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=64",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=62",
"results": [
{
"id": "mp-12630",
"created_at": "2022-09-04T14:46:00.934443Z",
"structure_string": "Mg2 Se2 O8\n1.0\n2.751752 -4.174668 0.000000\n2.751752 4.174668 0.000000\n0.000000 0.000000 6.670713\nMg Se O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.349356 0.650644 0.750000 Se\n0.650644 0.349356 0.250000 Se\n0.220836 0.281771 0.750000 O\n0.779164 0.718229 0.250000 O\n0.281771 0.220836 0.250000 O\n0.718229 0.779164 0.750000 O\n0.242481 0.757519 0.957866 O\n0.757519 0.242481 0.457866 O\n0.757519 0.242481 0.042134 O\n0.242481 0.757519 0.542134 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mg",
"Se",
"O"
],
"chemical_system": "Mg-O-Se",
"density": 3.6244695130897613,
"density_atomic": 0.0782974756904347,
"volume": 153.26164597495438,
"volume_molar": 7.6913600430871885,
"formula_full": "Mg2 Se2 O8",
"formula_reduced": "MgSeO4",
"formula_anonymous": "ABC4",
"energy": -72.24314973999999,
"energy_per_atom": -6.020262478333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.74714974,
"band_gap": 2.869,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:12.976000Z",
"spacegroup": 63
},
{
"id": "mp-1518977",
"created_at": "2022-09-04T14:46:04.032754Z",
"structure_string": "Ba1 Ce1 Nb1 In1 O6\n1.0\n0.000000 -4.294264 -4.294264\n4.294264 0.000000 -4.294264\n4.294264 -4.294264 0.000000\nBa Ce Nb In O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Nb\n0.750000 0.750000 0.750000 In\n0.736344 0.263656 0.263656 O\n0.263656 0.736344 0.736344 O\n0.736344 0.263656 0.736344 O\n0.263656 0.736344 0.263656 O\n0.736344 0.736344 0.263656 O\n0.263656 0.263656 0.736344 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Ce",
"Nb",
"In",
"O"
],
"chemical_system": "Ba-Ce-In-Nb-O",
"density": 6.0932840077278305,
"density_atomic": 0.06313988459135357,
"volume": 158.37849664630855,
"volume_molar": 9.537776001612581,
"formula_full": "Ba1 Ce1 Nb1 In1 O6",
"formula_reduced": "BaCeNbInO6",
"formula_anonymous": "ABCDE6",
"energy": -80.3659528,
"energy_per_atom": -8.03659528,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.2439528,
"band_gap": 0.7648000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:16.987000Z",
"spacegroup": 216
},
{
"id": "mp-1365085",
"created_at": "2022-09-04T14:45:59.790711Z",
"structure_string": "Ca2 Pt2 O12\n1.0\n5.773510 3.307410 0.000000\n-5.773510 3.307410 0.000000\n0.000000 0.076068 7.140588\nCa Pt O\n2 2 12\ndirect\n0.332486 0.667514 0.250000 Ca\n0.667514 0.332486 0.750000 Ca\n0.000000 0.000000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.204518 0.285094 0.332554 O\n0.714469 0.913701 0.336574 O\n0.083660 0.799439 0.336833 O\n0.285094 0.204518 0.832554 O\n0.799439 0.083660 0.836833 O\n0.913701 0.714469 0.836574 O\n0.795482 0.714906 0.667446 O\n0.285531 0.086299 0.663426 O\n0.916340 0.200561 0.663167 O\n0.714906 0.795482 0.167446 O\n0.200561 0.916340 0.163167 O\n0.086299 0.285531 0.163426 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Pt",
"O"
],
"chemical_system": "Ca-O-Pt",
"density": 4.032950948209944,
"density_atomic": 0.058671616475230746,
"volume": 272.7042641948459,
"volume_molar": 10.264146655209938,
"formula_full": "Ca2 Pt2 O12",
"formula_reduced": "CaPtO6",
"formula_anonymous": "ABC6",
"energy": -90.02888191,
"energy_per_atom": -5.626805119375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.09688191,
"band_gap": 1.9818,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0035059,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.187000Z",
