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_atomic&page=11539",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density_atomic&page=11537",
"results": [
{
"id": "mp-1184410",
"created_at": "2022-09-04T14:42:28.614323Z",
"structure_string": "Eu2 Mg2\n1.0\n4.105278 0.000000 0.000000\n0.000000 5.850505 0.000000\n0.000000 0.000000 5.853265\nEu Mg\n2 2\ndirect\n0.000000 0.750000 0.732090 Eu\n0.000000 0.250000 0.267910 Eu\n0.500000 0.750000 0.226110 Mg\n0.500000 0.250000 0.773890 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Eu",
"Mg"
],
"chemical_system": "Eu-Mg",
"density": 4.164097793767428,
"density_atomic": 0.028452856782688843,
"volume": 140.583422977536,
"volume_molar": 21.165329042333504,
"formula_full": "Eu2 Mg2",
"formula_reduced": "EuMg",
"formula_anonymous": "AB",
"energy": -24.00245721,
"energy_per_atom": -6.0006143025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.00245721,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.4177456,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.147000Z",
"spacegroup": 51
},
{
"id": "mp-1183072",
"created_at": "2022-09-04T14:39:29.802258Z",
"structure_string": "Ac2 Tl1 Cd1\n1.0\n0.000000 4.127045 4.127045\n4.127045 0.000000 4.127045\n4.127045 4.127045 0.000000\nAc Tl Cd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ac\n0.750000 0.750000 0.750000 Ac\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Tl",
"Cd"
],
"chemical_system": "Ac-Cd-Tl",
"density": 9.104162131637025,
"density_atomic": 0.028451972661202446,
"volume": 140.58779149097322,
"volume_molar": 21.165986737404275,
"formula_full": "Ac2 Tl1 Cd1",
"formula_reduced": "Ac2TlCd",
"formula_anonymous": "ABC2",
"energy": -12.81037748,
"energy_per_atom": -3.20259437,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.81037748,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.5994692,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.232000Z",
"spacegroup": 225
},
{
"id": "mp-1114031",
"created_at": "2022-09-04T14:45:40.330011Z",
"structure_string": "K1 Rb2 Tl1 Cl6\n1.0\n0.000000 5.601303 5.601303\n5.601303 0.000000 5.601303\n5.601303 5.601303 0.000000\nK Rb Tl Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Tl\n0.766523 0.233477 0.233477 Cl\n0.233477 0.233477 0.766523 Cl\n0.233477 0.766523 0.766523 Cl\n0.233477 0.766523 0.233477 Cl\n0.766523 0.233477 0.766523 Cl\n0.766523 0.766523 0.233477 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Tl",
"Cl"
],
"chemical_system": "Cl-K-Rb-Tl",
"density": 2.9628733020064035,
"density_atomic": 0.028451345236074545,
"volume": 351.4772295308068,
"volume_molar": 21.166453501693475,
"formula_full": "K1 Rb2 Tl1 Cl6",
"formula_reduced": "KRb2TlCl6",
"formula_anonymous": "ABC2D6",
"energy": -34.65528042,
"energy_per_atom": -3.465528042,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.97128042,
"band_gap": 2.416,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.535000Z",
"spacegroup": 225
},
{
"id": "mp-1194611",
"created_at": "2022-09-04T14:40:58.790782Z",
"structure_string": "Ba4 U4 Te24\n1.0\n15.281427 0.000000 0.000000\n0.000000 8.163301 0.000000\n0.000000 0.239924 9.016211\nBa U Te\n4 4 24\ndirect\n0.090498 0.230163 0.236466 Ba\n0.590498 0.269837 0.763534 Ba\n0.909502 0.769837 0.763534 Ba\n0.409502 0.730163 0.236466 Ba\n0.750599 0.391823 0.273899 U\n0.250599 0.108177 0.726101 U\n0.249401 0.608177 0.726101 U\n0.749401 0.891823 0.273899 U\n0.763906 0.148131 0.005538 Te\n0.263906 0.351869 0.994462 Te\n0.236094 0.851869 0.994462 Te\n0.736094 0.648131 0.005538 Te\n0.898863 0.391320 0.029901 Te\n0.398863 0.108680 0.970099 Te\n0.101137 0.608680 0.970099 Te\n0.601137 0.891320 0.029901 Te\n0.553092 0.387789 0.173385 Te\n0.053092 0.112211 0.826615 Te\n0.446908 0.612211 0.826615 Te\n0.946908 0.887789 0.173385 Te\n0.606396 0.136802 0.389364 Te\n0.106396 0.363198 0.610636 Te\n0.393604 0.863198 0.610636 Te\n0.893604 0.636802 0.389364 Te\n0.883368 0.132146 0.421043 Te\n0.383368 0.367854 0.578957 Te\n0.116632 0.867854 0.578957 Te\n0.616632 0.632146 0.421043 Te\n0.805516 0.378676 0.609523 Te\n0.305516 0.121324 0.390477 Te\n0.194484 0.621324 0.390477 Te\n0.694484 0.878676 0.609523 Te\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Ba",
