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=density&page=10372",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=10370",
"results": [
{
"id": "mp-1234105",
"created_at": "2022-09-04T14:41:45.177334Z",
"structure_string": "Mg1 Ag14 Pb6 O18\n1.0\n-3.081003 5.331707 6.550940\n3.100755 5.205197 -6.439138\n-6.250970 -0.082029 -6.522890\nMg Ag Pb O\n1 14 6 18\ndirect\n0.388847 0.619649 0.380639 Mg\n0.827721 0.178520 0.648369 Ag\n0.161157 0.320348 0.830146 Ag\n0.685204 0.851031 0.828528 Ag\n0.489727 0.987559 0.506962 Ag\n0.088627 0.911419 0.941231 Ag\n0.217182 0.775657 0.749147 Ag\n0.403013 0.607159 0.701449 Ag\n0.616697 0.393709 0.411520 Ag\n0.748260 0.237140 0.242515 Ag\n0.911938 0.077438 0.058735 Ag\n0.020771 0.514304 0.504660 Ag\n0.836331 0.663912 0.164016 Ag\n0.154818 0.845755 0.317899 Ag\n0.507330 0.446605 0.051478 Ag\n0.495731 0.178377 0.815746 Pb\n0.829696 0.506260 0.821773 Pb\n0.166079 0.174407 0.488858 Pb\n0.828353 0.836129 0.493116 Pb\n0.149395 0.475407 0.143743 Pb\n0.512227 0.869079 0.129113 Pb\n0.766622 0.232772 0.835096 O\n0.564761 0.442654 0.823474 O\n0.894189 0.114286 0.471846 O\n0.223292 0.138617 0.762930 O\n0.866033 0.781844 0.767433 O\n0.480772 0.907630 0.861275 O\n0.104107 0.516238 0.882627 O\n0.435030 0.190079 0.551559 O\n0.823134 0.564627 0.556163 O\n0.522663 0.138244 0.072871 O\n0.204427 0.448855 0.445443 O\n0.892179 0.480949 0.091544 O\n0.557257 0.793167 0.465734 O\n0.118451 0.215222 0.225940 O\n0.783368 0.852808 0.228559 O\n0.424566 0.526057 0.217399 O\n0.099016 0.904781 0.507317 O\n0.239025 0.743313 0.179134 O\n",
"nsites": 39,
"nelements": 4,
"elements": [
"Mg",
"Ag",
"Pb",
"O"
],
"chemical_system": "Ag-Mg-O-Pb",
"density": 7.952048192006729,
"density_atomic": 0.060921709850200456,
"volume": 640.1658800433631,
"volume_molar": 9.88504881889848,
"formula_full": "Mg1 Ag14 Pb6 O18",
"formula_reduced": "MgAg14(PbO3)6",
"formula_anonymous": "AB6C14D18",
"energy": -185.55479054000003,
"energy_per_atom": -4.757815142051283,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -173.18879054,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.792000Z",
"spacegroup": 1
},
{
"id": "mp-1190791",
"created_at": "2022-09-04T14:46:16.212093Z",
"structure_string": "Dy2 Fe12 P7\n1.0\n4.482484 -7.763890 0.000000\n4.482484 7.763890 0.000000\n0.000000 0.000000 3.636040\nDy Fe P\n2 12 7\ndirect\n0.333333 0.666667 0.000000 Dy\n0.000000 0.000000 0.500000 Dy\n0.722301 0.760991 0.000000 Fe\n0.239009 0.961310 0.000000 Fe\n0.038690 0.277699 0.000000 Fe\n0.941903 0.489003 0.000000 Fe\n0.510997 0.452899 0.000000 Fe\n0.547101 0.058097 0.000000 Fe\n0.098485 0.716949 0.500000 Fe\n0.283051 0.381536 0.500000 Fe\n0.618464 0.901515 0.500000 Fe\n0.763334 0.550134 0.500000 Fe\n0.449866 0.213201 0.500000 Fe\n0.786799 0.236666 0.500000 Fe\n0.963313 0.743829 0.000000 P\n0.256171 0.219484 0.000000 P\n0.780516 0.036687 0.000000 P\n0.067897 0.444814 0.500000 P\n0.555186 0.623082 0.500000 P\n0.376918 0.932103 0.500000 P\n0.666667 0.333333 0.000000 P\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Dy",
"Fe",
"P"
],
"chemical_system": "Dy-Fe-P",
