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=17",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density_atomic&page=15",
"results": [
{
"id": "mp-1104418",
"created_at": "2022-09-04T14:40:33.920810Z",
"structure_string": "H12 W2\n1.0\n1.508090 5.814264 0.000000\n-1.508090 5.814264 0.000000\n0.000000 3.931318 5.890148\nH W\n12 2\ndirect\n0.462911 0.462911 0.017090 H\n0.537089 0.537089 0.982910 H\n0.446153 0.446153 0.664788 H\n0.553847 0.553847 0.335212 H\n0.809279 0.809279 0.700556 H\n0.190721 0.190721 0.299444 H\n0.038625 0.038625 0.631514 H\n0.961375 0.961375 0.368486 H\n0.257069 0.257069 0.805864 H\n0.742931 0.742931 0.194136 H\n0.832825 0.832825 0.343835 H\n0.167175 0.167175 0.656165 H\n0.647248 0.647248 0.479399 W\n0.352752 0.352752 0.520601 W\n",
"nsites": 14,
"nelements": 2,
"elements": [
"H",
"W"
],
"chemical_system": "H-W",
"density": 6.1051674434599175,
"density_atomic": 0.13553448978782082,
"volume": 103.29474085833793,
"volume_molar": 4.443253351547387,
"formula_full": "H12 W2",
"formula_reduced": "H6W",
"formula_anonymous": "AB6",
"energy": -65.72272495,
"energy_per_atom": -4.694480353571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.57472494999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014093,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.301000Z",
"spacegroup": 12
},
{
"id": "mp-14232",
"created_at": "2022-09-04T14:45:37.089245Z",
"structure_string": "Li2 B2 O4\n1.0\n-2.116413 2.116413 3.296896\n2.116413 -2.116413 3.296896\n2.116413 2.116413 -3.296896\nLi B O\n2 2 4\ndirect\n0.250000 0.750000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.750000 0.250000 0.500000 B\n0.000000 0.000000 0.000000 B\n0.719075 0.625000 0.594075 O\n0.375000 0.969075 0.094075 O\n0.875000 0.280925 0.905925 O\n0.030925 0.125000 0.405925 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"B",
"O"
],
"chemical_system": "B-Li-O",
"density": 2.797132773471056,
"density_atomic": 0.13543281548898167,
"volume": 59.069878826013564,
"volume_molar": 4.4465890620799655,
"formula_full": "Li2 B2 O4",
"formula_reduced": "LiBO2",
"formula_anonymous": "ABC2",
"energy": -58.81197313,
"energy_per_atom": -7.35149664125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.06397313,
"band_gap": 7.1831,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.49e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:04.656000Z",
"spacegroup": 122
},
{
"id": "mp-1346",
"created_at": "2022-09-04T14:45:40.131870Z",
"structure_string": "B12 O2\n1.0\n4.391569 -2.696759 0.000000\n4.391569 2.696759 0.000000\n2.735553 0.000000 4.367510\nB O\n12 2\ndirect\n0.323721 0.798829 0.798829 B\n0.798829 0.798829 0.323721 B\n0.798829 0.323721 0.798829 B\n0.201171 0.676279 0.201171 B\n0.676279 0.201171 0.201171 B\n0.201171 0.201171 0.676279 B\n0.666837 0.997697 0.997697 B\n0.997697 0.997697 0.666837 B\n0.997697 0.666837 0.997697 B\n0.002303 0.333163 0.002303 B\n0.333163 0.002303 0.002303 B\n0.002303 0.002303 0.333163 B\n0.377733 0.377733 0.377733 O\n0.622267 0.622267 0.622267 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"B",
"O"
],
"chemical_system": "B-O",
"density": 2.5960681020138114,
"density_atomic": 0.13533255603500588,
"volume": 103.44887002931269,
"volume_molar": 4.449883262710474,
"formula_full": "B12 O2",
"formula_reduced": "B6O",
"formula_anonymous": "AB6",
"energy": -101.32243973,
"energy_per_atom": -7.237317123571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -99.94843973,
"band_gap": 1.8564,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 5.89e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:05.687000Z",
"spacegroup": 166
},
{
"id": "mp-1078278",
"created_at": "2022-09-04T14:39:58.684138Z",