"U",
"Te"
],
"chemical_system": "Ba-Te-U",
"density": 6.737893823805599,
"density_atomic": 0.028450911865237176,
"volume": 1124.744266601145,
"volume_molar": 21.16677591398457,
"formula_full": "Ba4 U4 Te24",
"formula_reduced": "BaUTe6",
"formula_anonymous": "ABC6",
"energy": -161.70211836,
"energy_per_atom": -5.05319119875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -151.57411836,
"band_gap": 0.1816999999999993,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0002609,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:01.505000Z",
"spacegroup": 14
},
{
"id": "mp-1219836",
"created_at": "2022-09-04T14:48:26.542655Z",
"structure_string": "Pr2 Y1\n1.0\n9.113286 -1.833842 0.000000\n9.113286 1.833842 0.000000\n8.744267 0.000000 3.154798\nPr Y\n2 1\ndirect\n0.775078 0.775078 0.775078 Pr\n0.224922 0.224922 0.224922 Pr\n0.000000 0.000000 0.000000 Y\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Pr",
"Y"
],
"chemical_system": "Pr-Y",
"density": 5.837918042928192,
"density_atomic": 0.02845003384242312,
"volume": 105.4480292226073,
"volume_molar": 21.16742916143782,
"formula_full": "Pr2 Y1",
"formula_reduced": "Pr2Y",
"formula_anonymous": "AB2",
"energy": -15.95840158,
"energy_per_atom": -5.319467193333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.95840158,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0804002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:37.754000Z",
"spacegroup": 166
},
{
"id": "mp-29468",
"created_at": "2022-09-04T14:46:40.470356Z",
"structure_string": "Rb12 Cl8 O2\n1.0\n6.525854 -6.455640 0.000000\n6.525854 6.455640 0.000000\n0.139672 0.000000 9.178374\nRb Cl O\n12 8 2\ndirect\n0.056462 0.929679 0.717391 Rb\n0.929679 0.717391 0.056462 Rb\n0.717391 0.056462 0.929679 Rb\n0.570321 0.443538 0.782609 Rb\n0.782609 0.570321 0.443538 Rb\n0.443538 0.782609 0.570321 Rb\n0.070321 0.282609 0.943538 Rb\n0.943538 0.070321 0.282609 Rb\n0.282609 0.943538 0.070321 Rb\n0.429679 0.556462 0.217391 Rb\n0.217391 0.429679 0.556462 Rb\n0.556462 0.217391 0.429679 Rb\n0.750000 0.750000 0.750000 Cl\n0.250000 0.250000 0.250000 Cl\n0.750000 0.376130 0.123870 Cl\n0.123870 0.750000 0.376130 Cl\n0.376130 0.123870 0.750000 Cl\n0.250000 0.623870 0.876130 Cl\n0.876130 0.250000 0.623870 Cl\n0.623870 0.876130 0.250000 Cl\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Rb",
"Cl",
"O"
],
"chemical_system": "Cl-O-Rb",
"density": 2.879930621623614,
"density_atomic": 0.02844790425802597,
"volume": 773.3434350895345,
"volume_molar": 21.169013736050456,
"formula_full": "Rb12 Cl8 O2",
"formula_reduced": "Rb6Cl4O",
"formula_anonymous": "AB4C6",
"energy": -79.3774235,
"energy_per_atom": -3.608064704545455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.0914235,
"band_gap": 1.6658000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0015205,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:44.653000Z",
"spacegroup": 167
},
{
"id": "mp-684626",
"created_at": "2022-09-04T14:44:24.460241Z",
