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=energy_per_atom&page=10382",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=10380",
"results": [
{
"id": "mp-1059612",
"created_at": "2022-09-04T14:45:57.489754Z",
"structure_string": "Li1 N1\n1.0\n0.000000 2.338122 2.338122\n2.338122 0.000000 2.338122\n2.338122 2.338122 0.000000\nLi N\n1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Li",
"N"
],
"chemical_system": "Li-N",
"density": 1.3606735493532864,
"density_atomic": 0.07823453310335766,
"volume": 25.564158443404377,
"volume_molar": 7.6975480278561825,
"formula_full": "Li1 N1",
"formula_reduced": "LiN",
"formula_anonymous": "AB",
"energy": -8.24365079,
"energy_per_atom": -4.121825395,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.88265079,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.000007,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:11.832000Z",
"spacegroup": 216
},
{
"id": "mp-1180489",
"created_at": "2022-09-04T14:39:21.233744Z",
"structure_string": "Li4 N4\n1.0\n-2.330510 2.330510 4.737118\n2.330510 -2.330510 4.737118\n2.330510 2.330510 -4.737118\nLi N\n4 4\ndirect\n0.740146 0.740146 0.000000 Li\n0.259854 0.259854 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.114846 0.634439 0.000000 N\n0.634439 0.114846 0.000000 N\n0.885154 0.885154 0.519592 N\n0.365561 0.365561 0.480408 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Li",
"N"
],
"chemical_system": "Li-N",
"density": 1.3519769846687442,
"density_atomic": 0.07773450745207512,
"volume": 102.91439750785274,
"volume_molar": 7.74706235028603,
"formula_full": "Li4 N4",
"formula_reduced": "LiN",
"formula_anonymous": "AB",
"energy": -32.97444748,
"energy_per_atom": -4.121805935,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.53044748,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.458000Z",
"spacegroup": 121
},
{
"id": "mp-1182022",
"created_at": "2022-09-04T14:45:08.835833Z",
"structure_string": "Bi4 Se4\n1.0\n7.639127 0.000000 0.000000\n0.000000 5.774935 0.000000\n0.000000 5.571305 6.148383\nBi Se\n4 4\ndirect\n0.816874 0.629498 0.888949 Bi\n0.683126 0.629498 0.388949 Bi\n0.183126 0.370502 0.111051 Bi\n0.316874 0.370502 0.611051 Bi\n0.849344 0.247684 0.783893 Se\n0.650656 0.247684 0.283893 Se\n0.150656 0.752316 0.216107 Se\n0.349344 0.752316 0.716107 Se\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Bi",
"Se"
],
"chemical_system": "Bi-Se",
"density": 7.051149921658852,
"density_atomic": 0.029494310185557072,
"volume": 271.238755870869,
"volume_molar": 20.41797459277062,
"formula_full": "Bi4 Se4",
"formula_reduced": "BiSe",
"formula_anonymous": "AB",
"energy": -32.97392897,
"energy_per_atom": -4.12174112125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.08592897,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.72e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.363000Z",
"spacegroup": 14
},
{
"id": "mp-1234383",
"created_at": "2022-09-04T14:42:41.709465Z",
"structure_string": "Rb2 Ba8 Mg1 Sb6 O2\n1.0\n8.619395 0.349394 -4.783309\n-1.424643 8.131488 -4.436865\n-0.788215 -0.482840 11.265744\nRb Ba Mg Sb O\n2 8 1 6 2\ndirect\n0.001455 0.997423 0.993507 Rb\n0.490681 0.513390 0.011520 Rb\n0.478495 0.693972 0.733233 Ba\n0.183461 0.009510 0.715244 Ba\n0.859504 0.018298 0.260649 Ba\n0.987843 0.473182 0.694772 Ba\n0.510018 0.305982 0.260333 Ba\n0.675149 0.206831 0.735780 Ba\n0.989617 0.503292 0.304702 Ba\n0.296876 0.804557 0.349235 Ba\n0.608106 0.982476 0.343263 Mg\n0.884574 0.618368 0.994249 Sb\n0.640130 0.145625 0.988385 Sb\n0.107377 0.384150 0.008541 Sb\n0.351744 0.869794 0.011654 Sb\n0.247642 0.264891 0.529194 Sb\n0.737980 0.777436 0.490741 Sb\n0.742171 0.201223 0.443194 O\n0.235749 0.751030 0.519305 O\n",
