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=10170",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=10168",
"results": [
{
"id": "mp-1095660",
"created_at": "2022-09-04T14:48:27.416276Z",
"structure_string": "Eu2 In8 Cu2\n1.0\n2.299333 -8.509590 0.000000\n2.299333 8.509590 0.000000\n0.000000 0.000000 7.424515\nEu In Cu\n2 8 2\ndirect\n0.878873 0.121127 0.750000 Eu\n0.121127 0.878873 0.250000 Eu\n0.500000 0.500000 0.000000 In\n0.500000 0.500000 0.500000 In\n0.072665 0.927335 0.750000 In\n0.927335 0.072665 0.250000 In\n0.685425 0.314575 0.949847 In\n0.314575 0.685425 0.050153 In\n0.685425 0.314575 0.550153 In\n0.314575 0.685425 0.449847 In\n0.229883 0.770117 0.750000 Cu\n0.770117 0.229883 0.250000 Cu\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Eu",
"In",
"Cu"
],
"chemical_system": "Cu-Eu-In",
"density": 7.713189286928678,
"density_atomic": 0.041302149384951546,
"volume": 290.5417799968591,
"volume_molar": 14.580695798350314,
"formula_full": "Eu2 In8 Cu2",
"formula_reduced": "EuIn4Cu",
"formula_anonymous": "ABC4",
"energy": -53.94807749,
"energy_per_atom": -4.495673124166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.94807749,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9120999,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:38.396000Z",
"spacegroup": 63
},
{
"id": "mp-1008785",
"created_at": "2022-09-04T14:45:41.256297Z",
"structure_string": "Ru1 O2\n1.0\n0.000000 2.428586 2.428586\n2.428586 0.000000 2.428586\n2.428586 2.428586 0.000000\nRu O\n1 2\ndirect\n0.000000 0.000000 0.000000 Ru\n0.750000 0.750000 0.750000 O\n0.250000 0.250000 0.250000 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ru",
"O"
],
"chemical_system": "O-Ru",
"density": 7.713205120800527,
"density_atomic": 0.1047202807065196,
"volume": 28.647745973939394,
"volume_molar": 5.750691957059544,
"formula_full": "Ru1 O2",
"formula_reduced": "RuO2",
"formula_anonymous": "AB2",
"energy": -22.97913403,
"energy_per_atom": -7.659711343333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.60513403,
"band_gap": 0.6072000000000006,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005869,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.996000Z",
"spacegroup": 225
},
{
"id": "mp-2724",
"created_at": "2022-09-04T14:44:11.451969Z",
"structure_string": "Tb1 Sb1\n1.0\n0.000000 3.114590 3.114590\n3.114590 0.000000 3.114590\n3.114590 3.114590 0.000000\nTb Sb\n1 1\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tb",
"Sb"
],
"chemical_system": "Sb-Tb",
"density": 7.71322842344794,
"density_atomic": 0.03309766419664478,
"volume": 60.42722495815117,
"volume_molar": 18.195062721708574,
"formula_full": "Tb1 Sb1",
"formula_reduced": "TbSb",
"formula_anonymous": "AB",
"energy": -11.2367957,
"energy_per_atom": -5.61839785,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.0447957,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007771,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:25.813000Z",
"spacegroup": 225
},
{
"id": "mp-1044534",
"created_at": "2022-09-04T14:41:30.978586Z",
"structure_string": "W6 O14\n1.0\n3.857970 0.000000 0.000000\n0.000000 6.360577 0.000000\n0.000000 0.000000 11.642264\nW O\n6 14\ndirect\n0.509540 0.000000 0.772758 W\n0.490460 0.500000 0.727242 W\n0.490460 0.500000 0.272758 W\n0.509540 0.000000 0.227242 W\n0.486555 0.000000 0.500000 W\n0.513445 0.500000 0.000000 W\n0.505973 0.708050 0.863622 O\n0.494027 0.208050 0.636378 O\n0.494027 0.791950 0.363622 O\n0.505973 0.291950 0.136378 O\n0.494027 0.791950 0.636378 O\n0.505973 0.291950 0.863622 O\n0.505973 0.708050 0.136378 O\n0.494027 0.208050 0.363622 O\n0.990001 0.000000 0.500000 O\n0.009999 0.500000 0.000000 O\n0.006553 0.000000 0.212369 O\n0.993447 0.500000 0.287631 O\n0.993447 0.500000 0.712369 O\n0.006553 0.000000 0.787631 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"W",