"spacegroup": 163
},
{
"id": "mp-1222695",
"created_at": "2022-09-04T14:46:03.886871Z",
"structure_string": "La1 Y1 Mg4\n1.0\n0.000000 4.332922 4.332922\n4.332922 0.000000 4.332922\n4.332922 4.332922 0.000000\nLa Y Mg\n1 1 4\ndirect\n0.250000 0.250000 0.250000 La\n0.000000 0.000000 0.000000 Y\n0.625118 0.625118 0.124647 Mg\n0.625118 0.124647 0.625118 Mg\n0.124647 0.625118 0.625118 Mg\n0.625118 0.625118 0.625118 Mg\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Y",
"Mg"
],
"chemical_system": "La-Mg-Y",
"density": 3.3174294841946823,
"density_atomic": 0.03687895798244652,
"volume": 162.69440158411888,
"volume_molar": 16.329476453392182,
"formula_full": "La1 Y1 Mg4",
"formula_reduced": "LaYMg4",
"formula_anonymous": "ABC4",
"energy": -18.42053789,
"energy_per_atom": -3.070089648333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.42053789,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038526,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.577000Z",
"spacegroup": 216
},
{
"id": "mp-10113",
"created_at": "2022-09-04T14:46:04.261192Z",
"structure_string": "Sc1 B1 Ir3\n1.0\n4.150066 0.000000 0.000000\n0.000000 4.150066 0.000000\n0.000000 0.000000 4.150066\nSc B Ir\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.500000 0.500000 0.000000 Ir\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sc",
"B",
"Ir"
],
"chemical_system": "B-Ir-Sc",
"density": 14.692247947200345,
"density_atomic": 0.06995278246438874,
"volume": 71.47678510923248,
"volume_molar": 8.6088652200014,
"formula_full": "Sc1 B1 Ir3",
"formula_reduced": "ScBIr3",
"formula_anonymous": "ABC3",
"energy": -42.82384332,
"energy_per_atom": -8.564768664,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.82384332,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:20.524000Z",
"spacegroup": 221
},
{
"id": "mp-1203087",
"created_at": "2022-09-04T14:45:59.653879Z",
"structure_string": "Ga4 Hg11 P4 Cl16\n1.0\n3.828256 6.638447 0.000000\n-3.828256 6.638447 0.000000\n0.000000 4.200124 22.181444\nGa Hg P Cl\n4 11 4 16\ndirect\n0.630798 0.630798 0.613300 Ga\n0.369202 0.369202 0.386700 Ga\n0.211820 0.211820 0.884539 Ga\n0.788180 0.788180 0.115461 Ga\n0.521845 0.521845 0.939890 Hg\n0.478155 0.478155 0.060110 Hg\n0.961100 0.961100 0.620321 Hg\n0.038900 0.038900 0.379679 Hg\n0.000000 0.000000 0.500000 Hg\n0.744368 0.744368 0.780728 Hg\n0.255632 0.255632 0.219272 Hg\n0.244088 0.744386 0.779976 Hg\n0.744386 0.244088 0.779976 Hg\n0.755912 0.255614 0.220024 Hg\n0.255614 0.755912 0.220024 Hg\n0.562820 0.562820 0.826367 P\n0.437180 0.437180 0.173633 P\n0.924881 0.924881 0.734883 P\n0.075119 0.075119 0.265117 P\n0.243307 0.243307 0.784660 Cl\n0.756693 0.756693 0.215340 Cl\n0.044458 0.044458 0.914526 Cl\n0.955542 0.955542 0.085474 Cl\n0.463825 0.928114 0.651532 Cl\n0.928114 0.463825 0.651532 Cl\n0.536175 0.071886 0.348468 Cl\n0.071886 0.536175 0.348468 Cl\n0.464049 0.464049 0.651516 Cl\n0.535951 0.535951 0.348484 Cl\n0.044438 0.519241 0.914034 Cl\n0.519241 0.044438 0.914034 Cl\n0.955562 0.480759 0.085966 Cl\n0.480759 0.955562 0.085966 Cl\n0.660652 0.660652 0.515674 Cl\n0.339348 0.339348 0.484326 Cl\n",
"nsites": 35,
"nelements": 4,
"elements": [
"Ga",
"Hg",
"P",
"Cl"
],
"chemical_system": "Cl-Ga-Hg-P",
"density": 4.678580504856417,
"density_atomic": 0.03104422121478221,
"volume": 1127.4239981041683,
"volume_molar": 19.39858860795793,
"formula_full": "Ga4 Hg11 P4 Cl16",
"formula_reduced": "Ga4Hg11(PCl4)4",
"formula_anonymous": "A4B4C11D16",
"energy": -101.24170663,
"energy_per_atom": -2.8926201894285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.41770663,
