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=volume_molar&page=11525",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume_molar&page=11523",
"results": [
{
"id": "mp-29481",
"created_at": "2022-09-04T14:46:27.157241Z",
"structure_string": "Rb2 W1 Br6\n1.0\n0.000000 5.398276 5.398276\n5.398276 0.000000 5.398276\n5.398276 5.398276 0.000000\nRb W Br\n2 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 W\n0.763075 0.236925 0.763075 Br\n0.236925 0.236925 0.763075 Br\n0.763075 0.763075 0.236925 Br\n0.236925 0.763075 0.236925 Br\n0.236925 0.763075 0.763075 Br\n0.763075 0.236925 0.236925 Br\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"W",
"Br"
],
"chemical_system": "Br-Rb-W",
"density": 4.402747950809197,
"density_atomic": 0.028605349498805187,
"volume": 314.62646524825436,
"volume_molar": 21.052498450513735,
"formula_full": "Rb2 W1 Br6",
"formula_reduced": "Rb2WBr6",
"formula_anonymous": "AB2C6",
"energy": -37.61901691,
"energy_per_atom": -4.179890767777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.41501691,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9986862,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:32.179000Z",
"spacegroup": 225
},
{
"id": "mp-1030325",
"created_at": "2022-09-04T14:44:18.640098Z",
"structure_string": "Te6 Mo3 W1 Se2\n1.0\n1.749634 -3.030455 0.000000\n1.749634 3.030455 0.000000\n0.000000 0.000000 39.559892\nTe Mo W Se\n6 3 1 2\ndirect\n0.333333 0.666667 0.328114 Te\n0.333333 0.666667 0.704126 Te\n0.666667 0.333333 0.047617 Te\n0.666667 0.333333 0.140229 Te\n0.333333 0.666667 0.235500 Te\n0.333333 0.666667 0.610926 Te\n0.333333 0.666667 0.093901 Mo\n0.333333 0.666667 0.469661 Mo\n0.666667 0.333333 0.281826 Mo\n0.666667 0.333333 0.657531 W\n0.666667 0.333333 0.428738 Se\n0.666667 0.333333 0.510577 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 5.522544161929647,
"density_atomic": 0.028604944143078025,
"volume": 419.507898354132,
"volume_molar": 21.052796781836296,
"formula_full": "Te6 Mo3 W1 Se2",
"formula_reduced": "Te6Mo3WSe2",
"formula_anonymous": "AB2C3D6",
"energy": -78.48319106,
"energy_per_atom": -6.540265921666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.00719106,
"band_gap": 0.0540000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0029327,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.933000Z",
"spacegroup": 156
},
{
"id": "mp-1185166",
"created_at": "2022-09-04T14:41:03.199402Z",
"structure_string": "La2 Sm6\n1.0\n3.667845 -6.352894 0.000000\n3.667845 6.352894 0.000000\n0.000000 0.000000 6.001300\nLa Sm\n2 6\ndirect\n0.333333 0.666667 0.750000 La\n0.666667 0.333333 0.250000 La\n0.834621 0.165379 0.750000 Sm\n0.330759 0.165379 0.750000 Sm\n0.834621 0.669241 0.750000 Sm\n0.165379 0.834621 0.250000 Sm\n0.165379 0.330759 0.250000 Sm\n0.669241 0.834621 0.250000 Sm\n",
"nsites": 8,
"nelements": 2,
"elements": [
"La",
"Sm"
],
"chemical_system": "La-Sm",
"density": 7.0058767486571165,
"density_atomic": 0.028604349149279475,
"volume": 279.67774964044287,
"volume_molar": 21.05323469718483,
"formula_full": "La2 Sm6",
"formula_reduced": "LaSm3",
"formula_anonymous": "AB3",
"energy": -37.91089717,
"energy_per_atom": -4.73886214625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.91089717,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0857183,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.803000Z",
"spacegroup": 194
},
{
"id": "mp-1030161",
"created_at": "2022-09-04T14:40:11.286827Z",
