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&page=12",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=10",
"results": [
{
"id": "mp-1206385",
"created_at": "2022-09-04T14:42:19.765328Z",
"structure_string": "Tm2 Se2 I2\n1.0\n10.485124 0.000000 0.000000\n0.000000 13.997237 0.000000\n0.000000 0.000000 42.327629\nTm Se I\n2 2 2\ndirect\n0.500000 0.500000 0.114381 Tm\n0.500000 0.500000 0.885619 Tm\n0.500000 0.500000 0.670421 Se\n0.500000 0.500000 0.329579 Se\n0.500000 0.500000 0.049142 I\n0.500000 0.500000 0.950858 I\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tm",
"Se",
"I"
],
"chemical_system": "I-Se-Tm",
"density": 0.20037213090756667,
"density_atomic": 0.0009658538635649774,
"volume": 6212.119893431842,
"volume_molar": 623.5043402707124,
"formula_full": "Tm2 Se2 I2",
"formula_reduced": "TmSeI",
"formula_anonymous": "ABC",
"energy": -13.03172734,
"energy_per_atom": -2.1719545566666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.32972734,
"band_gap": 0.0688000000000004,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.559627,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.584000Z",
"spacegroup": 47
},
{
"id": "mp-1207351",
"created_at": "2022-09-04T14:44:42.464122Z",
"structure_string": "Y2 Cu1 As3\n1.0\n9.868397 0.000000 0.000000\n0.000000 9.868397 0.000000\n0.000000 0.000000 39.206031\nY Cu As\n2 1 3\ndirect\n0.500000 0.500000 0.245192 Y\n0.500000 0.500000 0.754808 Y\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.692878 As\n0.500000 0.500000 0.307122 As\n0.500000 0.500000 0.000000 As\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"Cu",
"As"
],
"chemical_system": "As-Cu-Y",
"density": 0.20272301675449328,
"density_atomic": 0.0015714665684784003,
"volume": 3818.0894970038107,
"volume_molar": 383.2178730872425,
"formula_full": "Y2 Cu1 As3",
"formula_reduced": "Y2CuAs3",
"formula_anonymous": "AB2C3",
"energy": -16.51411393,
"energy_per_atom": -2.7523523216666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.51411393,
"band_gap": 0.0402999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9931647,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:02.581000Z",
"spacegroup": 123
},
{
"id": "mp-1093566",
"created_at": "2022-09-04T14:45:55.461439Z",
"structure_string": "Ba1 Sr1 Ca2\n1.0\n-7.573049 7.701679 10.711418\n7.573049 -7.701679 10.711418\n7.573049 7.701679 -10.711418\nBa Sr Ca\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.268036 0.000000 0.268036 Ca\n0.731964 0.000000 0.731964 Ca\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Ca"
],
"chemical_system": "Ba-Ca-Sr",
"density": 0.20273672945833696,
"density_atomic": 0.0016006517437613707,
"volume": 2498.982065018342,
"volume_molar": 376.23054380639815,
"formula_full": "Ba1 Sr1 Ca2",
"formula_reduced": "BaSrCa2",
"formula_anonymous": "ABC2",
"energy": -1.36920169,
"energy_per_atom": -0.3423004225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.36920169,
"band_gap": 0.0009999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011439,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.688000Z",
"spacegroup": 71
},
{
"id": "mp-1095990",
"created_at": "2022-09-04T14:39:27.547239Z",
"structure_string": "Ba2 Na1 Li1\n1.0\n-7.487970 7.796809 10.629054\n7.487970 -7.796809 10.629054\n7.487970 7.796809 -10.629054\nBa Na Li\n2 1 1\ndirect\n0.756389 0.000000 0.756389 Ba\n0.243611 0.000000 0.243611 Ba\n0.500000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Li\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Li"
],
"chemical_system": "Ba-Li-Na",
"density": 0.20376129132168608,
"density_atomic": 0.0016114780540120541,
"volume": 2482.1932821494565,
"volume_molar": 373.70293346576057,
"formula_full": "Ba2 Na1 Li1",
"formula_reduced": "Ba2NaLi",
"formula_anonymous": "ABC2",
"energy": -2.31583272,
"energy_per_atom": -0.57895818,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.31583272,
"band_gap": 0.1102,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0035238,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.090000Z",
"spacegroup": 71
},
{
"id": "mp-1207354",
"created_at": "2022-09-04T14:41:03.557930Z",
