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=is_magnetic&page=24",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=22",
"results": [
{
"id": "mp-1172825",
"created_at": "2022-09-04T14:39:07.664153Z",
"structure_string": "Zr2 Br2 N2\n1.0\n1.748235 -3.028032 0.000000\n1.748235 3.028032 0.000000\n0.000000 0.000000 13.873535\nZr Br N\n2 2 2\ndirect\n0.000000 0.000000 0.836203 Zr\n0.000000 0.000000 0.163797 Zr\n0.666667 0.333333 0.310589 Br\n0.333333 0.666667 0.689411 Br\n0.666667 0.333333 0.879084 N\n0.333333 0.666667 0.120916 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Br",
"N"
],
"chemical_system": "Br-N-Zr",
"density": 4.185906457375889,
"density_atomic": 0.04084828706323872,
"volume": 146.8849842029161,
"volume_molar": 14.742700840005616,
"formula_full": "Zr2 Br2 N2",
"formula_reduced": "ZrBrN",
"formula_anonymous": "ABC",
"energy": -46.92258034,
"energy_per_atom": -7.820430056666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.13258034,
"band_gap": 2.784,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015311,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.514000Z",
"spacegroup": 164
},
{
"id": "mp-30893",
"created_at": "2022-09-04T14:39:06.856592Z",
"structure_string": "Sr8 Bi6\n1.0\n-5.112441 5.112441 5.112441\n5.112441 -5.112441 5.112441\n5.112441 5.112441 -5.112441\nSr Bi\n8 6\ndirect\n0.500000 0.000000 0.645601 Sr\n0.145601 0.500000 0.000000 Sr\n0.354399 0.354399 0.354399 Sr\n0.000000 0.145601 0.500000 Sr\n0.854399 0.854399 0.854399 Sr\n0.000000 0.645601 0.500000 Sr\n0.500000 0.000000 0.145601 Sr\n0.645601 0.500000 0.000000 Sr\n0.875000 0.250000 0.125000 Bi\n0.125000 0.875000 0.250000 Bi\n0.375000 0.625000 0.750000 Bi\n0.250000 0.125000 0.875000 Bi\n0.750000 0.375000 0.625000 Bi\n0.625000 0.750000 0.375000 Bi\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Sr",
"Bi"
],
"chemical_system": "Bi-Sr",
"density": 6.073176866625354,
"density_atomic": 0.0261928717882146,
"volume": 534.4965650654334,
"volume_molar": 22.991525361146703,
"formula_full": "Sr8 Bi6",
"formula_reduced": "Sr4Bi3",
"formula_anonymous": "A3B4",
"energy": -49.1369135,
"energy_per_atom": -3.509779535714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.1369135,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0552367,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:30.544000Z",
"spacegroup": 220
},
{
"id": "mp-1215215",
"created_at": "2022-09-04T14:39:06.502108Z",
"structure_string": "Zr1 Se1 S1\n1.0\n-1.874490 -3.246704 0.000181\n-1.874483 3.246700 0.000000\n0.000289 0.000167 -6.282866\nZr Se S\n1 1 1\ndirect\n0.999999 0.999999 0.013137 Zr\n0.666619 0.333310 0.751218 Se\n0.333382 0.666691 0.235645 S\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"Se",
"S"
],
"chemical_system": "S-Se-Zr",
"density": 4.391601687294865,
"density_atomic": 0.039229133689485704,
"volume": 76.47377644753007,
"volume_molar": 15.35119487385996,
"formula_full": "Zr1 Se1 S1",
"formula_reduced": "ZrSeS",
"formula_anonymous": "ABC",
"energy": -21.414199850000003,
"energy_per_atom": -7.138066616666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.43919985,
"band_gap": 0.5579999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009475,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.323000Z",
"spacegroup": 156
},
{
"id": "mp-753044",
"created_at": "2022-09-04T14:39:06.333698Z",
"structure_string": "Li4 Nb1 Te2 W1 O12\n1.0\n5.249592 0.000000 0.000000\n-0.030611 5.701460 0.000000\n-0.018542 -0.948076 7.834116\nLi Nb Te W O\n4 1 2 1 12\ndirect\n0.999432 0.424774 0.296002 Li\n0.500737 0.906621 0.788300 Li\n0.004446 0.430279 0.780638 Li\n0.492598 0.926683 0.292374 Li\n0.500546 0.491165 0.512240 Nb\n0.011333 0.990624 0.516041 Te\n0.499330 0.462825 0.018995 Te\n0.998459 0.989642 0.009186 W\n0.305781 0.198309 0.429270 O\n0.137694 0.042109 0.751245 O\n0.310127 0.876516 0.061211 O\n0.203369 0.705905 0.419033 O\n0.848508 0.718875 0.906570 O\n0.355213 0.537050 0.724971 O\n0.626364 0.491517 0.249424 O\n0.156506 0.328518 0.056174 O\n0.816339 0.326236 0.555285 O\n0.692596 0.181241 0.925834 O\n0.855608 0.007778 0.225870 O\n0.685013 0.820932 0.552536 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Li",
"Nb",
"Te",
"W",
"O"
],
"chemical_system": "Li-Nb-O-Te-W",
"density": 5.323458270873144,
