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=13",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density_atomic&page=11",
"results": [
{
"id": "mp-1096498",
"created_at": "2022-09-04T14:44:43.711218Z",
"structure_string": "Ba2 Na1 Mg1\n1.0\n-7.323016 7.512237 10.373433\n7.323016 -7.512237 10.373433\n7.323016 7.512237 -10.373433\nBa Na Mg\n2 1 1\ndirect\n0.740948 0.000000 0.740948 Ba\n0.259052 0.000000 0.259052 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Mg"
],
"chemical_system": "Ba-Mg-Na",
"density": 0.23420389057920193,
"density_atomic": 0.0017523394162980775,
"volume": 2282.662800823279,
"volume_molar": 343.6629173543408,
"formula_full": "Ba2 Na1 Mg1",
"formula_reduced": "Ba2NaMg",
"formula_anonymous": "ABC2",
"energy": -1.68091375,
"energy_per_atom": -0.4202284375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.68091375,
"band_gap": 0.1331,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.9997494,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.729000Z",
"spacegroup": 71
},
{
"id": "mp-1207379",
"created_at": "2022-09-04T14:40:30.685638Z",
"structure_string": "Y3 Tl1 S6\n1.0\n5.579475 -9.697321 0.000000\n5.579475 9.697321 0.000000\n0.000000 0.000000 52.592400\nY Tl S\n3 1 6\ndirect\n0.000000 0.000000 0.500000 Y\n0.500000 0.000000 0.000000 Y\n0.000000 0.500000 0.000000 Y\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.231039 S\n0.000000 0.000000 0.768961 S\n0.280478 0.997133 0.000000 S\n0.719522 0.002867 0.000000 S\n0.997133 0.280478 0.000000 S\n0.002867 0.719522 0.000000 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Y",
"Tl",
"S"
],
"chemical_system": "S-Tl-Y",
"density": 0.19359134723478236,
"density_atomic": 0.0017571219608662027,
"volume": 5691.124590503856,
"volume_molar": 342.7275336671158,
"formula_full": "Y3 Tl1 S6",
"formula_reduced": "Y3TlS6",
"formula_anonymous": "AB3C6",
"energy": -37.6211459,
"energy_per_atom": -3.7621145900000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.6031459,
"band_gap": 0.0005999999999994,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.509069,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.017000Z",
"spacegroup": 65
},
{
"id": "mp-1217805",
"created_at": "2022-09-04T14:48:30.400982Z",
"structure_string": "Ta2\n1.0\n0.000000 0.000000 2.406720\n21.717152 0.000333 0.000000\n0.000333 21.717152 0.000000\nTa\n2\ndirect\n0.000000 0.818090 0.318090 Ta\n0.000000 0.181910 0.681910 Ta\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ta"
],
"chemical_system": "Ta",
"density": 0.5294211455763627,
"density_atomic": 0.0017619707183544225,
"volume": 1135.092643235231,
"volume_molar": 341.7843836601512,
"formula_full": "Ta2",
"formula_reduced": "Ta",
"formula_anonymous": "A",
"energy": -13.42462527,
"energy_per_atom": -6.712312635,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.42462527,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.4133939,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:57.531000Z",
"spacegroup": 65
},
{
"id": "mp-1206232",
"created_at": "2022-09-04T14:48:10.079041Z",
"structure_string": "Nd2 Cd1 Sb3\n1.0\n9.108975 0.000000 0.000000\n0.000000 9.108975 0.000000\n0.000000 0.000000 41.011323\nNd Cd Sb\n2 1 3\ndirect\n0.500000 0.500000 0.242870 Nd\n0.500000 0.500000 0.757130 Nd\n0.500000 0.500000 0.500000 Cd\n0.500000 0.500000 0.690898 Sb\n0.500000 0.500000 0.309102 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nd",
"Cd",
"Sb"
],
"chemical_system": "Cd-Nd-Sb",
"density": 0.37388175674075,
"density_atomic": 0.001763227905478751,
"volume": 3402.8499556731335,
"volume_molar": 341.54069030372284,
"formula_full": "Nd2 Cd1 Sb3",
"formula_reduced": "Nd2CdSb3",
"formula_anonymous": "AB2C3",
"energy": -11.8522232,
"energy_per_atom": -1.9753705333333331,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.2762232,
"band_gap": 0.1359000000000003,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.1427472,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:33.257000Z",
"spacegroup": 123
},
{
"id": "mp-1210578",
"created_at": "2022-09-04T14:41:34.850455Z",
