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=-nelements&page=12122",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=12120",
"results": [
{
"id": "mp-1100444",
"created_at": "2022-09-04T14:47:21.745535Z",
"structure_string": "Mg8 Si14\n1.0\n2.010561 14.797419 0.000000\n-2.010561 14.797419 0.000000\n0.000000 0.550391 6.807664\nMg Si\n8 14\ndirect\n0.983159 0.983159 0.058207 Mg\n0.189081 0.189081 0.320829 Mg\n0.765759 0.765759 0.128006 Mg\n0.616461 0.616461 0.526828 Mg\n0.029252 0.029252 0.561289 Mg\n0.835951 0.835951 0.568937 Mg\n0.732422 0.732422 0.631831 Mg\n0.653998 0.653998 0.017666 Mg\n0.467222 0.467222 0.405512 Si\n0.461921 0.461921 0.762704 Si\n0.913777 0.913777 0.784949 Si\n0.922325 0.922325 0.395469 Si\n0.165201 0.165201 0.707103 Si\n0.220954 0.220954 0.940467 Si\n0.334191 0.334191 0.139422 Si\n0.541439 0.541439 0.862648 Si\n0.095854 0.095854 0.236450 Si\n0.879753 0.879753 0.115303 Si\n0.280124 0.280124 0.420973 Si\n0.542315 0.542315 0.228651 Si\n0.091880 0.091880 0.877678 Si\n0.299181 0.299181 0.812778 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.408945068367909,
"density_atomic": 0.05431144369335474,
"volume": 405.07116924037507,
"volume_molar": 11.08816181356055,
"formula_full": "Mg8 Si14",
"formula_reduced": "Mg4Si7",
"formula_anonymous": "A4B7",
"energy": -85.20271142,
"energy_per_atom": -3.872850519090909,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.19671142,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030982,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:06.842000Z",
"spacegroup": 8
},
{
"id": "mp-1186364",
"created_at": "2022-09-04T14:47:25.505625Z",
"structure_string": "P2 Pt2\n1.0\n1.871514 -3.241557 0.000000\n1.871514 3.241557 0.000000\n0.000000 0.000000 6.353743\nP Pt\n2 2\ndirect\n0.000000 0.000000 0.003103 P\n0.333334 0.666666 0.503102 P\n0.000000 0.000000 0.371899 Pt\n0.333334 0.666666 0.871899 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"P",
"Pt"
],
"chemical_system": "P-Pt",
"density": 9.738501466671348,
"density_atomic": 0.05188640825704391,
"volume": 77.09147991481902,
"volume_molar": 11.606393586093825,
"formula_full": "P2 Pt2",
"formula_reduced": "PPt",
"formula_anonymous": "AB",
"energy": -24.2204962,
"energy_per_atom": -6.05512405,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.2204962,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020181,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:08.144000Z",
"spacegroup": 186
},
{
"id": "mp-554243",
"created_at": "2022-09-04T14:47:11.903906Z",
"structure_string": "Si6 O12\n1.0\n3.681413 -6.376394 0.000000\n3.681413 6.376394 0.000000\n0.000000 0.000000 7.051009\nSi O\n6 12\ndirect\n0.534369 0.767185 0.416667 Si\n0.465631 0.232815 0.916667 Si\n0.232815 0.465631 0.750000 Si\n0.767185 0.232815 0.583333 Si\n0.767185 0.534369 0.250000 Si\n0.232815 0.767185 0.083333 Si\n0.611807 0.388193 0.083333 O\n0.000000 0.684501 0.166667 O\n0.776385 0.388193 0.416667 O\n0.684501 0.684501 0.333333 O\n0.315499 0.315499 0.833333 O\n0.611807 0.223615 0.750000 O\n0.223615 0.611807 0.916667 O\n0.315499 0.000000 0.000000 O\n0.000000 0.315499 0.666667 O\n0.388193 0.776385 0.250000 O\n0.388193 0.611807 0.583333 O\n0.684501 0.000000 0.500000 O\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 1.8083829470444959,
"density_atomic": 0.0543752860173908,
"volume": 331.0327414966254,
"volume_molar": 11.075143141452063,
"formula_full": "Si6 O12",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy": -150.56694376,
"energy_per_atom": -8.364830208888888,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -142.32294376,
"band_gap": 5.627,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.765000Z",
"spacegroup": 179
},
{
"id": "mp-1015026",
"created_at": "2022-09-04T14:47:25.514853Z",