"density_atomic": 0.08529594100762765,
"volume": 234.47774611234416,
"volume_molar": 7.060289960880397,
"formula_full": "Li4 Nb1 Te2 W1 O12",
"formula_reduced": "Li4NbTe2WO12",
"formula_anonymous": "ABC2D4E12",
"energy": -139.39309206,
"energy_per_atom": -6.9696546029999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -126.71109206,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.4088798,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.233000Z",
"spacegroup": 1
},
{
"id": "mp-1030470",
"created_at": "2022-09-04T14:39:06.868703Z",
"structure_string": "Te4 Mo3 W1 Se2 S2\n1.0\n1.699898 -2.944309 0.000000\n1.699898 2.944309 0.000000\n0.000000 0.000000 38.665546\nTe Mo W Se S\n4 3 1 2 2\ndirect\n0.333333 0.666667 0.706226 Te\n0.666667 0.333333 0.045503 Te\n0.666667 0.333333 0.142371 Te\n0.333333 0.666667 0.608843 Te\n0.333333 0.666667 0.093901 Mo\n0.333333 0.666667 0.469657 Mo\n0.666667 0.333333 0.281786 Mo\n0.666667 0.333333 0.657578 W\n0.666667 0.333333 0.427014 Se\n0.666667 0.333333 0.512282 Se\n0.333333 0.666667 0.320654 S\n0.333333 0.666667 0.242933 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.16600554847476,
"density_atomic": 0.031004223126399184,
"volume": 387.04404722795175,
"volume_molar": 19.423614439390114,
"formula_full": "Te4 Mo3 W1 Se2 S2",
"formula_reduced": "Te4Mo3W(SeS)2",
"formula_anonymous": "AB2C2D3E4",
"energy": -81.97167838,
"energy_per_atom": -6.830973198333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.33367838,
"band_gap": 1.2378999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0137198,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.810000Z",
"spacegroup": 156
},
{
"id": "mp-1041556",
"created_at": "2022-09-04T14:39:06.884780Z",
"structure_string": "Ca2 Sn4 O8\n1.0\n-3.177856 3.782416 4.640921\n3.177856 -3.782416 4.640921\n3.177856 3.782416 -4.640921\nCa Sn O\n2 4 8\ndirect\n0.500000 0.500000 0.000000 Ca\n0.000000 0.500000 0.500000 Ca\n0.623488 0.873488 0.750000 Sn\n0.376512 0.126512 0.250000 Sn\n0.000000 0.000000 0.500000 Sn\n0.000000 0.500000 0.000000 Sn\n0.229956 0.237967 0.508011 O\n0.185947 0.251887 0.934060 O\n0.229956 0.721945 0.991989 O\n0.817828 0.251887 0.565940 O\n0.182172 0.748113 0.434060 O\n0.814053 0.748113 0.065940 O\n0.770044 0.278055 0.008011 O\n0.770044 0.762033 0.491989 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"O"
],
"chemical_system": "Ca-O-Sn",
"density": 5.082724060295911,
"density_atomic": 0.0627422895701817,
"volume": 223.134987516514,
"volume_molar": 9.598216452180644,
"formula_full": "Ca2 Sn4 O8",
"formula_reduced": "Ca(SnO2)2",
"formula_anonymous": "AB2C4",
"energy": -91.98441856,
"energy_per_atom": -6.570315611428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.48841856,
"band_gap": 1.6598999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.885000Z",
"spacegroup": 74
},
{
"id": "mp-1224067",
"created_at": "2022-09-04T14:39:06.888094Z",
"structure_string": "Hf1 Zr1 W4\n1.0\n0.000000 3.826465 3.826465\n3.826465 0.000000 3.826465\n3.826465 3.826465 0.000000\nHf Zr W\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Zr\n0.624984 0.624984 0.125048 W\n0.624984 0.125048 0.624984 W\n0.125048 0.624984 0.624984 W\n0.624984 0.624984 0.624984 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Hf",
"Zr",
"W"
],
"chemical_system": "Hf-W-Zr",
"density": 14.894430575145387,
"density_atomic": 0.05354612147637114,
"volume": 112.05293370590218,
"volume_molar": 11.246642322464856,
"formula_full": "Hf1 Zr1 W4",
"formula_reduced": "HfZrW4",
"formula_anonymous": "ABC4",
"energy": -71.291099,
"energy_per_atom": -11.881849833333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.291099,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006367,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.340000Z",
"spacegroup": 216
},
{
"id": "mp-29157",
"created_at": "2022-09-04T14:39:06.504664Z",
"structure_string": "Si6 P4 Pt2\n1.0\n4.889133 0.000000 0.000000\n-1.702559 5.255020 0.000000\n-0.501187 -0.370800 8.125632\nSi P Pt\n6 4 2\ndirect\n0.666957 0.607750 0.073527 Si\n0.177958 0.754998 0.804105 Si\n0.666578 0.962441 0.754824 Si\n0.561063 0.331290 0.669915 Si\n0.353303 0.024546 0.233275 Si\n0.056650 0.452610 0.396385 Si\n0.192389 0.118234 0.479556 P\n0.295026 0.397084 0.885567 P\n0.495010 0.691977 0.318096 P\n0.795153 0.269834 0.163523 P\n0.852280 0.716216 0.558080 Pt\n0.999834 0.998729 0.000816 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Si",