"O"
],
"chemical_system": "O-W",
"density": 7.713252672435556,
"density_atomic": 0.07000631081717318,
"volume": 285.68852959887465,
"volume_molar": 8.602282693809247,
"formula_full": "W6 O14",
"formula_reduced": "W3O7",
"formula_anonymous": "A3B7",
"energy": -187.00981049,
"energy_per_atom": -9.3504905245,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -150.76381049,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.435000Z",
"spacegroup": 59
},
{
"id": "mp-1222614",
"created_at": "2022-09-04T14:42:11.695800Z",
"structure_string": "Li2 Pd1 Pb1\n1.0\n-3.278911 0.000000 -3.278911\n3.278911 -3.278911 0.000000\n-3.278911 -3.278911 0.000000\nLi Pd Pb\n2 1 1\ndirect\n0.000000 0.500000 0.500000 Li\n0.500000 0.750000 0.750000 Li\n0.500000 0.250000 0.250000 Pd\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Pd",
"Pb"
],
"chemical_system": "Li-Pb-Pd",
"density": 7.713370138511579,
"density_atomic": 0.05673370022063976,
"volume": 70.50483195074234,
"volume_molar": 10.614750556687895,
"formula_full": "Li2 Pd1 Pb1",
"formula_reduced": "Li2PdPb",
"formula_anonymous": "ABC2",
"energy": -14.45658896,
"energy_per_atom": -3.61414724,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.45658896,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001469,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.723000Z",
"spacegroup": 216
},
{
"id": "mp-1218538",
"created_at": "2022-09-04T14:39:17.307327Z",
"structure_string": "Sr4 Zn1 Ir3 O12\n1.0\n5.643133 0.000000 0.000000\n0.005145 5.674011 0.000000\n0.012685 0.059837 7.964171\nSr Zn Ir O\n4 1 3 12\ndirect\n0.497233 0.534227 0.757821 Sr\n0.009640 0.038441 0.758468 Sr\n0.502767 0.465773 0.242179 Sr\n0.990360 0.961559 0.241532 Sr\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n0.500000 0.000000 0.000000 Ir\n0.225109 0.790202 0.970374 O\n0.298010 0.299046 0.538039 O\n0.798375 0.202921 0.463458 O\n0.707441 0.723924 0.032460 O\n0.774891 0.209798 0.029626 O\n0.701990 0.700954 0.461961 O\n0.201625 0.797079 0.536542 O\n0.292559 0.276076 0.967540 O\n0.573792 0.987364 0.751054 O\n0.940100 0.493024 0.740580 O\n0.426208 0.012636 0.248946 O\n0.059900 0.506976 0.259420 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Zn",
"Ir",
"O"
],
"chemical_system": "Ir-O-Sr-Zn",
"density": 7.713387552979672,
"density_atomic": 0.0784294121640668,
"volume": 255.00637386089187,
"volume_molar": 7.678421390437378,
"formula_full": "Sr4 Zn1 Ir3 O12",
"formula_reduced": "Sr4Zn(IrO4)3",
"formula_anonymous": "AB3C4D12",
"energy": -135.80252801,
"energy_per_atom": -6.7901264005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -127.55852801,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9544652,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.209000Z",
"spacegroup": 2
},
{
"id": "mp-8540",
"created_at": "2022-09-04T14:41:36.874068Z",
"structure_string": "Nd1 Rh1 C2\n1.0\n2.365411 -3.318571 0.000000\n2.365411 3.318571 0.000000\n0.000000 0.000000 3.718364\nNd Rh C\n1 1 2\ndirect\n0.974955 0.025045 0.000000 Nd\n0.350748 0.649252 0.500000 Rh\n0.518493 0.196195 0.500000 C\n0.803805 0.481507 0.500000 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nd",
"Rh",
"C"
],
"chemical_system": "C-Nd-Rh",
"density": 7.713462166326294,
"density_atomic": 0.06852047550969767,
"volume": 58.37671105236102,
"volume_molar": 8.788819276579146,
"formula_full": "Nd1 Rh1 C2",
"formula_reduced": "NdRhC2",
"formula_anonymous": "ABC2",
"energy": -31.6785839,
"energy_per_atom": -7.919645975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.6785839,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.9e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:27.448000Z",
"spacegroup": 38
},
{
"id": "mp-640324",