"structure_string": "Cr4 N8\n1.0\n4.435130 3.592933 0.000000\n-4.435130 3.592933 0.000000\n0.000000 1.039871 5.756982\nCr N\n4 8\ndirect\n0.044367 0.963851 0.997401 Cr\n0.963851 0.044367 0.497401 Cr\n0.372820 0.543609 0.915512 Cr\n0.543609 0.372820 0.415512 Cr\n0.278465 0.153565 0.466081 N\n0.153565 0.278465 0.966081 N\n0.898174 0.863076 0.281168 N\n0.863076 0.898174 0.781168 N\n0.480501 0.550357 0.625773 N\n0.550357 0.480501 0.125773 N\n0.262126 0.798810 0.963595 N\n0.798810 0.262126 0.463595 N\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Cr",
"N"
],
"chemical_system": "Cr-N",
"density": 2.8964784730845587,
"density_atomic": 0.06540348738307207,
"volume": 183.47645485194536,
"volume_molar": 9.207675310534999,
"formula_full": "Cr4 N8",
"formula_reduced": "CrN2",
"formula_anonymous": "AB2",
"energy": -105.49238389,
"energy_per_atom": -8.791031990833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -102.60438389,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.51e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:11.549000Z",
"spacegroup": 9
},
{
"id": "mp-1102295",
"created_at": "2022-09-04T14:47:21.186359Z",
"structure_string": "Yb4 Ru8\n1.0\n-2.610298 -4.516074 0.000000\n-2.610298 4.516074 0.000000\n0.000000 0.000000 -8.872818\nYb Ru\n4 8\ndirect\n0.666668 0.333332 0.564538 Yb\n0.333332 0.666668 0.435462 Yb\n0.333332 0.666668 0.064538 Yb\n0.666668 0.333332 0.935462 Yb\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.171728 0.343566 0.750000 Ru\n0.171808 0.828192 0.750000 Ru\n0.656434 0.828272 0.750000 Ru\n0.828272 0.656434 0.250000 Ru\n0.828192 0.171808 0.250000 Ru\n0.343566 0.171728 0.250000 Ru\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Yb",
"Ru"
],
"chemical_system": "Ru-Yb",
"density": 11.912586265618268,
"density_atomic": 0.05736388240203704,
"volume": 209.19086187189222,
"volume_molar": 10.498140132485434,
"formula_full": "Yb4 Ru8",
"formula_reduced": "YbRu2",
"formula_anonymous": "AB2",
"energy": -81.7244847,
"energy_per_atom": -6.810373725000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.7244847,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1001195,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:03.299000Z",
"spacegroup": 194
},
{
"id": "mp-754338",
"created_at": "2022-09-04T14:47:25.516362Z",
"structure_string": "Ag8 O4\n1.0\n-3.215154 3.232741 5.018487\n3.215154 -3.232741 5.018487\n3.215154 3.232741 -5.018487\nAg O\n8 4\ndirect\n0.000000 0.500000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.000000 0.500000 0.500000 Ag\n0.500000 0.250000 0.750000 Ag\n0.000000 0.000000 0.000000 Ag\n0.500000 0.000000 0.000000 Ag\n0.500000 0.750000 0.250000 Ag\n0.500000 0.500000 0.500000 Ag\n0.166188 0.887892 0.278296 O\n0.609596 0.387892 0.221704 O\n0.390404 0.612108 0.778296 O\n0.833812 0.112108 0.721704 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ag",
"O"
],
"chemical_system": "Ag-O",
"density": 7.377287939272943,
"density_atomic": 0.05751428965145442,
"volume": 208.64380091837828,
"volume_molar": 10.470686148599095,
"formula_full": "Ag8 O4",
"formula_reduced": "Ag2O",
"formula_anonymous": "AB2",
"energy": -45.92968391,
"energy_per_atom": -3.827473659166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.18168391,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001823,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.818000Z",
"spacegroup": 72
},
{
"id": "mp-22327",
"created_at": "2022-09-04T14:47:24.722310Z",
"structure_string": "Pu4 Ga12\n1.0\n9.730671 -3.076552 0.000000\n9.730671 3.076552 0.000000\n8.757956 0.000000 5.239212\nPu Ga\n4 12\ndirect\n0.711104 0.711104 0.711104 Pu\n0.288896 0.288896 0.288896 Pu\n0.872005 0.872005 0.872005 Pu\n0.127995 0.127995 0.127995 Pu\n0.208312 0.208312 0.709192 Ga\n0.709192 0.208312 0.208312 Ga\n0.208312 0.709192 0.208312 Ga\n0.791688 0.290808 0.791688 Ga\n0.154352 0.610421 0.610421 Ga\n0.610421 0.610421 0.154352 Ga\n0.610421 0.154352 0.610421 Ga\n0.389579 0.845648 0.389579 Ga\n0.845648 0.389579 0.389579 Ga\n0.389579 0.389579 0.845648 Ga\n0.290808 0.791688 0.791688 Ga\n0.791688 0.791688 0.290808 Ga\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Pu",
