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=1723",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=1721",
"results": [
{
"id": "mp-1206305",
"created_at": "2022-09-04T14:43:02.086178Z",
"structure_string": "Zn1 Br6\n1.0\n5.360610 -8.077178 0.000000\n5.360610 8.077178 0.000000\n0.000000 0.000000 47.410312\nZn Br\n1 6\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.249992 Br\n0.000000 0.000000 0.750008 Br\n0.257582 0.013876 0.000000 Br\n0.742418 0.986124 0.000000 Br\n0.013876 0.257582 0.000000 Br\n0.986124 0.742418 0.000000 Br\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Zn",
"Br"
],
"chemical_system": "Br-Zn",
"density": 0.22036155433919802,
"density_atomic": 0.0017049881507675694,
"volume": 4105.600380183679,
"volume_molar": 353.2071913396518,
"formula_full": "Zn1 Br6",
"formula_reduced": "ZnBr6",
"formula_anonymous": "AB6",
"energy": -12.22040737,
"energy_per_atom": -1.7457724814285716,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.01640737,
"band_gap": 0.2128999999999994,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.77316,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.932000Z",
"spacegroup": 65
},
{
"id": "mp-1237266",
"created_at": "2022-09-04T14:42:57.769836Z",
"structure_string": "Ba2 Si2\n1.0\n1.738366 -6.533592 0.000000\n1.738366 6.533592 0.000000\n0.000000 0.000000 5.834731\nBa Si\n2 2\ndirect\n0.377432 0.622568 0.250000 Ba\n0.622568 0.377432 0.750000 Ba\n0.112701 0.887299 0.250000 Si\n0.887299 0.112701 0.750000 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Si"
],
"chemical_system": "Ba-Si",
"density": 4.144797854697584,
"density_atomic": 0.03017977010366292,
"volume": 132.53911432262765,
"volume_molar": 19.954230066414897,
"formula_full": "Ba2 Si2",
"formula_reduced": "BaSi",
"formula_anonymous": "AB",
"energy": -14.18166464,
"energy_per_atom": -3.54541616,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.32366464,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004011,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08Z",
"spacegroup": 63
},
{
"id": "mp-1073410",
"created_at": "2022-09-04T14:42:57.730808Z",
"structure_string": "Mg4 Si8\n1.0\n1.805326 11.761188 0.000000\n-1.805326 11.761188 0.000000\n0.000000 1.193357 5.190277\nMg Si\n4 8\ndirect\n0.066572 0.066572 0.733545 Mg\n0.682743 0.682743 0.386113 Mg\n0.323606 0.323606 0.992866 Mg\n0.505899 0.505899 0.293570 Mg\n0.744664 0.744664 0.846064 Si\n0.639965 0.639965 0.933753 Si\n0.916658 0.916658 0.640970 Si\n0.915690 0.915690 0.143310 Si\n0.101221 0.101221 0.209573 Si\n0.260970 0.260970 0.551779 Si\n0.365184 0.365184 0.437535 Si\n0.470263 0.470263 0.831161 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.425203072597342,
"density_atomic": 0.05444448387027004,
"volume": 220.40800365733142,
"volume_molar": 11.061066855458705,
"formula_full": "Mg4 Si8",
"formula_reduced": "MgSi2",
"formula_anonymous": "AB2",
"energy": -47.491961280000005,
"energy_per_atom": -3.9576634400000006,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.05996128,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008709,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.724000Z",
"spacegroup": 8
},
{
"id": "mp-1226232",
"created_at": "2022-09-04T14:43:02.051850Z",
"structure_string": "Cr1 Ni1\n1.0\n4.209575 -1.244493 0.000000\n4.209575 1.244493 0.000000\n3.841661 0.000000 2.123894\nCr Ni\n1 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cr",
"Ni"
],
"chemical_system": "Cr-Ni",