"nsites": 19,
"nelements": 5,
"elements": [
"Rb",
"Ba",
"Mg",
"Sb",
"O"
],
"chemical_system": "Ba-Mg-O-Rb-Sb",
"density": 4.589635055416385,
"density_atomic": 0.02553711369092499,
"volume": 744.0151706240766,
"volume_molar": 23.58191623722951,
"formula_full": "Rb2 Ba8 Mg1 Sb6 O2",
"formula_reduced": "Rb2Ba8Mg(Sb3O)2",
"formula_anonymous": "AB2C2D6E8",
"energy": -78.31282478,
"energy_per_atom": -4.12172762,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.78682478,
"band_gap": 0.5471999999999997,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0023135,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.572000Z",
"spacegroup": 1
},
{
"id": "mp-1233449",
"created_at": "2022-09-04T14:42:45.648728Z",
"structure_string": "Mg1 Tl2 Pb16 Br18 O8\n1.0\n8.445584 0.000000 -0.000000\n0.000000 12.610913 -0.000000\n0.000000 0.000000 12.610913\nMg Tl Pb Br O\n1 2 16 18 8\ndirect\n0.107289 0.750000 0.750000 Mg\n0.669481 0.750000 0.750000 Tl\n0.332131 0.250000 0.250000 Tl\n0.822410 0.334024 0.981636 Pb\n0.354924 0.194679 0.613340 Pb\n0.176524 0.665424 0.018536 Pb\n0.645025 0.386358 0.694304 Pb\n0.645025 0.113642 0.805696 Pb\n0.645025 0.805696 0.386358 Pb\n0.176524 0.834576 0.481464 Pb\n0.822410 0.981636 0.165976 Pb\n0.354924 0.613340 0.305321 Pb\n0.176524 0.481464 0.665424 Pb\n0.822410 0.165976 0.518364 Pb\n0.354924 0.886660 0.194679 Pb\n0.354924 0.305321 0.886660 Pb\n0.176524 0.018536 0.834576 Pb\n0.645025 0.694304 0.113642 Pb\n0.822410 0.518364 0.334024 Pb\n0.884797 0.867821 0.962992 Br\n0.113875 0.132967 0.037970 Br\n0.113875 0.462030 0.132967 Br\n0.599349 0.432014 0.130027 Br\n0.403208 0.567468 0.870494 Br\n0.403208 0.629506 0.567468 Br\n0.113875 0.367033 0.462030 Br\n0.113875 0.037970 0.367033 Br\n0.599349 0.067986 0.369973 Br\n0.000287 0.750000 0.250000 Br\n0.884797 0.962992 0.632179 Br\n0.403208 0.932532 0.629506 Br\n0.884797 0.537008 0.867821 Br\n0.599349 0.369973 0.432014 Br\n0.403208 0.870494 0.932532 Br\n0.884797 0.632179 0.537008 Br\n0.599349 0.130027 0.067986 Br\n0.000287 0.250000 0.750000 Br\n0.627857 0.204013 0.641794 O\n0.372007 0.141696 0.795912 O\n0.372007 0.704088 0.141696 O\n0.627857 0.641794 0.295987 O\n0.627857 0.858206 0.204013 O\n0.372007 0.358304 0.704088 O\n0.627857 0.295987 0.858206 O\n0.372007 0.795912 0.358304 O\n",
"nsites": 45,
"nelements": 5,
"elements": [
"Mg",
"Tl",
"Pb",
"Br",
"O"
],
"chemical_system": "Br-Mg-O-Pb-Tl",
"density": 6.57040188712705,
"density_atomic": 0.033503468377115146,
"volume": 1343.1445214411792,
"volume_molar": 17.974678598092485,
"formula_full": "Mg1 Tl2 Pb16 Br18 O8",
"formula_reduced": "MgTl2Pb16(Br9O4)2",
"formula_anonymous": "AB2C8D16E18",
"energy": -185.47689827,
"energy_per_atom": -4.121708850444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -179.98089827,
"band_gap": 1.3271000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.759000Z",
"spacegroup": 75
},
{
"id": "mp-10684",
"created_at": "2022-09-04T14:42:24.290915Z",
"structure_string": "Ca1 Te1\n1.0\n3.926050 0.000000 0.000000\n0.000000 3.926050 0.000000\n0.000000 0.000000 3.926050\nCa Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"Te"
],
"chemical_system": "Ca-Te",
"density": 4.601057958376834,
"density_atomic": 0.033049319147221326,
"volume": 60.51561882684513,
"volume_molar": 18.22167873768837,
"formula_full": "Ca1 Te1",
"formula_reduced": "CaTe",
"formula_anonymous": "AB",
"energy": -8.24308095,
"energy_per_atom": -4.121540475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.82108095,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001647,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:45.377000Z",