"structure_string": "Nb1 S6\n1.0\n4.555855 -8.419017 0.000000\n4.555855 8.419017 0.000000\n0.000000 0.000000 51.726074\nNb S\n1 6\ndirect\n0.000000 0.000000 0.000000 Nb\n0.000000 0.000000 0.249996 S\n0.000000 0.000000 0.750004 S\n0.242245 0.990732 0.000000 S\n0.757755 0.009268 0.000000 S\n0.990732 0.242245 0.000000 S\n0.009268 0.757755 0.000000 S\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Nb",
"S"
],
"chemical_system": "Nb-S",
"density": 0.11939181829879468,
"density_atomic": 0.0017641164425055379,
"volume": 3967.992039152498,
"volume_molar": 341.36866563336827,
"formula_full": "Nb1 S6",
"formula_reduced": "NbS6",
"formula_anonymous": "AB6",
"energy": -30.13715166,
"energy_per_atom": -4.30530738,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.11915166,
"band_gap": 0.0632999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9285446,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.588000Z",
"spacegroup": 65
},
{
"id": "mp-1206277",
"created_at": "2022-09-04T14:42:53.534180Z",
"structure_string": "Tb2 Zn1 Sb3\n1.0\n9.202676 0.000000 0.000000\n0.000000 9.202676 0.000000\n0.000000 0.000000 40.040695\nTb Zn Sb\n2 1 3\ndirect\n0.500000 0.500000 0.243068 Tb\n0.500000 0.500000 0.756932 Tb\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 0.691061 Sb\n0.500000 0.500000 0.308939 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"Zn",
"Sb"
],
"chemical_system": "Sb-Tb-Zn",
"density": 0.36655071006493717,
"density_atomic": 0.001769381080884691,
"volume": 3391.016251287144,
"volume_molar": 340.3529530783118,
"formula_full": "Tb2 Zn1 Sb3",
"formula_reduced": "Tb2ZnSb3",
"formula_anonymous": "AB2C3",
"energy": -11.19840549,
"energy_per_atom": -1.866400915,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.62240549,
"band_gap": 0.1316999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9275739,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.857000Z",
"spacegroup": 123
},
{
"id": "mp-1097299",
"created_at": "2022-09-04T14:47:28.089918Z",
"structure_string": "Rb2 Na1 Hg1\n1.0\n-7.163023 7.764362 10.125819\n7.163023 -7.764362 10.125819\n7.163023 7.764362 -10.125819\nRb Na Hg\n2 1 1\ndirect\n0.249841 0.000000 0.249841 Rb\n0.750159 0.000000 0.750159 Rb\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Na",
"Hg"
],
"chemical_system": "Hg-Na-Rb",
"density": 0.29081764404862437,
"density_atomic": 0.001775692330317945,
"volume": 2252.642494256752,
"volume_molar": 339.14325455929134,
"formula_full": "Rb2 Na1 Hg1",
"formula_reduced": "Rb2NaHg",
"formula_anonymous": "ABC2",
"energy": -2.07442825,
"energy_per_atom": -0.5186070625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.07442825,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0067687,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.453000Z",
"spacegroup": 71
},
{
"id": "mp-1212183",
"created_at": "2022-09-04T14:40:06.210938Z",
"structure_string": "Li7 Al6\n1.0\n-6.634359 -11.491048 0.000000\n-7.718719 12.117103 0.000000\n0.000000 0.000000 -43.297062\nLi Al\n7 6\ndirect\n-0.000000 -0.000000 0.598455 Li\n-0.000000 -0.000000 0.401545 Li\n0.613898 0.611821 0.000000 Li\n0.386102 0.388179 -0.000000 Li\n0.002078 0.388179 0.000000 Li\n0.997922 0.611821 -0.000000 Li\n-0.000000 -0.000000 -0.000000 Li\n-0.000000 -0.000000 0.803650 Al\n-0.000000 -0.000000 0.196350 Al\n0.804103 0.795587 0.000000 Al\n0.195897 0.204413 0.000000 Al\n0.008516 0.204413 -0.000000 Al\n0.991484 0.795587 -0.000000 Al\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Li",
"Al"
],
"chemical_system": "Al-Li",
"density": 0.04774057734020273,
"density_atomic": 0.0017757378921422955,
"volume": 7320.90026209694,
"volume_molar": 339.1345528328359,
"formula_full": "Li7 Al6",
"formula_reduced": "Li7Al6",
"formula_anonymous": "A6B7",
"energy": -14.98343087,
"energy_per_atom": -1.1525716053846153,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.98343087,
"band_gap": 0.0739999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 8.9999897,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.531000Z",
"spacegroup": 65
},
{
"id": "mp-1206433",
"created_at": "2022-09-04T14:39:18.201421Z",