"structure_string": "Cr2 B8\n1.0\n2.853707 0.000000 0.000000\n0.000000 4.726743 0.000000\n0.000000 0.000000 5.479876\nCr B\n2 8\ndirect\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.500000 0.665043 0.866475 B\n0.500000 0.334957 0.133525 B\n0.000000 0.165043 0.633525 B\n0.000000 0.834957 0.366475 B\n0.500000 0.723358 0.178348 B\n0.500000 0.276642 0.821652 B\n0.000000 0.223358 0.321652 B\n0.000000 0.776642 0.678348 B\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Cr",
"B"
],
"chemical_system": "B-Cr",
"density": 4.279143338872887,
"density_atomic": 0.13528757071766162,
"volume": 73.91662032922078,
"volume_molar": 4.4513629212604515,
"formula_full": "Cr2 B8",
"formula_reduced": "CrB4",
"formula_anonymous": "AB4",
"energy": -75.83150834,
"energy_per_atom": -7.583150834,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.83150834,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.56e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:04.721000Z",
"spacegroup": 58
},
{
"id": "mp-1105785",
"created_at": "2022-09-04T14:47:12.552920Z",
"structure_string": "Li4 H8 N4\n1.0\n3.661257 0.000000 0.000000\n0.000000 3.757186 0.000000\n0.000000 0.067966 8.598198\nLi H N\n4 8 4\ndirect\n0.754616 0.247111 0.493317 Li\n0.254616 0.752889 0.006683 Li\n0.245384 0.752889 0.506683 Li\n0.745384 0.247111 0.993317 Li\n0.394883 0.119210 0.207576 H\n0.894883 0.880790 0.292424 H\n0.605117 0.880790 0.792424 H\n0.105117 0.119210 0.707576 H\n0.570395 0.609414 0.305384 H\n0.070395 0.390586 0.194616 H\n0.429605 0.390586 0.694616 H\n0.929605 0.609414 0.805384 H\n0.756132 0.750029 0.877496 N\n0.256132 0.249971 0.622504 N\n0.243868 0.249971 0.122504 N\n0.743868 0.750029 0.377496 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"H",
"N"
],
"chemical_system": "H-Li-N",
"density": 1.289580126273624,
"density_atomic": 0.13527565030194966,
"volume": 118.27701411367306,
"volume_molar": 4.4517551729065366,
"formula_full": "Li4 H8 N4",
"formula_reduced": "LiH2N",
"formula_anonymous": "ABC2",
"energy": -77.01173832,
"energy_per_atom": -4.813233645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.56773832,
"band_gap": 3.2683,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.835000Z",
"spacegroup": 14
},
{
"id": "mp-1101820",
"created_at": "2022-09-04T14:39:42.527695Z",
"structure_string": "Mg1 Ti3 H8\n1.0\n4.460475 0.000000 0.000000\n0.000000 4.460475 0.000000\n0.000000 0.000000 4.460475\nMg Ti H\n1 3 8\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.254138 0.254138 0.745862 H\n0.254138 0.745862 0.254138 H\n0.745862 0.254138 0.254138 H\n0.745862 0.745862 0.745862 H\n0.745862 0.745862 0.254138 H\n0.745862 0.254138 0.745862 H\n0.254138 0.745862 0.745862 H\n0.254138 0.254138 0.254138 H\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"H"
],
"chemical_system": "H-Mg-Ti",
"density": 3.292632177910052,
"density_atomic": 0.13521906148154794,
"volume": 88.74488454896965,
"volume_molar": 4.453618220698703,
"formula_full": "Mg1 Ti3 H8",
"formula_reduced": "MgTi3H8",
"formula_anonymous": "AB3C8",
"energy": -58.46830912,
"energy_per_atom": -4.872359093333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.03630912,
"band_gap": 0.1596000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001812,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.162000Z",
"spacegroup": 221
},
{
"id": "mp-24669",
"created_at": "2022-09-04T14:42:08.075303Z",
"structure_string": "Cr2 H2\n1.0\n1.379005 -2.388507 0.000000\n1.379005 2.388507 0.000000\n0.000000 0.000000 4.501096\nCr H\n2 2\ndirect\n0.666667 0.333333 0.500866 Cr\n0.333333 0.666667 0.000866 Cr\n0.666667 0.333333 0.874134 H\n0.333333 0.666667 0.374134 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cr",
"H"
],
"chemical_system": "Cr-H",
"density": 5.936731882174295,
"density_atomic": 0.1349023020176893,
"volume": 29.651087788520417,
"volume_molar": 4.464075608739677,
"formula_full": "Cr2 H2",
"formula_reduced": "CrH",
"formula_anonymous": "AB",
"energy": -25.65981715,
