 H\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Cs",
"H",
"Pt"
],
"chemical_system": "Cs-H-Pt",
"density": 4.157478082812132,
"density_atomic": 0.04825695731982184,
"volume": 186.50160515410687,
"volume_molar": 12.47932131337748,
"formula_full": "Cs2 H6 Pt1",
"formula_reduced": "Cs2H6Pt",
"formula_anonymous": "AB2C6",
"energy": -31.61682105,
"energy_per_atom": -3.5129801166666663,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.61682105,
"band_gap": 3.9083,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 3.29e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:39.602000Z",
"spacegroup": 225
}
]
}