"structure_string": "As24 S26\n1.0\n8.184895 0.000000 0.000000\n0.446201 9.242365 0.000000\n0.232296 0.681589 23.234788\nAs S\n24 26\ndirect\n0.107995 0.708004 0.997406 As\n0.273771 0.399902 0.163337 As\n0.303378 0.380026 0.523765 As\n0.058167 0.259688 0.307337 As\n0.886475 0.285496 0.807944 As\n0.044918 0.757860 0.099817 As\n0.721814 0.295852 0.651709 As\n0.280786 0.580871 0.357623 As\n0.417409 0.411678 0.929186 As\n0.203935 0.841256 0.323602 As\n0.102627 0.493164 0.236679 As\n0.008669 0.822814 0.679796 As\n0.990543 0.551537 0.587800 As\n0.703022 0.916690 0.592597 As\n0.884006 0.775628 0.524774 As\n0.901647 0.004971 0.078499 As\n0.472831 0.487385 0.590913 As\n0.745942 0.471857 0.874176 As\n0.166793 0.303972 0.987325 As\n0.795474 0.276719 0.260762 As\n0.761735 0.567549 0.665240 As\n0.627680 0.025099 0.383901 As\n0.417365 0.487292 0.245077 As\n0.240067 0.978317 0.730309 As\n0.270491 0.133829 0.050778 S\n0.301398 0.504902 0.017292 S\n0.865195 0.012782 0.413595 S\n0.953141 0.407566 0.376683 S\n0.460250 0.852521 0.738117 S\n0.467920 0.492154 0.742909 S\n0.859598 0.031962 0.232152 S\n0.731346 0.013215 0.156550 S\n0.678320 0.343362 0.952035 S\n0.586284 0.095089 0.530832 S\n0.462038 0.008519 0.466069 S\n0.362878 0.562088 0.466205 S\n0.807833 0.153570 0.733009 S\n0.084407 0.129883 0.853159 S\n0.885546 0.629588 0.040376 S\n0.908181 0.611105 0.749232 S\n0.081162 0.935390 0.817270 S\n0.070885 0.438808 0.768357 S\n0.455367 0.764910 0.351463 S\n0.739024 0.467149 0.338515 S\n0.475133 0.727226 0.216034 S\n0.181255 0.664106 0.636545 S\n0.452941 0.348032 0.681963 S\n0.975743 0.958889 0.576000 S\n0.253494 0.830320 0.222495 S\n0.102119 0.142609 0.117093 S\n",
"nsites": 50,
"nelements": 2,
"elements": [
"As",
"S"
],
"chemical_system": "As-S",
"density": 2.4863852676504923,
"density_atomic": 0.028446907591289722,
"volume": 1757.6602953956833,
"volume_molar": 21.169755414271968,
"formula_full": "As24 S26",
"formula_reduced": "As12S13",
"formula_anonymous": "A12B13",
"energy": -225.3452284,
"energy_per_atom": -4.5069045679999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -212.2672284,
"band_gap": 0.4152000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023007,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.959000Z",
"spacegroup": 1
},
{
"id": "mp-1229055",
"created_at": "2022-09-04T14:43:15.925073Z",
"structure_string": "Ag1 Sb1 Te2\n1.0\n0.000000 0.000000 -3.115690\n-3.606813 -4.529149 0.000000\n-4.576871 6.765806 0.000000\nAg Sb Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Sb\n0.000000 0.500000 0.500000 Te\n0.000000 0.500000 0.000000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ag",
"Sb",
"Te"
],
"chemical_system": "Ag-Sb-Te",
"density": 5.725257131034621,
"density_atomic": 0.028445791183102982,
"volume": 140.61834224445937,
"volume_molar": 21.170586260849714,
"formula_full": "Ag1 Sb1 Te2",
"formula_reduced": "AgSbTe2",
"formula_anonymous": "ABC2",
"energy": -12.8661054,
"energy_per_atom": -3.21652635,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.0221054,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008945,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.010000Z",
"spacegroup": 10
},
{
"id": "mp-1110695",
"created_at": "2022-09-04T14:41:10.604744Z",
"structure_string": "Rb3 As1 Cl6\n1.0\n0.000000 5.601789 5.601789\n5.601789 0.000000 5.601789\n5.601789 5.601789 0.000000\nRb As Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 As\n0.776033 0.223967 0.223967 Cl\n0.223967 0.223967 0.776033 Cl\n0.223967 0.776033 0.776033 Cl\n0.223967 0.776033 0.223967 Cl\n0.776033 0.223967 0.776033 Cl\n0.776033 0.776033 0.223967 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"As",
"Cl"
],
"chemical_system": "As-Cl-Rb",
"density": 2.5696388476618015,
"density_atomic": 0.028443940733234876,
"volume": 351.5687257889571,
"volume_molar": 21.17196353514942,
"formula_full": "Rb3 As1 Cl6",
"formula_reduced": "Rb3AsCl6",
"formula_anonymous": "AB3C6",
"energy": -36.55544531,
"energy_per_atom": -3.6555445310000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.87144531,
"band_gap": 3.4887,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0013139,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.963000Z",
"spacegroup": 225
},
{
"id": "mp-1111728",
"created_at": "2022-09-04T14:39:46.758293Z",