"structure_string": "Te6 Mo2 W2 Se2\n1.0\n1.748445 -3.028395 0.000000\n1.748445 3.028395 0.000000\n0.000000 0.000000 39.616479\nTe Mo W Se\n6 2 2 2\ndirect\n0.000000 0.000000 0.328060 Te\n0.000000 0.000000 0.704074 Te\n0.333333 0.666667 0.047664 Te\n0.333333 0.666667 0.140188 Te\n0.000000 0.000000 0.235540 Te\n0.000000 0.000000 0.610983 Te\n0.000000 0.000000 0.093903 Mo\n0.333333 0.666667 0.281823 Mo\n0.000000 0.000000 0.469662 W\n0.333333 0.666667 0.657533 W\n0.333333 0.666667 0.428678 Se\n0.333333 0.666667 0.510639 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 5.870070403982108,
"density_atomic": 0.028602953520597673,
"volume": 419.53709400529254,
"volume_molar": 21.05426195117687,
"formula_full": "Te6 Mo2 W2 Se2",
"formula_reduced": "Te3MoWSe",
"formula_anonymous": "ABCD3",
"energy": -80.24411334999999,
"energy_per_atom": -6.687009445833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.76811335,
"band_gap": 1.7683,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0160982,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.516000Z",
"spacegroup": 156
},
{
"id": "mp-1226055",
"created_at": "2022-09-04T14:46:08.169192Z",
"structure_string": "Cs4 W12 Br28\n1.0\n5.271534 -9.130564 0.000000\n5.271534 9.130564 0.000000\n0.000000 0.000000 15.980542\nCs W Br\n4 12 28\ndirect\n0.000000 0.000000 0.499517 Cs\n0.000000 0.000000 0.999517 Cs\n0.666667 0.333333 0.738847 Cs\n0.333333 0.666667 0.238847 Cs\n0.478231 0.665033 0.682290 W\n0.334967 0.813199 0.682290 W\n0.186801 0.521769 0.682290 W\n0.665033 0.478231 0.182290 W\n0.521769 0.186801 0.182290 W\n0.813199 0.334967 0.182290 W\n0.521285 0.334022 0.317739 W\n0.665978 0.187263 0.317739 W\n0.812737 0.478715 0.317739 W\n0.334022 0.521285 0.817739 W\n0.478715 0.812737 0.817739 W\n0.187263 0.665978 0.817739 W\n0.333333 0.666667 0.546827 Br\n0.666667 0.333333 0.046827 Br\n0.666667 0.333333 0.453219 Br\n0.333333 0.666667 0.953219 Br\n0.627812 0.954879 0.679782 Br\n0.045121 0.672933 0.679782 Br\n0.327067 0.372188 0.679782 Br\n0.954879 0.627812 0.179782 Br\n0.372188 0.327067 0.179782 Br\n0.672933 0.045121 0.179782 Br\n0.373208 0.043804 0.320066 Br\n0.956196 0.329404 0.320066 Br\n0.670596 0.626792 0.320066 Br\n0.043804 0.373208 0.820066 Br\n0.626792 0.670596 0.820066 Br\n0.329404 0.956196 0.820066 Br\n0.681914 0.655318 0.591863 Br\n0.344682 0.026596 0.591863 Br\n0.973404 0.318086 0.591863 Br\n0.655318 0.681914 0.091863 Br\n0.318086 0.973404 0.091863 Br\n0.026596 0.344682 0.091863 Br\n0.318423 0.344058 0.407699 Br\n0.655942 0.974365 0.407699 Br\n0.025635 0.681577 0.407699 Br\n0.344058 0.318423 0.907699 Br\n0.681577 0.025635 0.907699 Br\n0.974365 0.655942 0.907699 Br\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Cs",
"W",
"Br"
],
"chemical_system": "Br-Cs-W",
"density": 5.3701605570926,
"density_atomic": 0.02860201032159755,
"volume": 1538.3534061161895,
"volume_molar": 21.054956250584404,
"formula_full": "Cs4 W12 Br28",
"formula_reduced": "CsW3Br7",
"formula_anonymous": "AB3C7",
"energy": -252.42644619000004,
"energy_per_atom": -5.736964686136364,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -237.47444619,
"band_gap": 2.7127,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0561631,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:22.627000Z",
"spacegroup": 159
},
{
"id": "mp-1030194",
"created_at": "2022-09-04T14:40:38.844359Z",