"energy_per_atom": -6.4149542875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.30181715,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0059644,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:32.710000Z",
"spacegroup": 186
},
{
"id": "mp-977343",
"created_at": "2022-09-04T14:39:09.907632Z",
"structure_string": "H6 Pt2\n1.0\n1.808727 -3.132807 0.000000\n1.808727 3.132807 0.000000\n0.000000 0.000000 5.233358\nH Pt\n6 2\ndirect\n0.160336 0.320672 0.250000 H\n0.679328 0.839664 0.250000 H\n0.160336 0.839664 0.250000 H\n0.839664 0.679328 0.750000 H\n0.320672 0.160336 0.750000 H\n0.839664 0.160336 0.750000 H\n0.333333 0.666667 0.750000 Pt\n0.666667 0.333333 0.250000 Pt\n",
"nsites": 8,
"nelements": 2,
"elements": [
"H",
"Pt"
],
"chemical_system": "H-Pt",
"density": 11.093372842055546,
"density_atomic": 0.13488786617531084,
"volume": 59.308522158713465,
"volume_molar": 4.464553358841895,
"formula_full": "H6 Pt2",
"formula_reduced": "H3Pt",
"formula_anonymous": "AB3",
"energy": -28.48299627,
"energy_per_atom": -3.56037453375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.48299627,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002751,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.302000Z",
"spacegroup": 194
},
{
"id": "mp-696746",
"created_at": "2022-09-04T14:45:36.739644Z",
"structure_string": "B12 C3\n1.0\n4.348522 -2.822950 0.000000\n4.348522 2.822950 0.000000\n2.515934 0.000000 4.533075\nB C\n12 3\ndirect\n0.806472 0.308610 0.806472 B\n0.806472 0.806472 0.308610 B\n0.308610 0.806472 0.806472 B\n0.193528 0.691390 0.193528 B\n0.193528 0.193528 0.691390 B\n0.691390 0.193528 0.193528 B\n0.993830 0.670427 0.993830 B\n0.993830 0.993830 0.670427 B\n0.670427 0.993830 0.993830 B\n0.006170 0.329573 0.006170 B\n0.006170 0.006170 0.329573 B\n0.329573 0.006170 0.006170 B\n0.610189 0.610189 0.610189 C\n0.389811 0.389811 0.389811 C\n0.500000 0.500000 0.500000 C\n",
"nsites": 15,
"nelements": 2,
"elements": [
"B",
"C"
],
"chemical_system": "B-C",
"density": 2.4732716515211286,
"density_atomic": 0.1347793945883797,
"volume": 111.2929765400004,
"volume_molar": 4.468146468821734,
"formula_full": "B12 C3",
"formula_reduced": "B4C",
"formula_anonymous": "AB4",
"energy": -108.27382003,
"energy_per_atom": -7.218254668666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -108.27382003,
"band_gap": 1.5149,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000589,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:09.957000Z",
"spacegroup": 166
},
{
"id": "mp-972822",
"created_at": "2022-09-04T14:47:43.293226Z",
"structure_string": "Si1 B1 O3\n1.0\n3.336259 0.000000 0.000000\n0.000000 3.336259 0.000000\n0.000000 0.000000 3.336259\nSi B O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 B\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Si",
"B",
"O"
],
"chemical_system": "B-O-Si",
"density": 3.885644914566695,
"density_atomic": 0.13464515457781268,
"volume": 37.13464487955602,
"volume_molar": 4.4726011707459925,
"formula_full": "Si1 B1 O3",
"formula_reduced": "SiBO3",
"formula_anonymous": "ABC3",
"energy": -31.89291699,
"energy_per_atom": -6.378583398,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.83191699,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001585,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.533000Z",
"spacegroup": 221
},
{
"id": "mp-1078877",
"created_at": "2022-09-04T14:43:02.970678Z",
"structure_string": "Mg1 Si1 H2 O4\n1.0\n2.859608 0.000000 0.000000\n0.000000 4.335054 0.000000\n0.000000 0.279885 4.792977\nMg Si H O\n1 1 2 4\ndirect\n0.500000 0.500358 0.524613 Mg\n0.000000 0.000984 0.997531 Si\n0.000000 0.978517 0.483092 H\n0.500000 0.465354 0.028542 H\n0.000000 0.223706 0.690908 O\n0.500000 0.248094 0.140577 O\n0.000000 0.802593 0.341354 O\n0.500000 0.771894 0.893584 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Mg",