"structure_string": "Cs2 Na1 Ta1 Br6\n1.0\n0.000000 5.601791 5.601791\n5.601791 0.000000 5.601791\n5.601791 5.601791 0.000000\nCs Na Ta Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ta\n0.764136 0.235864 0.235864 Br\n0.235864 0.235864 0.764136 Br\n0.235864 0.764136 0.764136 Br\n0.235864 0.764136 0.235864 Br\n0.764136 0.235864 0.764136 Br\n0.764136 0.764136 0.235864 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Na",
"Ta",
"Br"
],
"chemical_system": "Br-Cs-Na-Ta",
"density": 4.483153083704776,
"density_atomic": 0.028443910267338616,
"volume": 351.5691023495716,
"volume_molar": 21.17198621215967,
"formula_full": "Cs2 Na1 Ta1 Br6",
"formula_reduced": "Cs2NaTaBr6",
"formula_anonymous": "ABC2D6",
"energy": -41.02019657,
"energy_per_atom": -4.1020196570000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.81619657,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9986857,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.342000Z",
"spacegroup": 225
},
{
"id": "mp-27568",
"created_at": "2022-09-04T14:39:16.227007Z",
"structure_string": "Ba20 Al6 Ge14\n1.0\n4.939210 -8.554963 0.000000\n4.939210 8.554963 0.000000\n0.000000 0.000000 16.640679\nBa Al Ge\n20 6 14\ndirect\n0.260206 0.260206 0.603225 Ba\n0.739794 0.000000 0.603225 Ba\n0.000000 0.739794 0.603225 Ba\n0.000000 0.260206 0.103225 Ba\n0.739794 0.000000 0.896775 Ba\n0.739794 0.739794 0.103225 Ba\n0.260206 0.000000 0.103225 Ba\n0.739794 0.739794 0.396775 Ba\n0.000000 0.260206 0.396775 Ba\n0.000000 0.739794 0.896775 Ba\n0.260206 0.260206 0.896775 Ba\n0.260206 0.000000 0.396775 Ba\n0.333333 0.666667 0.500000 Ba\n0.666667 0.333333 0.000000 Ba\n0.666667 0.333333 0.500000 Ba\n0.333333 0.666667 0.000000 Ba\n0.333333 0.666667 0.750000 Ba\n0.666667 0.333333 0.250000 Ba\n0.666667 0.333333 0.750000 Ba\n0.333333 0.666667 0.250000 Ba\n0.000000 0.269580 0.750000 Al\n0.730420 0.000000 0.250000 Al\n0.269580 0.269580 0.250000 Al\n0.730420 0.730420 0.750000 Al\n0.269580 0.000000 0.750000 Al\n0.000000 0.730420 0.250000 Al\n0.000000 0.606056 0.117375 Ge\n0.000000 0.000000 0.250000 Ge\n0.393944 0.393944 0.117375 Ge\n0.000000 0.000000 0.750000 Ge\n0.606056 0.000000 0.117375 Ge\n0.000000 0.393944 0.617375 Ge\n0.606056 0.000000 0.382625 Ge\n0.606056 0.606056 0.617375 Ge\n0.393944 0.000000 0.617375 Ge\n0.606056 0.606056 0.882625 Ge\n0.000000 0.393944 0.882625 Ge\n0.000000 0.606056 0.382625 Ge\n0.393944 0.393944 0.382625 Ge\n0.393944 0.000000 0.882625 Ge\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Ge"
],
"chemical_system": "Al-Ba-Ge",
"density": 4.635057845002134,
"density_atomic": 0.028443518984856263,
"volume": 1406.2957548008237,
"volume_molar": 21.172277464002516,
"formula_full": "Ba20 Al6 Ge14",
"formula_reduced": "Ba10Al3Ge7",
"formula_anonymous": "A3B7C10",
"energy": -144.04668518,
"energy_per_atom": -3.6011671295,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -144.04668518,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.8198372,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:38.146000Z",
"spacegroup": 193
},
{
"id": "mp-1183305",
"created_at": "2022-09-04T14:39:12.395694Z",
"structure_string": "Ba1 Sr1 Hg2\n1.0\n0.000000 4.127551 4.127551\n4.127551 0.000000 4.127551\n4.127551 4.127551 0.000000\nBa Sr Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Hg"
],
"chemical_system": "Ba-Hg-Sr",
"density": 7.392718839983788,
"density_atomic": 0.02844151008908509,
"volume": 140.63950850257658,
"volume_molar": 21.173772915493323,
"formula_full": "Ba1 Sr1 Hg2",
"formula_reduced": "BaSrHg2",
"formula_anonymous": "ABC2",
"energy": -6.27717576,
"energy_per_atom": -1.56929394,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.27717576,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003046,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.193000Z",
"spacegroup": 225
}
]
}