"created_at": "2022-09-04T14:45:15.243458Z",
"structure_string": "Tm4 Cu4 Pb4 Se12\n1.0\n4.048073 0.000000 0.000000\n0.000000 10.539323 0.000000\n0.000000 0.000000 13.655407\nTm Cu Pb Se\n4 4 4 12\ndirect\n0.250000 0.006867 0.755664 Tm\n0.750000 0.493133 0.255664 Tm\n0.750000 0.993133 0.244336 Tm\n0.250000 0.506867 0.744336 Tm\n0.750000 0.751983 0.719712 Cu\n0.250000 0.748017 0.219712 Cu\n0.250000 0.248017 0.280288 Cu\n0.750000 0.251983 0.780288 Cu\n0.250000 0.268536 0.995347 Pb\n0.250000 0.768536 0.504653 Pb\n0.750000 0.231464 0.495347 Pb\n0.750000 0.731464 0.004653 Pb\n0.250000 0.055297 0.385901 Se\n0.250000 0.429871 0.391469 Se\n0.750000 0.745353 0.328310 Se\n0.250000 0.929871 0.108531 Se\n0.250000 0.754647 0.828310 Se\n0.750000 0.944703 0.614099 Se\n0.750000 0.444703 0.885901 Se\n0.750000 0.570129 0.608531 Se\n0.750000 0.070129 0.891469 Se\n0.750000 0.245353 0.171690 Se\n0.250000 0.555297 0.114099 Se\n0.250000 0.254647 0.671690 Se\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Tm",
"Cu",
"Pb",
"Se"
],
"chemical_system": "Cu-Pb-Se-Tm",
"density": 7.713470840723002,
"density_atomic": 0.04119509821635134,
"volume": 582.5935861095682,
"volume_molar": 14.6185857559375,
"formula_full": "Tm4 Cu4 Pb4 Se12",
"formula_reduced": "TmCuPbSe3",
"formula_anonymous": "ABCD3",
"energy": -120.61802751,
"energy_per_atom": -5.02575114625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -114.95402751,
"band_gap": 1.1223,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0044946,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:59.955000Z",
"spacegroup": 62
},
{
"id": "mp-30890",
"created_at": "2022-09-04T14:42:23.810174Z",
"structure_string": "Hg9 S3 O18\n1.0\n3.588167 -6.214887 0.000000\n3.588167 6.214887 0.000000\n0.000000 0.000000 10.568302\nHg S O\n9 3 18\ndirect\n0.498348 0.189105 0.673986 Hg\n0.690757 0.501652 0.340652 Hg\n0.810895 0.309243 0.007319 Hg\n0.299552 0.295742 0.998787 Hg\n0.996190 0.700448 0.665453 Hg\n0.704258 0.003810 0.332120 Hg\n0.495686 0.687740 0.648911 Hg\n0.192054 0.504314 0.315577 Hg\n0.312260 0.807946 0.982244 Hg\n0.777885 0.764592 0.991416 S\n0.986707 0.222115 0.658082 S\n0.235408 0.013293 0.324749 S\n0.125414 0.401843 0.568618 O\n0.276430 0.874586 0.235285 O\n0.598157 0.723570 0.901951 O\n0.803253 0.051425 0.583399 O\n0.248172 0.196747 0.250065 O\n0.948575 0.751828 0.916732 O\n0.326542 0.850519 0.710469 O\n0.523977 0.673458 0.377136 O\n0.149481 0.476023 0.043803 O\n0.899180 0.308065 0.757239 O\n0.408885 0.100820 0.423906 O\n0.691935 0.591115 0.090573 O\n0.480764 0.148842 0.947086 O\n0.851158 0.331922 0.280420 O\n0.668078 0.519236 0.613753 O\n0.864210 0.977683 0.053923 O\n0.022317 0.886527 0.387256 O\n0.113473 0.135790 0.720590 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Hg",
"S",
"O"
],
"chemical_system": "Hg-O-S",
"density": 7.71350563852146,
"density_atomic": 0.06364732556626457,
"volume": 471.3473776485136,
"volume_molar": 9.461734183520758,
"formula_full": "Hg9 S3 O18",
"formula_reduced": "Hg3SO6",
"formula_anonymous": "AB3C6",
"energy": -139.89564694,
"energy_per_atom": -4.663188231333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -127.52964694,
"band_gap": 0.5752,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001603,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:45.876000Z",
"spacegroup": 144
},
{
"id": "mp-1199667",
"created_at": "2022-09-04T14:45:06.791020Z",