"Si",
"H",
"O"
],
"chemical_system": "H-Mg-O-Si",
"density": 3.309093498683958,
"density_atomic": 0.1346429526707619,
"volume": 59.41640346793451,
"volume_molar": 4.472674314210671,
"formula_full": "Mg1 Si1 H2 O4",
"formula_reduced": "MgSi(HO2)2",
"formula_anonymous": "ABC2D4",
"energy": -52.5054939,
"energy_per_atom": -6.5631867375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.7574939,
"band_gap": 5.1542,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.55e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.740000Z",
"spacegroup": 6
},
{
"id": "mp-32715",
"created_at": "2022-09-04T14:46:19.312735Z",
"structure_string": "B72 O10\n1.0\n7.410532 0.000000 0.000000\n0.265197 7.405607 0.000000\n3.298593 0.420197 11.105835\nB O\n72 10\ndirect\n0.614015 0.938591 0.373894 B\n0.669360 0.167480 0.331405 B\n0.215452 0.165263 0.556229 B\n0.285874 0.283916 0.285897 B\n0.459850 0.433506 0.198147 B\n0.540150 0.566494 0.801853 B\n0.111751 0.434966 0.372361 B\n0.387763 0.664028 0.220660 B\n0.220813 0.496426 0.220077 B\n0.461042 0.799621 0.958887 B\n0.639757 0.930608 0.859200 B\n0.167190 0.664667 0.331188 B\n0.330640 0.832520 0.668595 B\n0.278981 0.940535 0.041148 B\n0.557408 0.165493 0.885712 B\n0.391724 0.999735 0.885719 B\n0.723494 0.675111 0.557077 B\n0.274819 0.997906 0.779172 B\n0.625310 0.301846 0.626387 B\n0.385985 0.061409 0.626106 B\n0.332868 0.167875 0.998545 B\n0.795917 0.799366 0.291819 B\n0.967149 0.941377 0.197976 B\n0.498258 0.325411 0.332570 B\n0.032851 0.058623 0.802024 B\n0.204083 0.200634 0.708181 B\n0.445182 0.442333 0.708075 B\n0.555356 0.505810 0.555378 B\n0.725181 0.002094 0.220828 B\n0.893302 0.169517 0.220270 B\n0.444644 0.494190 0.444622 B\n0.276506 0.324889 0.442923 B\n0.554818 0.557667 0.291925 B\n0.501742 0.674589 0.667430 B\n0.958795 0.298482 0.958979 B\n0.128338 0.438813 0.865663 B\n0.204968 0.557664 0.466568 B\n0.374690 0.698154 0.373613 B\n0.832810 0.335333 0.668812 B\n0.778036 0.438250 0.041032 B\n0.053872 0.667086 0.889197 B\n0.888259 0.501515 0.889208 B\n0.608276 0.000265 0.114281 B\n0.442592 0.834507 0.114288 B\n0.779187 0.503574 0.779923 B\n0.121505 0.796954 0.627341 B\n0.888249 0.565034 0.627639 B\n0.292089 0.937168 0.533356 B\n0.832394 0.667471 0.000278 B\n0.360243 0.069392 0.140800 B\n0.538958 0.200379 0.041113 B\n0.008468 0.835544 0.331827 B\n0.714126 0.716084 0.714103 B\n0.927156 0.928462 0.714090 B\n0.047617 0.998481 0.557949 B\n0.612237 0.335972 0.779340 B\n0.952383 0.001519 0.442051 B\n0.784548 0.834737 0.443771 B\n0.072844 0.071538 0.285910 B\n0.991532 0.164456 0.668173 B\n0.167606 0.332529 0.999722 B\n0.707911 0.062832 0.466644 B\n0.878495 0.203046 0.372659 B\n0.111741 0.498485 0.110792 B\n0.946128 0.332914 0.110803 B\n0.221964 0.561750 0.958968 B\n0.795032 0.442336 0.533432 B\n0.871662 0.561187 0.134337 B\n0.041205 0.701518 0.041021 B\n0.106698 0.830483 0.779730 B\n0.667132 0.832125 0.001455 B\n0.721019 0.059465 0.958852 B\n0.580879 0.377520 0.079785 O\n0.419121 0.622480 0.920215 O\n0.585422 0.123067 0.585775 O\n0.082396 0.879491 0.079603 O\n0.247004 0.379478 0.747202 O\n0.917604 0.120509 0.920397 O\n0.414578 0.876933 0.414225 O\n0.086452 0.619575 0.585245 O\n0.913548 0.380425 0.414755 O\n0.752996 0.620522 0.252798 O\n",
"nsites": 82,
"nelements": 2,
"elements": [
"B",
"O"
],
"chemical_system": "B-O",
"density": 2.5566386626147395,
"density_atomic": 0.13454036059059626,
"volume": 609.4825347579113,
"volume_molar": 4.4760848964313835,
"formula_full": "B72 O10",
"formula_reduced": "B36O5",
"formula_anonymous": "A5B36",
"energy": -585.41310602,
"energy_per_atom": -7.139184219756097,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -578.54310602,
"band_gap": 2.341600000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0037281,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:26.986000Z",
"spacegroup": 2
}
]
}