"structure_string": "La2 Ag1 As3\n1.0\n10.609068 0.000000 0.000000\n0.000000 10.609068 0.000000\n0.000000 0.000000 43.932983\nLa Ag As\n2 1 3\ndirect\n0.500000 0.500000 0.247719 La\n0.500000 0.500000 0.752281 La\n0.500000 0.500000 0.500000 Ag\n0.500000 0.500000 0.696089 As\n0.500000 0.500000 0.303911 As\n0.500000 0.500000 0.000000 As\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Ag",
"As"
],
"chemical_system": "Ag-As-La",
"density": 0.20499804799754962,
"density_atomic": 0.001213405870809142,
"volume": 4944.7593293734335,
"volume_molar": 496.30061176350034,
"formula_full": "La2 Ag1 As3",
"formula_reduced": "La2AgAs3",
"formula_anonymous": "AB2C3",
"energy": -14.55101068,
"energy_per_atom": -2.4251684466666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.55101068,
"band_gap": 0.1244999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.740672,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.915000Z",
"spacegroup": 123
},
{
"id": "mp-1225236",
"created_at": "2022-09-04T14:43:10.128845Z",
"structure_string": "Na4 Zn2 Sn10\n1.0\n18.732225 -0.000000 -0.000000\n-0.000000 18.660966 -0.000000\n9.366113 9.330484 32.641176\nNa Zn Sn\n4 2 10\ndirect\n0.406011 0.954778 0.789564 Na\n0.343989 0.994342 0.710436 Na\n0.804424 0.255658 0.789564 Na\n0.945576 0.295222 0.710436 Na\n0.749991 0.249991 0.500017 Zn\n0.000009 0.000009 0.999983 Zn\n0.266693 0.777340 0.130877 Sn\n0.483307 0.158217 0.369123 Sn\n0.602430 0.091783 0.130877 Sn\n0.147570 0.472660 0.369123 Sn\n0.222690 0.397538 0.869052 Sn\n0.527310 0.516590 0.630948 Sn\n0.908258 0.733410 0.869052 Sn\n0.841742 0.852462 0.630948 Sn\n0.249972 0.749972 0.500056 Sn\n0.500028 0.500028 -0.000056 Sn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Zn",
"Sn"
],
"chemical_system": "Na-Sn-Zn",
"density": 0.2051828522081101,
"density_atomic": 0.0014022669499518154,
"volume": 11410.095631612647,
"volume_molar": 429.4575123664529,
"formula_full": "Na4 Zn2 Sn10",
"formula_reduced": "Na2ZnSn5",
"formula_anonymous": "AB2C5",
"energy": -11.66910873,
"energy_per_atom": -0.729319295625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.66910873,
"band_gap": 0.0011000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 17.2645744,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.281000Z",
"spacegroup": 24
},
{
"id": "mp-1188177",
"created_at": "2022-09-04T14:44:56.655303Z",
"structure_string": "H16\n1.0\n4.697337 0.000000 0.000000\n0.000000 4.955131 0.000000\n0.000000 0.000000 5.477365\nH\n16\ndirect\n0.515550 0.376635 0.750000 H\n0.984450 0.876635 0.750000 H\n0.484450 0.623365 0.250000 H\n0.015550 0.123365 0.250000 H\n0.457217 0.516211 0.750000 H\n0.042783 0.016211 0.750000 H\n0.542783 0.483789 0.250000 H\n0.957217 0.983789 0.250000 H\n0.946816 0.471238 0.956469 H\n0.553184 0.971238 0.543531 H\n0.053184 0.528762 0.456469 H\n0.446816 0.028762 0.043531 H\n0.053184 0.528762 0.043531 H\n0.446816 0.028762 0.456469 H\n0.946816 0.471238 0.543531 H\n0.553184 0.971238 0.956469 H\n",
"nsites": 16,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.21005122513482502,
"density_atomic": 0.12549933974338837,
"volume": 127.49071057039504,
"volume_molar": 4.798543779045867,
"formula_full": "H16",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -53.71851732,
"energy_per_atom": -3.3574073325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.71851732,
"band_gap": 7.3865,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.2e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.948000Z",
"spacegroup": 62
},
{
"id": "mp-1104326",
"created_at": "2022-09-04T14:46:00.299179Z",
"structure_string": "Ho2 V2 O8\n1.0\n-9.995653 9.995653 10.950731\n9.995653 -9.995653 10.950731\n9.995653 9.995653 -10.950731\nHo V O\n2 2 8\ndirect\n0.750000 0.250000 0.500000 Ho\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.000000 V\n0.250000 0.750000 0.500000 V\n0.547076 0.476862 0.929786 O\n0.226862 0.797076 0.429786 O\n0.367290 0.797076 0.570214 O\n0.547076 0.617290 0.070214 O\n0.202924 0.773138 0.570214 O\n0.523138 0.452924 0.070214 O\n0.382710 0.452924 0.929786 O\n0.202924 0.632710 0.429786 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ho",
"V",
"O"
],
"chemical_system": "Ho-O-V",
"density": 0.21237778961738732,
"density_atomic": 0.002741926453734511,
"volume": 4376.485001505408,
"volume_molar": 219.63173927578646,
"formula_full": "Ho2 V2 O8",
"formula_reduced": "HoVO4",