"structure_string": "Tl8 Re12 S24\n1.0\n4.951903 8.404539 0.000000\n-4.951903 8.404539 0.000000\n0.000000 0.014757 11.998140\nTl Re S\n8 12 24\ndirect\n0.585607 0.414393 0.250000 Tl\n0.414393 0.585607 0.750000 Tl\n0.207024 0.792976 0.250000 Tl\n0.792976 0.207024 0.750000 Tl\n0.353698 0.876426 0.513166 Tl\n0.123574 0.646302 0.986834 Tl\n0.646302 0.123574 0.486834 Tl\n0.876426 0.353698 0.013166 Tl\n0.692090 0.992343 0.025384 Re\n0.007657 0.307910 0.474616 Re\n0.307910 0.007657 0.974616 Re\n0.992343 0.692090 0.525384 Re\n0.526142 0.884300 0.131110 Re\n0.115700 0.473858 0.368890 Re\n0.473858 0.115700 0.868890 Re\n0.884300 0.526142 0.631110 Re\n0.398748 0.186813 0.082479 Re\n0.813187 0.601252 0.417521 Re\n0.601252 0.813187 0.917521 Re\n0.186813 0.398748 0.582479 Re\n0.990602 0.942243 0.572699 S\n0.057757 0.009398 0.927301 S\n0.009398 0.057757 0.427301 S\n0.942243 0.990602 0.072699 S\n0.746105 0.926002 0.830974 S\n0.073998 0.253895 0.669026 S\n0.253895 0.073998 0.169026 S\n0.926002 0.746105 0.330974 S\n0.283920 0.208916 0.431222 S\n0.791084 0.716080 0.068778 S\n0.716080 0.791084 0.568778 S\n0.208916 0.283920 0.931222 S\n0.392561 0.943600 0.783068 S\n0.056400 0.607439 0.716932 S\n0.607439 0.056400 0.216932 S\n0.943600 0.392561 0.283068 S\n0.438072 0.729817 0.020897 S\n0.270183 0.561928 0.479103 S\n0.561928 0.270183 0.979103 S\n0.729817 0.438072 0.520897 S\n0.561405 0.731427 0.306543 S\n0.268573 0.438595 0.193457 S\n0.438595 0.268573 0.693457 S\n0.731427 0.561405 0.806543 S\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Tl",
"Re",
"S"
],
"chemical_system": "Re-S-Tl",
"density": 7.713542179598569,
"density_atomic": 0.044057792164439016,
"volume": 998.6882646269855,
"volume_molar": 13.668730238508717,
"formula_full": "Tl8 Re12 S24",
"formula_reduced": "Tl2(ReS2)3",
"formula_anonymous": "A2B3C6",
"energy": -302.00938264,
"energy_per_atom": -6.863849605454546,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -289.93738264,
"band_gap": 1.4307000000000007,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:47.115000Z",
"spacegroup": 15
},
{
"id": "mp-1008285",
"created_at": "2022-09-04T14:39:17.357189Z",
"structure_string": "Cr3 Fe1\n1.0\n3.572680 0.000000 0.000000\n0.000000 3.572680 0.000000\n0.000000 0.000000 3.572680\nCr Fe\n3 1\ndirect\n0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cr",
"Fe"
],
"chemical_system": "Cr-Fe",
"density": 7.71366853712277,
"density_atomic": 0.08771576087912467,
"volume": 45.601838938752834,
"volume_molar": 6.865517325100464,
"formula_full": "Cr3 Fe1",
"formula_reduced": "Cr3Fe",
"formula_anonymous": "AB3",
"energy": -36.39152106,
"energy_per_atom": -9.097880265,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.39152106,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0069189,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.897000Z",
"spacegroup": 221
},
{
"id": "mp-1188557",
"created_at": "2022-09-04T14:43:43.035336Z",
"structure_string": "Sm6 In10\n1.0\n4.107731 -5.078368 0.000000\n4.107731 5.078368 0.000000\n0.000000 0.000000 10.579288\nSm In\n6 10\ndirect\n0.627734 0.627734 0.250000 Sm\n0.372266 0.372266 0.750000 Sm\n0.202499 0.797501 0.500000 Sm\n0.202499 0.797501 0.000000 Sm\n0.797501 0.202499 0.500000 Sm\n0.797501 0.202499 0.000000 Sm\n0.011137 0.011137 0.250000 In\n0.988863 0.988863 0.750000 In\n0.309067 0.309067 0.046935 In\n0.690933 0.690933 0.953065 In\n0.309067 0.309067 0.453065 In\n0.690933 0.690933 0.546935 In\n0.507291 0.075773 0.250000 In\n0.924227 0.492709 0.750000 In\n0.492709 0.924227 0.750000 In\n0.075773 0.507291 0.250000 In\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Sm",
"In"
],
"chemical_system": "In-Sm",
"density": 7.713693565991361,
"density_atomic": 0.036249947579394225,
"volume": 441.3799486180492,
"volume_molar": 16.61282612012162,
"formula_full": "Sm6 In10",
"formula_reduced": "Sm3In5",
"formula_anonymous": "A3B5",
"energy": -63.8050824,
"energy_per_atom": -3.98781765,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.8050824,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0063444,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:21.045000Z",
"spacegroup": 63
}
]
}