"density": 8.259656373848346,
"density_atomic": 0.08987449275628726,
"volume": 22.253254941014262,
"volume_molar": 6.700611681147669,
"formula_full": "Cr1 Ni1",
"formula_reduced": "CrNi",
"formula_anonymous": "AB",
"energy": -15.12956743,
"energy_per_atom": -7.564783715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.12956743,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0050798,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.263000Z",
"spacegroup": 166
},
{
"id": "mp-1183304",
"created_at": "2022-09-04T14:43:01.933707Z",
"structure_string": "Ba3 Na1\n1.0\n6.208122 0.000000 0.000000\n0.000000 6.208122 0.000000\n0.000000 0.000000 6.208122\nBa Na\n3 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Na\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Na"
],
"chemical_system": "Ba-Na",
"density": 3.01875898886516,
"density_atomic": 0.01671780527950025,
"volume": 239.26585655982547,
"volume_molar": 36.02231668163096,
"formula_full": "Ba3 Na1",
"formula_reduced": "Ba3Na",
"formula_anonymous": "AB3",
"energy": -6.90147464,
"energy_per_atom": -1.72536866,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.90147464,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2346762,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.782000Z",
"spacegroup": 221
},
{
"id": "mp-1185953",
"created_at": "2022-09-04T14:42:54.460862Z",
"structure_string": "Mg2 S4\n1.0\n1.987242 -3.443675 0.000000\n1.987242 3.443675 0.000000\n0.000000 0.000000 9.133809\nMg S\n2 4\ndirect\n0.524767 0.475233 0.277634 Mg\n0.475233 0.524767 0.777634 Mg\n0.852978 0.147022 0.141684 S\n0.185524 0.814476 0.413939 S\n0.147022 0.852978 0.641684 S\n0.814476 0.185524 0.913939 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"S"
],
"chemical_system": "Mg-S",
"density": 2.349353868781681,
"density_atomic": 0.047995046184462535,
"volume": 125.01290189282875,
"volume_molar": 12.547421533578088,
"formula_full": "Mg2 S4",
"formula_reduced": "MgS2",
"formula_anonymous": "AB2",
"energy": -26.70767616,
"energy_per_atom": -4.45127936,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.695676160000005,
"band_gap": 1.0118,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.238000Z",
"spacegroup": 36
},
{
"id": "mp-1058151",
"created_at": "2022-09-04T14:42:58.032424Z",
"structure_string": "N1 Cl1\n1.0\n2.905411 0.000000 0.000000\n0.000000 2.905411 0.000000\n0.000000 0.000000 2.905411\nN Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"N",
"Cl"
],
"chemical_system": "Cl-N",
"density": 3.348712366119955,
"density_atomic": 0.08154686437845805,
"volume": 24.525774415040942,
"volume_molar": 7.384883288769161,
"formula_full": "N1 Cl1",
"formula_reduced": "NCl",
"formula_anonymous": "AB",
"energy": -4.75117089,
"energy_per_atom": -2.375585445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.13717089,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3367208,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:56.559000Z",
"spacegroup": 221
},
{
"id": "mp-977129",
"created_at": "2022-09-04T14:42:57.173718Z",
"structure_string": "Hg2 Pd6\n1.0\n2.873094 -4.976345 0.000000\n2.873094 4.976345 0.000000\n0.000000 0.000000 4.695790\nHg Pd\n2 6\ndirect\n0.333333 0.666667 0.750000 Hg\n0.666667 0.333333 0.250000 Hg\n0.164657 0.329315 0.250000 Pd\n0.670685 0.835343 0.250000 Pd\n0.164657 0.835343 0.250000 Pd\n0.835343 0.670685 0.750000 Pd\n0.329315 0.164657 0.750000 Pd\n0.835343 0.164657 0.750000 Pd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Hg",