"band_gap": 1.7188,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003825,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:16.225000Z",
"spacegroup": 12
},
{
"id": "mp-1216966",
"created_at": "2022-09-04T14:46:11.959307Z",
"structure_string": "Ti1 Cr1 B4\n1.0\n1.508163 -2.612215 0.000000\n1.508163 2.612215 0.000000\n0.000000 0.000000 6.131630\nTi Cr B\n1 1 4\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Cr\n0.666667 0.333333 0.759590 B\n0.666667 0.333333 0.240410 B\n0.333333 0.666667 0.759590 B\n0.333333 0.666667 0.240410 B\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"Cr",
"B"
],
"chemical_system": "B-Cr-Ti",
"density": 4.918663831452296,
"density_atomic": 0.12419042502166414,
"volume": 48.312903341407704,
"volume_molar": 4.849118407437192,
"formula_full": "Ti1 Cr1 B4",
"formula_reduced": "TiCrB4",
"formula_anonymous": "ABC4",
"energy": -48.37281386,
"energy_per_atom": -8.062135643333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.37281386,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0107376,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.973000Z",
"spacegroup": 191
},
{
"id": "mp-1113148",
"created_at": "2022-09-04T14:46:02.228669Z",
"structure_string": "Cs2 Bi1 Au1 F6\n1.0\n6.783691 -0.000000 -0.000000\n3.391846 5.874849 -0.000000\n3.391846 1.958283 5.538861\nCs Bi Au F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Au\n0.237364 0.762636 0.237364 F\n0.762636 0.762636 0.237364 F\n0.762636 0.237364 0.762636 F\n0.762636 0.237364 0.237364 F\n0.237364 0.762636 0.762636 F\n0.237364 0.237364 0.762636 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Bi",
"Au",
"F"
],
"chemical_system": "Au-Bi-Cs-F",
"density": 5.910841457594365,
"density_atomic": 0.04530193656466519,
"volume": 220.74111524406322,
"volume_molar": 13.293340675191306,
"formula_full": "Cs2 Bi1 Au1 F6",
"formula_reduced": "Cs2BiAuF6",
"formula_anonymous": "ABC2D6",
"energy": -44.37056105,
"energy_per_atom": -4.437056105,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.59856105,
"band_gap": 1.2369,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00067,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.741000Z",
"spacegroup": 225
},
{
"id": "mp-1224422",
"created_at": "2022-09-04T14:46:00.692126Z",
"structure_string": "Hf6 Ga6 Pd4 Pt2\n1.0\n3.591721 -6.221043 0.000000\n3.591721 6.221043 0.000000\n0.000000 0.000000 6.985182\nHf Ga Pd Pt\n6 6 4 2\ndirect\n0.746277 0.055179 0.000000 Hf\n0.308901 0.253723 0.000000 Hf\n0.944821 0.691099 0.000000 Hf\n0.356565 0.277761 0.500000 Hf\n0.722239 0.078804 0.500000 Hf\n0.921196 0.643435 0.500000 Hf\n0.598291 0.666003 0.749906 Ga\n0.067712 0.401709 0.749906 Ga\n0.333997 0.932288 0.749906 Ga\n0.598291 0.666003 0.250094 Ga\n0.067712 0.401709 0.250094 Ga\n0.333997 0.932288 0.250094 Ga\n0.333333 0.666667 0.000000 Pd\n0.333333 0.666667 0.500000 Pd\n0.666667 0.333333 0.784886 Pd\n0.666667 0.333333 0.215114 Pd\n0.000000 0.000000 0.284727 Pt\n0.000000 0.000000 0.715273 Pt\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Hf",
"Ga",
"Pd",
"Pt"
],
"chemical_system": "Ga-Hf-Pd-Pt",
"density": 12.26225230276882,
"density_atomic": 0.057663232712384924,
"volume": 312.15731677377767,
"volume_molar": 10.44364056041999,
"formula_full": "Hf6 Ga6 Pd4 Pt2",
"formula_reduced": "Hf3Ga3Pd2Pt",
"formula_anonymous": "AB2C3D3",
"energy": -125.37476891,
"energy_per_atom": -6.965264939444444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -125.37476891,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000129,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.395000Z",