"formula_anonymous": "ABC4",
"energy": -70.50675672,
"energy_per_atom": -5.87556306,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.61075672,
"band_gap": 0.8788999999999998,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.6089358,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:19.972000Z",
"spacegroup": 141
},
{
"id": "mp-1206671",
"created_at": "2022-09-04T14:44:07.100632Z",
"structure_string": "Lu2 Se2 I2\n1.0\n10.250728 0.000000 0.000000\n0.000000 13.776492 0.000000\n0.000000 0.000000 42.139934\nLu Se I\n2 2 2\ndirect\n0.500000 0.500000 0.114470 Lu\n0.500000 0.500000 0.885530 Lu\n0.500000 0.500000 0.670397 Se\n0.500000 0.500000 0.329603 Se\n0.500000 0.500000 0.049139 I\n0.500000 0.500000 0.950861 I\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Lu",
"Se",
"I"
],
"chemical_system": "I-Lu-Se",
"density": 0.2125321898344925,
"density_atomic": 0.0010082402830233494,
"volume": 5950.962385680685,
"volume_molar": 597.2922190672415,
"formula_full": "Lu2 Se2 I2",
"formula_reduced": "LuSeI",
"formula_anonymous": "ABC",
"energy": -13.133106520000002,
"energy_per_atom": -2.188851086666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.43110652,
"band_gap": 0.0479000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.7916626,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.764000Z",
"spacegroup": 47
},
{
"id": "mp-1079812",
"created_at": "2022-09-04T14:41:36.660674Z",
"structure_string": "B9 N1\n1.0\n-7.029562 7.029562 4.385330\n7.029562 -7.029562 4.385330\n7.029562 7.029562 -4.385330\nB N\n9 1\ndirect\n0.000000 0.557441 0.557441 B\n0.000000 0.442559 0.442559 B\n0.442559 0.000000 0.442559 B\n0.557441 0.000000 0.557441 B\n0.658226 0.158226 0.500000 B\n0.341774 0.841774 0.500000 B\n0.841774 0.341774 0.500000 B\n0.158226 0.658226 0.500000 B\n0.000000 0.000000 0.000000 B\n0.500000 0.500000 0.000000 N\n",
"nsites": 10,
"nelements": 2,
"elements": [
"B",
"N"
],
"chemical_system": "B-N",
"density": 0.21322970201285238,
"density_atomic": 0.011536689317600173,
"volume": 866.7998005930674,
"volume_molar": 52.19990409911384,
"formula_full": "B9 N1",
"formula_reduced": "B9N",
"formula_anonymous": "AB9",
"energy": -46.10543408,
"energy_per_atom": -4.610543408,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.74443408,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.2363621,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:28.540000Z",
"spacegroup": 139
},
{
"id": "mp-1209830",
"created_at": "2022-09-04T14:41:17.344370Z",
"structure_string": "P1 Br2\n1.0\n10.104816 0.000000 0.000000\n0.000000 10.104816 0.000000\n0.000000 0.000000 14.527105\nP Br\n1 2\ndirect\n0.500000 0.500000 0.500000 P\n0.500000 0.500000 0.079361 Br\n0.500000 0.500000 0.920639 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"P",
"Br"
],
"chemical_system": "Br-P",
"density": 0.21357482431456934,
"density_atomic": 0.002022485234085032,
"volume": 1483.3235612507174,
"volume_molar": 297.7594426158767,
"formula_full": "P1 Br2",
"formula_reduced": "PBr2",
"formula_anonymous": "AB2",
"energy": -5.972461340000001,
"energy_per_atom": -1.9908204466666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.90446134,
"band_gap": 1.7542,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.9999403,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.727000Z",
"spacegroup": 123
},
{
"id": "mp-1093634",
"created_at": "2022-09-04T14:44:59.531857Z",
"structure_string": "Ba1 Sr1 Mg2\n1.0\n-6.954643 7.766033 9.824773\n6.954643 -7.766033 9.824773\n6.954643 7.766033 -9.824773\nBa Sr Mg\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.749882 0.000000 0.749882 Mg\n0.250118 0.000000 0.250118 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Mg"
],
"chemical_system": "Ba-Mg-Sr",
"density": 0.2140130914711982,
"density_atomic": 0.001884531504246206,
"volume": 2122.5434496516737,
"volume_molar": 319.55638557545876,
"formula_full": "Ba1 Sr1 Mg2",
"formula_reduced": "BaSrMg2",
"formula_anonymous": "ABC2",
"energy": -1.15450105,
"energy_per_atom": -0.2886252625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.15450105,
"band_gap": 0.0103999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000913,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.632000Z",
"spacegroup": 71
}
]
}