"Pd"
],
"chemical_system": "Hg-Pd",
"density": 12.85754824147037,
"density_atomic": 0.05957869798240507,
"volume": 134.27618042882676,
"volume_molar": 10.1078757407194,
"formula_full": "Hg2 Pd6",
"formula_reduced": "HgPd3",
"formula_anonymous": "AB3",
"energy": -32.59272989,
"energy_per_atom": -4.07409123625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.59272989,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.9e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.680000Z",
"spacegroup": 194
},
{
"id": "mp-1018123",
"created_at": "2022-09-04T14:42:57.854156Z",
"structure_string": "Ti1 Au2\n1.0\n-1.733336 1.733336 4.310267\n1.733336 -1.733336 4.310267\n1.733336 1.733336 -4.310267\nTi Au\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.664180 0.664180 0.000000 Au\n0.335820 0.335820 0.000000 Au\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"Au"
],
"chemical_system": "Au-Ti",
"density": 14.162674235599946,
"density_atomic": 0.057915068700781544,
"volume": 51.79999035310677,
"volume_molar": 10.398227775768369,
"formula_full": "Ti1 Au2",
"formula_reduced": "TiAu2",
"formula_anonymous": "AB2",
"energy": -15.712672050000002,
"energy_per_atom": -5.23755735,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.712672050000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2135992,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:03.755000Z",
"spacegroup": 139
},
{
"id": "mp-1215401",
"created_at": "2022-09-04T14:43:02.350034Z",
"structure_string": "Zn1 Cu2\n1.0\n1.318768 -2.284173 0.000000\n1.318768 2.284173 0.000000\n0.000000 0.000000 6.260468\nZn Cu\n1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.333333 0.666667 0.663042 Cu\n0.666667 0.333333 0.336958 Cu\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Zn",
"Cu"
],
"chemical_system": "Cu-Zn",
"density": 8.475159839059959,
"density_atomic": 0.07954027074969355,
"volume": 37.71674362840358,
"volume_molar": 7.571184637969316,
"formula_full": "Zn1 Cu2",
"formula_reduced": "ZnCu2",
"formula_anonymous": "AB2",
"energy": -9.55682059,
"energy_per_atom": -3.185606863333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.55682059,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.102000Z",
"spacegroup": 164
},
{
"id": "mp-30581",
"created_at": "2022-09-04T14:42:57.696754Z",
"structure_string": "Hf2 Cu1\n1.0\n-1.585787 1.585787 5.596572\n1.585787 -1.585787 5.596572\n1.585787 1.585787 -5.596572\nHf Cu\n2 1\ndirect\n0.343531 0.343531 0.000000 Hf\n0.656469 0.656469 0.000000 Hf\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Hf",
"Cu"
],
"chemical_system": "Cu-Hf",
"density": 12.404239886769615,
"density_atomic": 0.053290459076072216,
"volume": 56.29525532361234,
"volume_molar": 11.300598389297761,
"formula_full": "Hf2 Cu1",
"formula_reduced": "Hf2Cu",
"formula_anonymous": "AB2",
"energy": -24.48693942,
"energy_per_atom": -8.16231314,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.48693942,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015177,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:57.333000Z",
"spacegroup": 139
},
{
"id": "mp-1244973",
"created_at": "2022-09-04T14:42:57.681183Z",