"P",
"Pt"
],
"chemical_system": "P-Pt-Si",
"density": 5.429211588304949,
"density_atomic": 0.057480147170756446,
"volume": 208.7677326982404,
"volume_molar": 10.476905603790485,
"formula_full": "Si6 P4 Pt2",
"formula_reduced": "Si3P2Pt",
"formula_anonymous": "AB2C3",
"energy": -70.81021113999999,
"energy_per_atom": -5.900850928333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.23621114,
"band_gap": 0.6067,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0052505,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:26.972000Z",
"spacegroup": 1
},
{
"id": "mp-972861",
"created_at": "2022-09-04T14:39:06.511514Z",
"structure_string": "Sc2 Tl1 Tc1\n1.0\n0.000000 3.404826 3.404826\n3.404826 0.000000 3.404826\n3.404826 3.404826 0.000000\nSc Tl Tc\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Tl",
"Tc"
],
"chemical_system": "Sc-Tc-Tl",
"density": 8.251772460437026,
"density_atomic": 0.050669337703433966,
"volume": 78.94320670642813,
"volume_molar": 11.885177570797154,
"formula_full": "Sc2 Tl1 Tc1",
"formula_reduced": "Sc2TlTc",
"formula_anonymous": "ABC2",
"energy": -26.13025052,
"energy_per_atom": -6.53256263,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.13025052,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016513,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.114000Z",
"spacegroup": 225
},
{
"id": "mp-1184301",
"created_at": "2022-09-04T14:39:06.938923Z",
"structure_string": "Ga6 Ag2\n1.0\n2.907178 -5.035381 0.000000\n2.907178 5.035381 0.000000\n0.000000 0.000000 5.142811\nGa Ag\n6 2\ndirect\n0.166501 0.333002 0.250000 Ga\n0.666998 0.833499 0.250000 Ga\n0.166501 0.833499 0.250000 Ga\n0.833499 0.666998 0.750000 Ga\n0.333002 0.166501 0.750000 Ga\n0.833499 0.166501 0.750000 Ga\n0.333333 0.666667 0.750000 Ag\n0.666667 0.333333 0.250000 Ag\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ga",
"Ag"
],
"chemical_system": "Ag-Ga",
"density": 6.992859407357946,
"density_atomic": 0.05313191471606831,
"volume": 150.56863737644704,
"volume_molar": 11.334319104029516,
"formula_full": "Ga6 Ag2",
"formula_reduced": "Ga3Ag",
"formula_anonymous": "AB3",
"energy": -23.33062783,
"energy_per_atom": -2.91632847875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.33062783,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013853,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.107000Z",
"spacegroup": 194
},
{
"id": "mp-979137",
"created_at": "2022-09-04T14:39:06.513885Z",
"structure_string": "Sr1 Ga1 Si1 H1\n1.0\n2.101047 -3.639120 0.000000\n2.101047 3.639120 0.000000\n0.000000 0.000000 4.947819\nSr Ga Si H\n1 1 1 1\ndirect\n0.666667 0.333333 0.996858 Sr\n0.333333 0.666667 0.547676 Ga\n0.000000 0.000000 0.444042 Si\n0.333333 0.666667 0.908324 H\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Sr",
"Ga",
"Si",
"H"
],
"chemical_system": "Ga-H-Si-Sr",
"density": 4.091701610414293,
"density_atomic": 0.05286692462986074,
"volume": 75.66167368360001,
"volume_molar": 11.391131226495675,
"formula_full": "Sr1 Ga1 Si1 H1",
"formula_reduced": "SrGaSiH",
"formula_anonymous": "ABCD",
"energy": -15.28587361,
"energy_per_atom": -3.8214684025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.17787361,
"band_gap": 0.4169,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.302000Z",
"spacegroup": 156
},
{
"id": "mp-30083",
"created_at": "2022-09-04T14:39:07.505553Z",
"structure_string": "Tl1 Bi1\n1.0\n3.991709 0.000000 0.000000\n0.000000 3.991709 0.000000\n0.000000 0.000000 3.991709\nTl Bi\n1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Bi\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tl",
"Bi"
],
"chemical_system": "Bi-Tl",
"density": 10.792071493296165,
"density_atomic": 0.031445128658889265,
"volume": 63.60285631824302,
"volume_molar": 19.15126767432574,
"formula_full": "Tl1 Bi1",
"formula_reduced": "TlBi",
"formula_anonymous": "AB",
"energy": -6.07762352,
"energy_per_atom": -3.03881176,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.07762352,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012028,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:24.977000Z",
"spacegroup": 221
}
]
}