"structure_string": "Cd1 Cl6\n1.0\n5.208224 -8.259297 0.000000\n5.208224 8.259297 0.000000\n0.000000 0.000000 45.651971\nCd Cl\n1 6\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.249987 Cl\n0.000000 0.000000 0.750013 Cl\n0.256217 0.009898 0.000000 Cl\n0.743784 0.990102 0.000000 Cl\n0.009898 0.256216 0.000000 Cl\n0.990102 0.743784 0.000000 Cl\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Cd",
"Cl"
],
"chemical_system": "Cd-Cl",
"density": 0.13746196236731428,
"density_atomic": 0.0017822793437850986,
"volume": 3927.554916915447,
"volume_molar": 337.88983646135614,
"formula_full": "Cd1 Cl6",
"formula_reduced": "CdCl6",
"formula_anonymous": "AB6",
"energy": -13.424655690000002,
"energy_per_atom": -1.917807955714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.74065569,
"band_gap": 0.6686999999999994,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9719953,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.529000Z",
"spacegroup": 65
},
{
"id": "mp-1209731",
"created_at": "2022-09-04T14:47:12.567658Z",
"structure_string": "Tl3 Bi1 S6\n1.0\n6.326485 -8.134119 0.000000\n6.326485 8.134119 0.000000\n0.000000 0.000000 54.453852\nTl Bi S\n3 1 6\ndirect\n0.000000 0.000000 0.500000 Tl\n0.500000 0.000000 0.000000 Tl\n0.000000 0.500000 0.000000 Tl\n0.000000 0.000000 0.000000 Bi\n0.000000 0.000000 0.250225 S\n0.000000 0.000000 0.749775 S\n0.256936 0.011334 0.000000 S\n0.743064 0.988666 0.000000 S\n0.011334 0.256936 0.000000 S\n0.988666 0.743064 0.000000 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tl",
"Bi",
"S"
],
"chemical_system": "Bi-S-Tl",
"density": 0.3005925635257331,
"density_atomic": 0.0017843021274062006,
"volume": 5604.432033344472,
"volume_molar": 337.5067858465342,
"formula_full": "Tl3 Bi1 S6",
"formula_reduced": "Tl3BiS6",
"formula_anonymous": "AB3C6",
"energy": -28.0022868,
"energy_per_atom": -2.80022868,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.9842868,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.6298503,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.829000Z",
"spacegroup": 65
},
{
"id": "mp-1096400",
"created_at": "2022-09-04T14:41:04.581115Z",
"structure_string": "Cs2 Cd1 Hg1\n1.0\n-7.080677 7.851528 10.057049\n7.080677 -7.851528 10.057049\n7.080677 7.851528 -10.057049\nCs Cd Hg\n2 1 1\ndirect\n0.749053 0.000000 0.749053 Cs\n0.250947 0.000000 0.250947 Cs\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cs",
"Cd",
"Hg"
],
"chemical_system": "Cd-Cs-Hg",
"density": 0.42976102505157343,
"density_atomic": 0.0017885474503379396,
"volume": 2236.4517079176258,
"volume_molar": 336.70567470055875,
"formula_full": "Cs2 Cd1 Hg1",
"formula_reduced": "Cs2CdHg",
"formula_anonymous": "ABC2",
"energy": -1.34018714,
"energy_per_atom": -0.335046785,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.34018714,
"band_gap": 0.1491,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.74e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.317000Z",
"spacegroup": 71
},
{
"id": "mp-1207062",
"created_at": "2022-09-04T14:44:24.901799Z",
"structure_string": "Tm3 Tl1 S6\n1.0\n7.214893 -7.589748 0.000000\n7.214893 7.589748 0.000000\n0.000000 0.000000 51.028542\nTm Tl S\n3 1 6\ndirect\n0.000000 0.000000 0.500000 Tm\n0.500000 0.000000 0.000000 Tm\n0.000000 0.500000 0.000000 Tm\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.231176 S\n0.000000 0.000000 0.768824 S\n0.271032 0.010352 0.000000 S\n0.728968 0.989648 0.000000 S\n0.010352 0.271032 0.000000 S\n0.989648 0.728968 0.000000 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tm",
"Tl",
"S"
],
"chemical_system": "S-Tl-Tm",
"density": 0.2684808687065364,
"density_atomic": 0.0017893676995983984,
"volume": 5588.566286428651,
"volume_molar": 336.55132823463816,
"formula_full": "Tm3 Tl1 S6",
"formula_reduced": "Tm3TlS6",
"formula_anonymous": "AB3C6",
"energy": -33.3816511,
"energy_per_atom": -3.33816511,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.3636511,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.5880388,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.225000Z",
"spacegroup": 65
}
]
}