"structure_string": "Nb34 O68\n1.0\n11.303511 0.240323 -0.263659\n0.246509 11.238393 0.204749\n-0.259544 0.208329 11.589383\nNb O\n34 68\ndirect\n0.497841 0.700070 0.357365 Nb\n0.863598 0.080506 0.600472 Nb\n0.997121 0.659084 0.167593 Nb\n0.277534 0.727381 0.044059 Nb\n0.554176 0.651076 0.087023 Nb\n0.419155 0.166439 0.252915 Nb\n0.793366 0.606943 0.849678 Nb\n0.237292 0.417528 0.118816 Nb\n0.185929 0.969850 0.051146 Nb\n0.987209 0.193767 0.393131 Nb\n0.160597 0.130874 0.795004 Nb\n0.431221 0.883014 0.173337 Nb\n0.372264 0.463618 0.425387 Nb\n0.545817 0.398002 0.248914 Nb\n0.424623 0.034340 0.881474 Nb\n0.704236 0.326207 0.543756 Nb\n0.695212 0.858986 0.011440 Nb\n0.331690 0.924918 0.366770 Nb\n0.667921 0.148805 0.163408 Nb\n0.406630 0.243341 0.722261 Nb\n0.936423 0.299267 0.791063 Nb\n0.179922 0.678637 0.450871 Nb\n0.201315 0.844256 0.741492 Nb\n0.911819 0.984833 0.203646 Nb\n0.155574 0.425662 0.596037 Nb\n0.420100 0.787737 0.654846 Nb\n0.700786 0.370447 0.995400 Nb\n0.935317 0.876906 0.820872 Nb\n0.898149 0.380440 0.159170 Nb\n0.760346 0.754892 0.558568 Nb\n0.532604 0.053619 0.579156 Nb\n0.579605 0.488831 0.675927 Nb\n0.336071 0.548317 0.835660 Nb\n0.963590 0.503412 0.450588 Nb\n0.225115 0.269959 0.722740 O\n0.382742 0.140626 0.587689 O\n0.924293 0.610483 0.942435 O\n0.076949 0.590144 0.557514 O\n0.449897 0.053079 0.402833 O\n0.033532 0.810265 0.704898 O\n0.482576 0.544756 0.531745 O\n0.435907 0.207349 0.890449 O\n0.053617 0.618223 0.327021 O\n0.841477 0.211444 0.460169 O\n0.012699 0.405608 0.700206 O\n0.851468 0.393606 0.902022 O\n0.157567 0.622923 0.105424 O\n0.057707 0.232115 0.898106 O\n0.580433 0.585635 0.249907 O\n0.812267 0.923472 0.553015 O\n0.643525 0.752688 0.433013 O\n0.069759 0.407588 0.138064 O\n0.678209 0.205509 0.995998 O\n0.839114 0.002126 0.761251 O\n0.184775 0.845881 0.400259 O\n0.301793 0.263114 0.147944 O\n0.247242 0.835332 0.171795 O\n0.924420 0.814316 0.202901 O\n0.255571 0.089478 0.940487 O\n0.187646 0.007679 0.683617 O\n0.456755 0.650869 0.751193 O\n0.070909 0.325990 0.460991 O\n0.419374 0.634872 0.980924 O\n0.603276 0.815080 0.152586 O\n0.942508 0.224962 0.227189 O\n0.871998 0.672732 0.482514 O\n0.872092 0.555924 0.181010 O\n0.248647 0.744546 0.605619 O\n0.771916 0.075354 0.279849 O\n0.631379 0.376915 0.400992 O\n0.530489 0.098633 0.744909 O\n0.296870 0.034121 0.209758 O\n0.518705 0.055171 0.156045 O\n0.019560 0.031608 0.317460 O\n0.836371 0.437616 0.520750 O\n0.566704 0.890717 0.624409 O\n0.236631 0.716476 0.869658 O\n0.687399 0.676565 0.969793 O\n0.688367 0.622300 0.652410 O\n0.006777 0.069729 0.521983 O\n0.420714 0.814625 0.478311 O\n0.756807 0.997942 0.089215 O\n0.439919 0.421146 0.766038 O\n0.428301 0.303633 0.355736 O\n0.862682 0.840021 0.962451 O\n0.714446 0.323507 0.187783 O\n0.356874 0.899317 0.998847 O\n0.329229 0.640998 0.372836 O\n0.661396 0.480127 0.838781 O\n0.098564 0.936826 0.883835 O\n0.669687 0.137423 0.551806 O\n0.995430 0.142965 0.717928 O\n0.276024 0.451379 0.964051 O\n0.824434 0.749159 0.751971 O\n0.316811 0.367074 0.552925 O\n0.353956 0.473834 0.230660 O\n0.024879 0.011939 0.086905 O\n0.582738 0.934008 0.915095 O\n0.804050 0.245997 0.686028 O\n0.384736 0.908573 0.768502 O\n0.220623 0.519370 0.728480 O\n0.575416 0.467020 0.069110 O\n",
"nsites": 102,
"nelements": 2,
"elements": [
"Nb",
"O"
],
"chemical_system": "Nb-O",
"density": 4.796344252458282,
"density_atomic": 0.06937484954195462,
"volume": 1470.2734589473268,
"volume_molar": 8.680582083796944,
"formula_full": "Nb34 O68",
"formula_reduced": "NbO2",
"formula_anonymous": "AB2",
"energy": -948.97808158,
"energy_per_atom": -9.303706682156863,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -902.26208158,
"band_gap": 0.0487999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.280000Z",
"spacegroup": 1
}
]
}