"density": 7.9520536357879665,
"density_atomic": 0.08297791636352934,
"volume": 253.07938449548695,
"volume_molar": 7.257522270885638,
"formula_full": "Dy2 Fe12 P7",
"formula_reduced": "Dy2Fe12P7",
"formula_anonymous": "A2B7C12",
"energy": -163.59512739,
"energy_per_atom": -7.7902441614285705,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -163.59512739,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2472778,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:28.634000Z",
"spacegroup": 174
},
{
"id": "mp-7273",
"created_at": "2022-09-04T14:40:59.153545Z",
"structure_string": "Te8 Rh3\n1.0\n4.575915 -4.650758 0.000000\n4.575915 4.650758 0.000000\n-0.150911 0.000000 6.522712\nTe Rh\n8 3\ndirect\n0.630915 0.630915 0.630915 Te\n0.369085 0.369085 0.369085 Te\n0.123323 0.870239 0.373692 Te\n0.373692 0.123323 0.870239 Te\n0.870239 0.373692 0.123323 Te\n0.876677 0.129761 0.626308 Te\n0.626308 0.876677 0.129761 Te\n0.129761 0.626308 0.876677 Te\n0.000000 0.500000 0.500000 Rh\n0.500000 0.000000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n",
"nsites": 11,
"nelements": 2,
"elements": [
"Te",
"Rh"
],
"chemical_system": "Rh-Te",
"density": 7.952120265111748,
"density_atomic": 0.039621671752739354,
"volume": 277.62584245929713,
"volume_molar": 15.199108199122474,
"formula_full": "Te8 Rh3",
"formula_reduced": "Te8Rh3",
"formula_anonymous": "A3B8",
"energy": -54.54458068,
"energy_per_atom": -4.958598243636364,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.16858068,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0083553,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:08.236000Z",
"spacegroup": 148
},
{
"id": "mp-1218020",
"created_at": "2022-09-04T14:42:21.501522Z",
"structure_string": "Ta2 Fe1 S4\n1.0\n1.661886 -2.878471 0.000000\n1.661886 2.878471 0.000000\n0.000000 0.000000 11.916915\nTa Fe S\n2 1 4\ndirect\n0.000000 0.000000 0.259697 Ta\n0.000000 0.000000 0.740303 Ta\n0.000000 0.000000 0.500000 Fe\n0.333333 0.666667 0.395933 S\n0.666667 0.333333 0.604067 S\n0.666667 0.333333 0.871180 S\n0.333333 0.666667 0.128820 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ta",
"Fe",
"S"
],
"chemical_system": "Fe-S-Ta",
"density": 7.952165677742201,
"density_atomic": 0.061396146687282334,
"volume": 114.01366987498562,
"volume_molar": 9.808662407876215,
"formula_full": "Ta2 Fe1 S4",
"formula_reduced": "Ta2FeS4",
"formula_anonymous": "AB2C4",
"energy": -56.71950539,
"energy_per_atom": -8.102786484285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.70750539,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.01e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.372000Z",
"spacegroup": 164
},
{
"id": "mp-862258",
"created_at": "2022-09-04T14:44:07.429238Z",
"structure_string": "Sc2 Zn1 Pt1\n1.0\n0.000000 3.319709 3.319709\n3.319709 0.000000 3.319709\n3.319709 3.319709 0.000000\nSc Zn Pt\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Zn",
"Pt"
],
"chemical_system": "Pt-Sc-Zn",
"density": 7.9522336275542225,
"density_atomic": 0.054667592450823706,
"volume": 73.16949257639624,