"structure_string": "Te6 Mo3 W1 Se2\n1.0\n1.749268 -3.029821 0.000000\n1.749268 3.029821 0.000000\n0.000000 0.000000 39.580974\nTe Mo W Se\n6 3 1 2\ndirect\n0.333333 0.666667 0.328332 Te\n0.333333 0.666667 0.703829 Te\n0.666667 0.333333 0.423368 Te\n0.666667 0.333333 0.515940 Te\n0.333333 0.666667 0.235220 Te\n0.333333 0.666667 0.611243 Te\n0.333333 0.666667 0.093927 Mo\n0.333333 0.666667 0.469681 Mo\n0.666667 0.333333 0.657561 Mo\n0.666667 0.333333 0.281788 W\n0.666667 0.333333 0.053043 Se\n0.666667 0.333333 0.134816 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 5.521912796413665,
"density_atomic": 0.028601673879447898,
"volume": 419.55586412803467,
"volume_molar": 21.055203920520494,
"formula_full": "Te6 Mo3 W1 Se2",
"formula_reduced": "Te6Mo3WSe2",
"formula_anonymous": "AB2C3D6",
"energy": -78.4810653,
"energy_per_atom": -6.540088775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.0050653,
"band_gap": 1.7089,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0022058,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.482000Z",
"spacegroup": 156
},
{
"id": "mp-1113548",
"created_at": "2022-09-04T14:48:01.499527Z",
"structure_string": "Rb2 Hg1 Bi1 Cl6\n1.0\n0.000000 5.591474 5.591474\n5.591474 0.000000 5.591474\n5.591474 5.591474 0.000000\nRb Hg Bi Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Bi\n0.756779 0.243221 0.243221 Cl\n0.243221 0.243221 0.756779 Cl\n0.243221 0.756779 0.756779 Cl\n0.243221 0.756779 0.243221 Cl\n0.756779 0.243221 0.756779 Cl\n0.756779 0.756779 0.243221 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Hg",
"Bi",
"Cl"
],
"chemical_system": "Bi-Cl-Hg-Rb",
"density": 3.7673504226049124,
"density_atomic": 0.028601649149562532,
"volume": 349.63018907435804,
"volume_molar": 21.055222125511985,
"formula_full": "Rb2 Hg1 Bi1 Cl6",
"formula_reduced": "Rb2HgBiCl6",
"formula_anonymous": "ABC2D6",
"energy": -33.23093222,
"energy_per_atom": -3.323093222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.54693222,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013733,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.788000Z",
"spacegroup": 225
},
{
"id": "mp-675801",
"created_at": "2022-09-04T14:41:29.358361Z",
"structure_string": "K2 Nb2 Cl12\n1.0\n10.349246 0.000000 0.000000\n0.000000 7.339260 0.000000\n0.000000 0.004225 7.365008\nK Nb Cl\n2 2 12\ndirect\n0.718981 0.255625 0.315409 K\n0.218981 0.744375 0.684591 K\n0.995156 0.247442 0.762725 Nb\n0.495156 0.752558 0.237275 Nb\n0.497627 0.978771 0.476685 Cl\n0.764203 0.248110 0.752683 Cl\n0.995178 0.017860 0.986924 Cl\n0.995346 0.480660 0.983936 Cl\n0.495178 0.982140 0.013076 Cl\n0.725538 0.747528 0.251026 Cl\n0.264203 0.751890 0.247317 Cl\n0.492425 0.524174 0.477674 Cl\n0.997626 0.021229 0.523315 Cl\n0.992425 0.475826 0.522326 Cl\n0.225538 0.252472 0.748974 Cl\n0.495346 0.519340 0.016064 Cl\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"Nb",
"Cl"
],
"chemical_system": "Cl-K-Nb",
"density": 2.0465141144039203,
"density_atomic": 0.02860130019533661,
"volume": 559.4151276594331,
"volume_molar": 21.05547901274047,
"formula_full": "K2 Nb2 Cl12",
"formula_reduced": "KNbCl6",
"formula_anonymous": "ABC6",
"energy": -74.92771116,
"energy_per_atom": -4.6829819475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.55971116,
"band_gap": 2.0965000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001365,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.438000Z",
"spacegroup": 4
},
{
"id": "mp-1225436",
"created_at": "2022-09-04T14:45:26.378847Z",
"structure_string": "Er1 Te1\n1.0\n3.413150 0.000000 0.000000\n0.000000 3.413150 0.000000\n0.000000 0.000000 6.002580\nEr Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.000000 0.000000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Er",