"Ga"
],
"chemical_system": "Ga-Pu",
"density": 9.59547029599014,
"density_atomic": 0.05100549490439182,
"volume": 313.69169204203376,
"volume_molar": 11.80684702949812,
"formula_full": "Pu4 Ga12",
"formula_reduced": "PuGa3",
"formula_anonymous": "AB3",
"energy": -99.55201983,
"energy_per_atom": -6.222001239375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -99.55201983,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 22.2521456,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:09.838000Z",
"spacegroup": 166
},
{
"id": "mp-628742",
"created_at": "2022-09-04T14:47:25.517658Z",
"structure_string": "Cs20 Sb32\n1.0\n11.660383 0.000000 0.000000\n0.000000 7.470681 0.000000\n0.000000 3.269997 28.020275\nCs Sb\n20 32\ndirect\n0.570907 0.476808 0.426138 Cs\n0.396924 0.742525 0.978711 Cs\n0.807512 0.236170 0.690106 Cs\n0.603076 0.257475 0.021289 Cs\n0.536456 0.713501 0.257612 Cs\n0.192488 0.763830 0.309894 Cs\n0.813910 0.974375 0.377745 Cs\n0.963544 0.713501 0.757612 Cs\n0.686090 0.974375 0.877745 Cs\n0.692488 0.236170 0.190106 Cs\n0.186090 0.025625 0.622255 Cs\n0.313910 0.025625 0.122255 Cs\n0.463544 0.286499 0.742388 Cs\n0.307512 0.763830 0.809894 Cs\n0.929093 0.476808 0.926138 Cs\n0.103076 0.742525 0.478711 Cs\n0.429093 0.523192 0.573862 Cs\n0.896924 0.257475 0.521289 Cs\n0.070907 0.523192 0.073862 Cs\n0.036456 0.286499 0.242388 Cs\n0.699985 0.484724 0.816493 Sb\n0.752332 0.760921 0.524391 Sb\n0.142192 0.304701 0.837032 Sb\n0.129267 0.195286 0.744113 Sb\n0.639100 0.808516 0.112818 Sb\n0.524900 0.013267 0.625306 Sb\n0.642192 0.695299 0.662968 Sb\n0.596999 0.060940 0.527628 Sb\n0.199985 0.515276 0.683507 Sb\n0.975100 0.013267 0.125306 Sb\n0.139100 0.191484 0.387182 Sb\n0.800015 0.484724 0.316493 Sb\n0.370733 0.195286 0.244113 Sb\n0.300015 0.515276 0.183507 Sb\n0.475100 0.986733 0.374694 Sb\n0.039105 0.531343 0.608911 Sb\n0.252332 0.239079 0.975609 Sb\n0.247668 0.239079 0.475609 Sb\n0.860900 0.808516 0.612818 Sb\n0.857808 0.695299 0.162968 Sb\n0.629267 0.804714 0.755887 Sb\n0.870733 0.804714 0.255887 Sb\n0.403001 0.939060 0.472372 Sb\n0.460895 0.531343 0.108911 Sb\n0.903001 0.060940 0.027628 Sb\n0.539105 0.468657 0.891089 Sb\n0.024900 0.986733 0.874694 Sb\n0.096999 0.939060 0.972372 Sb\n0.360900 0.191484 0.887182 Sb\n0.960895 0.468657 0.391089 Sb\n0.747668 0.760921 0.024391 Sb\n0.357808 0.304701 0.337032 Sb\n",
"nsites": 52,
"nelements": 2,
"elements": [
"Cs",
"Sb"
],
"chemical_system": "Cs-Sb",
"density": 4.459011189407885,
"density_atomic": 0.02130384248734117,
"volume": 2440.8742240231363,
"volume_molar": 28.267861835621346,
"formula_full": "Cs20 Sb32",
"formula_reduced": "Cs5Sb8",
"formula_anonymous": "A5B8",
"energy": -174.5006172,
"energy_per_atom": -3.3557810999999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -168.3566172,
"band_gap": 0.5026999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.1808552,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:06.404000Z",
"spacegroup": 14
},
{
"id": "mp-715262",
"created_at": "2022-09-04T14:47:21.099396Z",
"structure_string": "Fe2 O2\n1.0\n-2.265717 -2.083392 0.000000\n0.000000 2.083392 2.265716\n-2.265716 4.166785 -2.265716\nFe O\n2 2\ndirect\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.750000 0.250000 0.250000 O\n0.250000 0.750000 0.750000 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 5.577375605140057,
"density_atomic": 0.09350134729262354,
"volume": 42.7801322207853,
"volume_molar": 6.440699449124511,
"formula_full": "Fe2 O2",
"formula_reduced": "FeO",
"formula_anonymous": "AB",
"energy": -32.72492176,