"volume_molar": 11.015924590820829,
"formula_full": "Sc2 Zn1 Pt1",
"formula_reduced": "Sc2ZnPt",
"formula_anonymous": "ABC2",
"energy": -23.33766182,
"energy_per_atom": -5.834415455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.33766182,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028076,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.429000Z",
"spacegroup": 225
},
{
"id": "mp-13933",
"created_at": "2022-09-04T14:40:55.628640Z",
"structure_string": "Ba2 Ho1 Re1 O6\n1.0\n0.000000 4.223855 4.223855\n4.223855 0.000000 4.223855\n4.223855 4.223855 0.000000\nBa Ho Re O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Ho\n0.000000 0.000000 0.000000 Re\n0.764402 0.764402 0.235598 O\n0.235598 0.235598 0.764402 O\n0.235598 0.764402 0.235598 O\n0.764402 0.235598 0.764402 O\n0.764402 0.235598 0.235598 O\n0.235598 0.764402 0.764402 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Ho",
"Re",
"O"
],
"chemical_system": "Ba-Ho-O-Re",
"density": 7.952461732009897,
"density_atomic": 0.06635031689819695,
"volume": 150.71518068773153,
"volume_molar": 9.07628032770353,
"formula_full": "Ba2 Ho1 Re1 O6",
"formula_reduced": "Ba2HoReO6",
"formula_anonymous": "ABC2D6",
"energy": -81.07559984,
"energy_per_atom": -8.107559984,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.95359984,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0008785,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:22.818000Z",
"spacegroup": 225
},
{
"id": "mp-770372",
"created_at": "2022-09-04T14:42:50.447522Z",
"structure_string": "Ce4 Hf4 O16\n1.0\n5.413206 0.000000 0.000000\n0.000000 7.702801 0.000000\n0.000000 0.870168 7.663950\nCe Hf O\n4 4 16\ndirect\n0.272576 0.385249 0.353017 Ce\n0.227424 0.885249 0.353017 Ce\n0.772576 0.114751 0.646983 Ce\n0.727424 0.614751 0.646983 Ce\n0.772543 0.185195 0.153449 Hf\n0.727457 0.685195 0.153449 Hf\n0.272543 0.314805 0.846551 Hf\n0.227457 0.814805 0.846551 Hf\n0.099577 0.315704 0.080495 O\n0.400423 0.815704 0.080495 O\n0.609214 0.428171 0.176579 O\n0.890786 0.928171 0.176579 O\n0.490214 0.114190 0.332447 O\n0.990332 0.165913 0.396835 O\n0.009786 0.614190 0.332447 O\n0.509668 0.665913 0.396835 O\n0.490332 0.334087 0.603165 O\n0.990214 0.385810 0.667553 O\n0.009668 0.834087 0.603165 O\n0.509786 0.885810 0.667553 O\n0.109214 0.071829 0.823421 O\n0.390786 0.571829 0.823421 O\n0.599577 0.184296 0.919505 O\n0.900423 0.684296 0.919505 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ce",
"Hf",
"O"
],
"chemical_system": "Ce-Hf-O",
"density": 7.952473773545154,
"density_atomic": 0.0751026646969041,
"volume": 319.56256275137645,
"volume_molar": 8.018544727146342,
"formula_full": "Ce4 Hf4 O16",
"formula_reduced": "CeHfO4",
"formula_anonymous": "ABC4",
"energy": -236.96921263,
"energy_per_atom": -9.873717192916667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -225.97721263,
"band_gap": 1.5109999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.334000Z",
"spacegroup": 14
},
{
"id": "mp-978891",
"created_at": "2022-09-04T14:41:10.040261Z",