"spacegroup": 174
},
{
"id": "mp-1080273",
"created_at": "2022-09-04T14:46:02.430939Z",
"structure_string": "Ce4 Se8\n1.0\n0.000000 8.001354 12.397459\n3.992380 0.000000 12.397459\n3.992380 8.001354 0.000000\nCe Se\n4 8\ndirect\n0.937069 0.937069 0.562931 Ce\n0.562931 0.562931 0.937069 Ce\n0.312931 0.312931 0.687069 Ce\n0.687069 0.687069 0.312931 Ce\n0.437935 0.062065 0.437935 Se\n0.812065 0.187935 0.812065 Se\n0.062065 0.437935 0.062065 Se\n0.187935 0.812065 0.187935 Se\n0.125000 0.625000 0.625000 Se\n0.625000 0.625000 0.125000 Se\n0.625000 0.625000 0.625000 Se\n0.625000 0.125000 0.625000 Se\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ce",
"Se"
],
"chemical_system": "Ce-Se",
"density": 2.4993080155765166,
"density_atomic": 0.015150369093934381,
"volume": 792.0599112535373,
"volume_molar": 39.74913563268258,
"formula_full": "Ce4 Se8",
"formula_reduced": "CeSe2",
"formula_anonymous": "AB2",
"energy": -68.49197778,
"energy_per_atom": -5.707664815,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.71597778,
"band_gap": 1.0082,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0059475,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.209000Z",
"spacegroup": 70
},
{
"id": "mp-1191644",
"created_at": "2022-09-04T14:46:00.105703Z",
"structure_string": "H16 S8\n1.0\n-4.184797 4.242642 5.212658\n4.184797 -4.242642 5.212658\n4.184797 4.242642 -5.212658\nH S\n16 8\ndirect\n0.276651 0.768201 0.668278 H\n0.900077 0.731799 0.008450 H\n0.223349 0.891627 0.491550 H\n0.599923 0.608373 0.831722 H\n0.723349 0.231799 0.331722 H\n0.099923 0.268201 0.991550 H\n0.776651 0.108373 0.508450 H\n0.400077 0.391627 0.168278 H\n0.585966 0.099456 0.807241 H\n0.707784 0.400544 0.986510 H\n0.914034 0.721274 0.513490 H\n0.792216 0.778726 0.692759 H\n0.414034 0.900544 0.192759 H\n0.292216 0.599456 0.013490 H\n0.085966 0.278726 0.486510 H\n0.207784 0.221274 0.307241 H\n0.243318 0.750000 0.993318 S\n0.256682 0.250000 0.506682 S\n0.756682 0.250000 0.006682 S\n0.743318 0.750000 0.493318 S\n0.750000 0.280546 0.530546 S\n0.250000 0.219454 0.969454 S\n0.250000 0.719454 0.469454 S\n0.750000 0.780546 0.030546 S\n",
"nsites": 24,
"nelements": 2,
"elements": [
"H",
"S"
],
"chemical_system": "H-S",
"density": 1.2229814749187282,
"density_atomic": 0.06483077835470943,
"volume": 370.1945373644676,
"volume_molar": 9.289015052466263,
"formula_full": "H16 S8",
"formula_reduced": "H2S",
"formula_anonymous": "AB2",
"energy": -94.72397628,
"energy_per_atom": -3.9468323450000002,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.69997628,
"band_gap": 4.4350000000000005,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003484,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.080000Z",
"spacegroup": 73
},
{
"id": "mp-1062676",
"created_at": "2022-09-04T14:46:04.944952Z",
"structure_string": "K2 Pt1\n1.0\n0.000000 3.830119 3.830119\n3.830119 0.000000 3.830119\n3.830119 3.830119 0.000000\nK Pt\n2 1\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 3,
"nelements": 2,
"elements": [
"K",
"Pt"
],
"chemical_system": "K-Pt",
"density": 4.038230474003732,
"density_atomic": 0.02669650792355116,
"volume": 112.37424792002314,
"volume_molar": 22.557784625783885,
"formula_full": "K2 Pt1",
"formula_reduced": "K2Pt",
"formula_anonymous": "AB2",
"energy": -8.26388625,
"energy_per_atom": -2.75462875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.26388625,
"band_gap": 1.3146,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.97e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:15.391000Z",
"spacegroup": 225
}
]
}