"spacegroup": 221
},
{
"id": "mp-1193534",
"created_at": "2022-09-04T14:42:17.814903Z",
"structure_string": "Y2 Be26\n1.0\n0.000000 5.092476 5.092476\n5.092476 0.000000 5.092476\n5.092476 5.092476 0.000000\nY Be\n2 26\ndirect\n0.250000 0.250000 0.250000 Y\n0.750000 0.750000 0.750000 Y\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Be\n0.790497 0.562978 0.209503 Be\n0.209503 0.437022 0.790497 Be\n0.562978 0.790497 0.437022 Be\n0.437022 0.209503 0.562978 Be\n0.290497 0.937022 0.709503 Be\n0.709503 0.062978 0.290497 Be\n0.937022 0.290497 0.062978 Be\n0.062978 0.709503 0.937022 Be\n0.209503 0.790497 0.562978 Be\n0.790497 0.209503 0.437022 Be\n0.437022 0.562978 0.790497 Be\n0.562978 0.437022 0.209503 Be\n0.709503 0.290497 0.937022 Be\n0.290497 0.709503 0.062978 Be\n0.062978 0.937022 0.290497 Be\n0.937022 0.062978 0.709503 Be\n0.562978 0.209503 0.790497 Be\n0.437022 0.790497 0.209503 Be\n0.790497 0.437022 0.562978 Be\n0.209503 0.562978 0.437022 Be\n0.937022 0.709503 0.290497 Be\n0.062978 0.290497 0.709503 Be\n0.290497 0.062978 0.937022 Be\n0.709503 0.937022 0.062978 Be\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Y",
"Be"
],
"chemical_system": "Be-Y",
"density": 2.5909838489777157,
"density_atomic": 0.10600859118184576,
"volume": 264.1295359917496,
"volume_molar": 5.680804445056437,
"formula_full": "Y2 Be26",
"formula_reduced": "YBe13",
"formula_anonymous": "AB13",
"energy": -115.39949518,
"energy_per_atom": -4.121410542142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -115.39949518,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003062,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:36.302000Z",
"spacegroup": 226
},
{
"id": "mp-27125",
"created_at": "2022-09-04T14:40:40.980326Z",
"structure_string": "Na6 Mn1 Cl8\n1.0\n0.000000 5.663793 5.663793\n5.663793 0.000000 5.663793\n5.663793 5.663793 0.000000\nNa Mn Cl\n6 1 8\ndirect\n0.000000 0.500000 0.000000 Na\n0.500000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Cl\n0.773169 0.226831 0.226831 Cl\n0.750000 0.750000 0.750000 Cl\n0.226831 0.773169 0.226831 Cl\n0.226831 0.773169 0.773169 Cl\n0.226831 0.226831 0.773169 Cl\n0.773169 0.773169 0.226831 Cl\n0.773169 0.226831 0.773169 Cl\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Na",
"Mn",
"Cl"
],
"chemical_system": "Cl-Mn-Na",
"density": 2.1775116726141377,
"density_atomic": 0.041279948441761236,
"volume": 363.3725468713307,
"volume_molar": 14.588537503859007,
"formula_full": "Na6 Mn1 Cl8",
"formula_reduced": "Na6MnCl8",
"formula_anonymous": "AB6C8",
"energy": -61.82098840999999,
"energy_per_atom": -4.121399227333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.90898841,
"band_gap": 2.5584,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0005648,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:04.370000Z",
"spacegroup": 225
},
{
"id": "mp-1209724",
"created_at": "2022-09-04T14:40:01.176856Z",
"structure_string": "Pr8 Al2\n1.0\n-5.771531 -5.771531 0.000000\n-5.771531 0.000000 -5.771531\n0.000000 -5.771531 -5.771531\nPr Al\n8 2\ndirect\n0.607179 0.607179 0.607179 Pr\n0.178462 0.607179 0.607179 Pr\n0.607179 0.178462 0.607179 Pr\n0.571538 0.142821 0.142821 Pr\n0.142821 0.142821 0.142821 Pr\n0.607179 0.607179 0.178462 Pr\n0.142821 0.571538 0.142821 Pr\n0.142821 0.142821 0.571538 Pr\n0.000000 0.000000 0.000000 Al\n0.750000 0.750000 0.750000 Al\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Pr",
"Al"
],
"chemical_system": "Al-Pr",
"density": 5.10127067585888,
"density_atomic": 0.026007398144846466,
"volume": 384.5059757345071,
"volume_molar": 23.15549108934346,
"formula_full": "Pr8 Al2",