"structure_string": "Sm2 In1 Ag1\n1.0\n0.000000 3.794768 3.794768\n3.794768 0.000000 3.794768\n3.794768 3.794768 0.000000\nSm In Ag\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sm\n0.750000 0.750000 0.750000 Sm\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"In",
"Ag"
],
"chemical_system": "Ag-In-Sm",
"density": 7.952474323726756,
"density_atomic": 0.03659942872997562,
"volume": 109.2913233567475,
"volume_molar": 16.45419332752523,
"formula_full": "Sm2 In1 Ag1",
"formula_reduced": "Sm2InAg",
"formula_anonymous": "ABC2",
"energy": -16.53331505,
"energy_per_atom": -4.1333287625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.53331505,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0129107,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.054000Z",
"spacegroup": 225
},
{
"id": "mp-1225179",
"created_at": "2022-09-04T14:40:13.056683Z",
"structure_string": "Fe12 Ge3 As2\n1.0\n5.693325 -3.423048 0.000000\n5.693325 3.423048 0.000000\n3.635255 0.000000 5.560228\nFe Ge As\n12 3 2\ndirect\n0.024001 0.725465 0.496316 Fe\n0.496316 0.024001 0.725465 Fe\n0.725465 0.496316 0.024001 Fe\n0.503684 0.274535 0.975999 Fe\n0.975999 0.503684 0.274535 Fe\n0.274535 0.975999 0.503684 Fe\n0.114871 0.114871 0.114871 Fe\n0.885129 0.885129 0.885129 Fe\n0.500000 0.500000 0.500000 Fe\n0.239672 0.760328 0.000000 Fe\n0.000000 0.239672 0.760328 Fe\n0.760328 0.000000 0.239672 Fe\n0.500000 0.847198 0.152802 Ge\n0.152802 0.500000 0.847198 Ge\n0.847198 0.152802 0.500000 Ge\n0.645548 0.645548 0.645548 As\n0.354452 0.354452 0.354452 As\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Fe",
"Ge",
"As"
],
"chemical_system": "As-Fe-Ge",
"density": 7.952512991518098,
"density_atomic": 0.07844176557143423,
"volume": 216.7212820384401,
"volume_molar": 7.677212153665565,
"formula_full": "Fe12 Ge3 As2",
"formula_reduced": "Fe12Ge3As2",
"formula_anonymous": "A2B3C12",
"energy": -125.73520579,
"energy_per_atom": -7.396188575882353,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -125.73520579,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 24.6301511,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.174000Z",
"spacegroup": 155
},
{
"id": "mp-1224916",
"created_at": "2022-09-04T14:43:15.530452Z",
"structure_string": "Fe4 Si4 Mo4\n1.0\n2.448000 -4.007311 0.000000\n2.448000 4.007311 0.000000\n0.000000 0.000000 7.657189\nFe Si Mo\n4 4 4\ndirect\n0.828205 0.171795 0.000000 Fe\n0.826272 0.652456 0.000000 Fe\n0.347544 0.173728 0.000000 Fe\n0.150824 0.849176 0.500000 Fe\n0.166548 0.355011 0.500000 Si\n0.644989 0.833452 0.500000 Si\n0.010609 0.989391 0.237905 Si\n0.010609 0.989391 0.762095 Si\n0.669865 0.330135 0.689001 Mo\n0.337321 0.662679 0.818164 Mo\n0.337321 0.662679 0.181836 Mo\n0.669865 0.330135 0.310999 Mo\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Fe",
"Si",
"Mo"
],
"chemical_system": "Fe-Mo-Si",
"density": 7.952527988220097,
"density_atomic": 0.07987620475750816,
"volume": 150.23247582218195,
"volume_molar": 7.539342634370637,
"formula_full": "Fe4 Si4 Mo4",
"formula_reduced": "FeSiMo",
"formula_anonymous": "ABC",
"energy": -102.56041157,