"energy_per_atom": -8.18123044,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.83892176,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.859000Z",
"spacegroup": 139
},
{
"id": "mp-1654",
"created_at": "2022-09-04T14:47:24.397495Z",
"structure_string": "Ce2 Ni4\n1.0\n0.000000 3.587073 3.587073\n3.587073 0.000000 3.587073\n3.587073 3.587073 0.000000\nCe Ni\n2 4\ndirect\n0.500000 0.500000 0.500000 Ce\n0.750000 0.750000 0.750000 Ce\n0.125000 0.125000 0.125000 Ni\n0.625000 0.125000 0.125000 Ni\n0.125000 0.625000 0.125000 Ni\n0.125000 0.125000 0.625000 Ni\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ce",
"Ni"
],
"chemical_system": "Ce-Ni",
"density": 9.264253028620365,
"density_atomic": 0.06499809220779913,
"volume": 92.31040167791353,
"volume_molar": 9.265103875275592,
"formula_full": "Ce2 Ni4",
"formula_reduced": "CeNi2",
"formula_anonymous": "AB2",
"energy": -37.2508372,
"energy_per_atom": -6.208472866666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.2508372,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0723391,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:10.402000Z",
"spacegroup": 227
},
{
"id": "mp-1215526",
"created_at": "2022-09-04T14:47:25.711203Z",
"structure_string": "Zn1 Fe3\n1.0\n-1.474543 -1.424814 1.424814\n-1.474543 1.424814 -1.424814\n0.000000 -5.773440 -5.773440\nZn Fe\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.257286 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.742714 Fe\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zn",
"Fe"
],
"chemical_system": "Fe-Zn",
"density": 7.9724235334828855,
"density_atomic": 0.08244222943464885,
"volume": 48.51882375610379,
"volume_molar": 7.304679654222225,
"formula_full": "Zn1 Fe3",
"formula_reduced": "ZnFe3",
"formula_anonymous": "AB3",
"energy": -26.58990509,
"energy_per_atom": -6.6474762725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.58990509,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.7857989,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.111000Z",
"spacegroup": 65
},
{
"id": "mp-557723",
"created_at": "2022-09-04T14:47:21.100193Z",
"structure_string": "Si12 O24\n1.0\n3.433122 -5.946341 0.000000\n3.433122 5.946341 0.000000\n0.000000 0.000000 13.588059\nSi O\n12 24\ndirect\n0.177273 0.772250 0.048893 Si\n0.772250 0.594977 0.382226 Si\n0.594977 0.822727 0.715560 Si\n0.227750 0.405023 0.382226 Si\n0.772250 0.177273 0.284440 Si\n0.405023 0.177273 0.715560 Si\n0.177273 0.405023 0.617774 Si\n0.822727 0.594977 0.617774 Si\n0.594977 0.772250 0.951107 Si\n0.405023 0.227750 0.951107 Si\n0.227750 0.822727 0.284440 Si\n0.822727 0.227750 0.048893 Si\n0.812332 0.624665 0.500000 O\n0.000000 0.183483 0.333333 O\n0.000000 0.500000 0.637025 O\n0.000000 0.816517 0.333333 O\n0.787430 0.393715 0.333333 O\n0.393715 0.787430 0.000000 O\n0.500000 0.500000 0.970358 O\n0.500000 0.000000 0.696308 O\n0.183483 0.183483 0.666667 O\n0.187668 0.375335 0.500000 O\n0.816517 0.000000 0.000000 O\n0.393715 0.606285 0.666667 O\n0.816517 0.816517 0.666667 O\n0.000000 0.500000 0.029642 O\n0.500000 0.000000 0.303692 O\n0.500000 0.500000 0.362975 O\n0.606285 0.212570 0.000000 O\n0.187668 0.812332 0.166667 O\n0.812332 0.187668 0.166667 O\n0.212570 0.606285 0.333333 O\n0.183483 0.000000 0.000000 O\n0.606285 0.393715 0.666667 O\n0.624665 0.812332 0.833333 O\n0.375335 0.187668 0.833333 O\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.1580667934051334,
"density_atomic": 0.06488973993468555,
"volume": 554.7872442736806,
"volume_molar": 9.280574657968357,
"formula_full": "Si12 O24",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy": -291.57455624,
"energy_per_atom": -8.09929322888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -275.08655624,
"band_gap": 3.6466,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 2.41e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:06.144000Z",
"spacegroup": 181
}
]
}