"formula_reduced": "Pr4Al",
"formula_anonymous": "AB4",
"energy": -41.21362961,
"energy_per_atom": -4.121362961,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.21362961,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2684025,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.961000Z",
"spacegroup": 227
},
{
"id": "mp-11280",
"created_at": "2022-09-04T14:43:53.389695Z",
"structure_string": "Ti1 Be12\n1.0\n2.114393 -3.662236 0.000000\n2.114393 3.662236 0.000000\n0.000000 0.000000 7.329149\nTi Be\n1 12\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333333 0.666667 0.000000 Be\n0.666667 0.333333 0.000000 Be\n0.333333 0.666667 0.500000 Be\n0.666667 0.333333 0.500000 Be\n0.000000 0.000000 0.347494 Be\n0.000000 0.000000 0.652506 Be\n0.500000 0.000000 0.240556 Be\n0.500000 0.500000 0.240556 Be\n0.000000 0.500000 0.240556 Be\n0.500000 0.000000 0.759444 Be\n0.500000 0.500000 0.759444 Be\n0.000000 0.500000 0.759444 Be\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Ti",
"Be"
],
"chemical_system": "Be-Ti",
"density": 2.282416043395455,
"density_atomic": 0.11453224298176999,
"volume": 113.50515506859671,
"volume_molar": 5.258030929297822,
"formula_full": "Ti1 Be12",
"formula_reduced": "TiBe12",
"formula_anonymous": "AB12",
"energy": -53.57616525000001,
"energy_per_atom": -4.121243480769231,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.57616525000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017707,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:11.373000Z",
"spacegroup": 191
},
{
"id": "mp-1213114",
"created_at": "2022-09-04T14:41:28.756773Z",
"structure_string": "Cu2 Ag2 Ge2 Se6\n1.0\n6.094347 3.554468 0.000000\n-6.094347 3.554468 0.000000\n0.000000 2.654569 6.672287\nCu Ag Ge Se\n2 2 2 6\ndirect\n0.973965 0.808196 0.850814 Cu\n0.808196 0.973965 0.350814 Cu\n0.136206 0.646078 0.363236 Ag\n0.646078 0.136206 0.863236 Ag\n0.290440 0.457517 0.881367 Ge\n0.457517 0.290440 0.381367 Ge\n0.742698 0.241427 0.468634 Se\n0.241427 0.742698 0.968634 Se\n0.944320 0.079340 0.993003 Se\n0.079340 0.944320 0.493003 Se\n0.596666 0.445947 0.999945 Se\n0.445947 0.596666 0.499945 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Cu",
"Ag",
"Ge",
"Se"
],
"chemical_system": "Ag-Cu-Ge-Se",
"density": 5.525330404802138,
"density_atomic": 0.04151210388621789,
"volume": 289.07231570077147,
"volume_molar": 14.5069514580767,
"formula_full": "Cu2 Ag2 Ge2 Se6",
"formula_reduced": "CuAgGeSe3",
"formula_anonymous": "ABCD3",
"energy": -49.45475058000001,
"energy_per_atom": -4.1212292150000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.62275058,
"band_gap": 0.0447000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006131,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.517000Z",
"spacegroup": 9
},
{
"id": "mp-862690",
"created_at": "2022-09-04T14:41:27.414333Z",
"structure_string": "Ac4\n1.0\n2.010411 -3.482133 0.000000\n2.010411 3.482133 0.000000\n0.000000 0.000000 13.003380\nAc\n4\ndirect\n0.000000 0.000000 0.000000 Ac\n0.333333 0.666667 0.250000 Ac\n0.000000 0.000000 0.500000 Ac\n0.666667 0.333333 0.750000 Ac\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ac"
],
"chemical_system": "Ac",
"density": 8.281680834291894,
"density_atomic": 0.021970681819707145,
"volume": 182.06080415820784,
"volume_molar": 27.409894737988026,
"formula_full": "Ac4",
"formula_reduced": "Ac",
"formula_anonymous": "A",
"energy": -16.48470003,
"energy_per_atom": -4.1211750075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.48470003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0293319,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.106000Z",
"spacegroup": 194
}
]
}