"energy_per_atom": -8.546700964166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -102.84441157,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.3835726,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.641000Z",
"spacegroup": 38
},
{
"id": "mp-1212329",
"created_at": "2022-09-04T14:48:11.292782Z",
"structure_string": "Ho16 Mg4 Ge16\n1.0\n7.212197 0.000000 0.000000\n0.000000 7.760028 0.000000\n0.000000 0.000000 14.544277\nHo Mg Ge\n16 4 16\ndirect\n0.009988 0.182714 0.094755 Ho\n0.990012 0.817286 0.905245 Ho\n0.490012 0.682714 0.905245 Ho\n0.990012 0.817286 0.594755 Ho\n0.509988 0.317286 0.094755 Ho\n0.009988 0.182714 0.405245 Ho\n0.509988 0.317286 0.405245 Ho\n0.490012 0.682714 0.594755 Ho\n0.330920 0.177594 0.626910 Ho\n0.669080 0.822406 0.373090 Ho\n0.169080 0.677594 0.373090 Ho\n0.669080 0.822406 0.126910 Ho\n0.830920 0.322406 0.626910 Ho\n0.330920 0.177594 0.873090 Ho\n0.830920 0.322406 0.873090 Ho\n0.169080 0.677594 0.126910 Ho\n0.160481 0.517444 0.750000 Mg\n0.839519 0.482556 0.250000 Mg\n0.339519 0.017444 0.250000 Mg\n0.660481 0.982556 0.750000 Mg\n0.024252 0.089681 0.750000 Ge\n0.975748 0.910319 0.250000 Ge\n0.475748 0.589681 0.250000 Ge\n0.524252 0.410319 0.750000 Ge\n0.288472 0.861554 0.750000 Ge\n0.711528 0.138446 0.250000 Ge\n0.211528 0.361554 0.250000 Ge\n0.788472 0.638446 0.750000 Ge\n0.171240 0.466001 0.535966 Ge\n0.828760 0.533999 0.464034 Ge\n0.328760 0.966001 0.464034 Ge\n0.828760 0.533999 0.035966 Ge\n0.671240 0.033999 0.535966 Ge\n0.171240 0.466001 0.964034 Ge\n0.671240 0.033999 0.964034 Ge\n0.328760 0.966001 0.035966 Ge\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Ho",
"Mg",
"Ge"
],
"chemical_system": "Ge-Ho-Mg",
"density": 7.952549400201492,
"density_atomic": 0.0442261866387812,
"volume": 813.9973788387218,
"volume_molar": 13.616685537882855,
"formula_full": "Ho16 Mg4 Ge16",
"formula_reduced": "Ho4MgGe4",
"formula_anonymous": "AB4C4",
"energy": -182.54810664,
"energy_per_atom": -5.07078074,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -182.54810664,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017814,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.859000Z",
"spacegroup": 62
},
{
"id": "mp-1018803",
"created_at": "2022-09-04T14:39:24.695651Z",
"structure_string": "Mn2 Co2 Sb2\n1.0\n4.045507 0.000000 0.000000\n0.000000 4.045507 0.000000\n0.000000 0.000000 6.012488\nMn Co Sb\n2 2 2\ndirect\n0.500000 0.000000 0.258242 Mn\n0.000000 0.500000 0.741758 Mn\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.722285 Sb\n0.000000 0.500000 0.277715 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mn",
"Co",
"Sb"
],
"chemical_system": "Co-Mn-Sb",
"density": 7.952649193044462,
"density_atomic": 0.060974902400842024,
"volume": 98.40114151485946,
"volume_molar": 9.87642541911939,
"formula_full": "Mn2 Co2 Sb2",
"formula_reduced": "MnCoSb",
"formula_anonymous": "ABC",
"energy": -41.55455491,
"energy_per_atom": -6.925759151666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.17055491,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.3677421,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.498000Z",
"spacegroup": 129
}
]
}