"Te"
],
"chemical_system": "Er-Te",
"density": 7.001881863814181,
"density_atomic": 0.028601004672302307,
"volume": 69.92761348474005,
"volume_molar": 21.055696570798936,
"formula_full": "Er1 Te1",
"formula_reduced": "ErTe",
"formula_anonymous": "AB",
"energy": -8.21704189,
"energy_per_atom": -4.108520945,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.79504189,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.014559,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:07.332000Z",
"spacegroup": 123
},
{
"id": "mp-1223648",
"created_at": "2022-09-04T14:48:21.794713Z",
"structure_string": "K2 Br1 Cl1\n1.0\n7.676444 -2.310981 0.000000\n7.676444 2.310981 0.000000\n6.980727 0.000000 3.941812\nK Br Cl\n2 1 1\ndirect\n0.253643 0.253643 0.253643 K\n0.746357 0.746357 0.746357 K\n0.500000 0.500000 0.500000 Br\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-K",
"density": 2.298095048170723,
"density_atomic": 0.028600763539868426,
"volume": 139.8564060859475,
"volume_molar": 21.05587409093241,
"formula_full": "K2 Br1 Cl1",
"formula_reduced": "K2BrCl",
"formula_anonymous": "ABC2",
"energy": -14.26641607,
"energy_per_atom": -3.5666040175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.11841607,
"band_gap": 4.487,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0004868,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:28.386000Z",
"spacegroup": 166
},
{
"id": "mp-974066",
"created_at": "2022-09-04T14:43:36.965407Z",
"structure_string": "Nd3 Sm1\n1.0\n5.190780 0.000000 0.000000\n0.000000 5.190780 0.000000\n0.000000 0.000000 5.190780\nNd Sm\n3 1\ndirect\n0.000000 0.500000 0.500000 Nd\n0.500000 0.000000 0.500000 Nd\n0.500000 0.500000 0.000000 Nd\n0.000000 0.000000 0.000000 Sm\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nd",
"Sm"
],
"chemical_system": "Nd-Sm",
"density": 6.922832815025823,
"density_atomic": 0.028599742531592125,
"volume": 139.8613989472626,
"volume_molar": 21.056625783773278,
"formula_full": "Nd3 Sm1",
"formula_reduced": "Nd3Sm",
"formula_anonymous": "AB3",
"energy": -18.98262661,
"energy_per_atom": -4.7456566525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.98262661,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.77e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.815000Z",
"spacegroup": 221
},
{
"id": "mp-1030447",
"created_at": "2022-09-04T14:42:01.214420Z",
"structure_string": "Te6 Mo4 Se2\n1.0\n1.749771 -3.030692 0.000000\n1.749771 3.030692 0.000000\n0.000000 0.000000 39.562143\nTe Mo Se\n6 4 2\ndirect\n0.333333 0.666667 0.703837 Te\n0.666667 0.333333 0.047627 Te\n0.666667 0.333333 0.423343 Te\n0.666667 0.333333 0.140244 Te\n0.666667 0.333333 0.515953 Te\n0.333333 0.666667 0.611226 Te\n0.333333 0.666667 0.093929 Mo\n0.333333 0.666667 0.469639 Mo\n0.666667 0.333333 0.281800 Mo\n0.666667 0.333333 0.657557 Mo\n0.333333 0.666667 0.322709 Se\n0.333333 0.666667 0.240884 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Te",
"Mo",
"Se"
],
"chemical_system": "Mo-Se-Te",
"density": 5.173505240796271,
"density_atomic": 0.028598840456617904,
"volume": 419.5974315183518,
"volume_molar": 21.057289959483125,
"formula_full": "Te6 Mo4 Se2",
"formula_reduced": "Te3Mo2Se",
"formula_anonymous": "AB2C3",
"energy": -76.96119901,
"energy_per_atom": -6.413433250833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.48519901,
"band_gap": 0.4649999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0038252,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.400000Z",
"spacegroup": 156
}
]
}