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=10404",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=10402",
"results": [
{
"id": "mp-1185398",
"created_at": "2022-09-04T14:40:07.367651Z",
"structure_string": "Li1 Pm2 Pb1\n1.0\n0.000000 3.824481 3.824481\n3.824481 0.000000 3.824481\n3.824481 3.824481 0.000000\nLi Pm Pb\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Pm\n0.750000 0.750000 0.750000 Pm\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Pm",
"Pb"
],
"chemical_system": "Li-Pb-Pm",
"density": 7.482618394438512,
"density_atomic": 0.035752998657317035,
"volume": 111.87872766530535,
"volume_molar": 16.843736151254376,
"formula_full": "Li1 Pm2 Pb1",
"formula_reduced": "LiPm2Pb",
"formula_anonymous": "ABC2",
"energy": -16.40982914,
"energy_per_atom": -4.102457285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.40982914,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0261399,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.701000Z",
"spacegroup": 225
},
{
"id": "mp-1111498",
"created_at": "2022-09-04T14:47:16.600282Z",
"structure_string": "K3 Au1 F6\n1.0\n0.000000 4.637567 4.637567\n4.637567 0.000000 4.637567\n4.637567 4.637567 0.000000\nK Au F\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Au\n0.769012 0.230988 0.230988 F\n0.230988 0.230988 0.769012 F\n0.230988 0.769012 0.769012 F\n0.230988 0.769012 0.230988 F\n0.769012 0.230988 0.769012 F\n0.769012 0.769012 0.230988 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Au",
"F"
],
"chemical_system": "Au-F-K",
"density": 3.564903655884026,
"density_atomic": 0.050130197228611326,
"volume": 199.4805636689695,
"volume_molar": 12.013000332986763,
"formula_full": "K3 Au1 F6",
"formula_reduced": "K3AuF6",
"formula_anonymous": "AB3C6",
"energy": -41.02453124,
"energy_per_atom": -4.102453124,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.25253124,
"band_gap": 0.7349999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9989707,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.383000Z",
"spacegroup": 225
},
{
"id": "mp-1183867",
"created_at": "2022-09-04T14:47:25.640871Z",
"structure_string": "Ce2 Cd1 In1\n1.0\n0.000000 3.840537 3.840537\n3.840537 0.000000 3.840537\n3.840537 3.840537 0.000000\nCe Cd In\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ce\n0.250000 0.250000 0.250000 Ce\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ce",
"Cd",
"In"
],
"chemical_system": "Cd-Ce-In",
"density": 7.437824252997223,
"density_atomic": 0.035306456744593304,
"volume": 113.29372496753146,
"volume_molar": 17.056768974480025,
"formula_full": "Ce2 Cd1 In1",
"formula_reduced": "Ce2CdIn",
"formula_anonymous": "ABC2",
"energy": -16.40981085,
"energy_per_atom": -4.1024527125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.40981085,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.2459148,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.099000Z",
"spacegroup": 225
},
{
"id": "mp-554921",
"created_at": "2022-09-04T14:42:04.501102Z",
"structure_string": "Hg2 Bi4 S8\n1.0\n2.052468 7.256728 0.000000\n-2.052468 7.256728 0.000000\n0.000000 6.873216 12.519000\nHg Bi S\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Hg\n0.000000 0.000000 0.500000 Hg\n0.348351 0.348351 0.863900 Bi\n0.776489 0.776489 0.368599 Bi\n0.651649 0.651649 0.136100 Bi\n0.223511 0.223511 0.631401 Bi\n0.000923 0.000923 0.168068 S\n0.691977 0.691977 0.936290 S\n0.156118 0.156118 0.329618 S\n0.308023 0.308023 0.063710 S\n0.999077 0.999077 0.831932 S\n0.371360 0.371360 0.427590 S\n0.843882 0.843882 0.670382 S\n0.628640 0.628640 0.572410 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Hg",
"Bi",
"S"
],
"chemical_system": "Bi-Hg-S",
"density": 6.650783461820673,
"density_atomic": 0.03754146020604375,
"volume": 372.92102979377876,
"volume_molar": 16.041306669873496,
"formula_full": "Hg2 Bi4 S8",
"formula_reduced": "Hg(BiS2)2",
"formula_anonymous": "AB2C4",
"energy": -57.43424814,
"energy_per_atom": -4.1024462957142855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.41024814,
"band_gap": 1.1861000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0028165,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:35.064000Z",
"spacegroup": 12
},
{
"id": "mp-30728",
"created_at": "2022-09-04T14:42:09.152459Z",
"structure_string": "Ho1 In1\n1.0\n3.744119 0.000000 0.000000\n0.000000 3.744119 0.000000\n0.000000 0.000000 3.744119\nHo In\n1 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 In\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ho",
"In"
],
"chemical_system": "Ho-In",
"density": 8.850496892466294,
"density_atomic": 0.038104920952371474,
"volume": 52.486659203410035,
"volume_molar": 15.804102487254237,
"formula_full": "Ho1 In1",
"formula_reduced": "HoIn",
"formula_anonymous": "AB",
"energy": -8.2048193,
"energy_per_atom": -4.10240965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.2048193,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.49e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:40.417000Z",
"spacegroup": 221
},
{
"id": "mp-865894",
"created_at": "2022-09-04T14:41:01.745211Z",
"structure_string": "Yb1 Pm1 Au2\n1.0\n0.000000 3.644715 3.644715\n3.644715 0.000000 3.644715\n3.644715 3.644715 0.000000\nYb Pm Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Pm\n0.250000 0.250000 0.250000 Au\n0.750000 0.750000 0.750000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Pm",
"Au"
],
"chemical_system": "Au-Pm-Yb",
"density": 12.209334374702905,
"density_atomic": 0.04130848555456406,
"volume": 96.83240492359447,
"volume_molar": 14.578459314480074,
"formula_full": "Yb1 Pm1 Au2",
"formula_reduced": "YbPmAu2",
"formula_anonymous": "ABC2",
"energy": -16.40836658,
"energy_per_atom": -4.102091645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.40836658,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0100879,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.498000Z",
"spacegroup": 225
},
{
"id": "mp-1105368",
"created_at": "2022-09-04T14:43:36.952965Z",
"structure_string": "Nb2 Al2 Br16\n1.0\n4.519878 -9.339015 0.000000\n4.519878 9.339015 0.000000\n0.000000 0.000000 9.181731\nNb Al Br\n2 2 16\ndirect\n0.610202 0.389798 0.250000 Nb\n0.389798 0.610202 0.750000 Nb\n0.813014 0.186986 0.250000 Al\n0.186986 0.813014 0.750000 Al\n0.529952 0.071811 0.250000 Br\n0.071811 0.529952 0.750000 Br\n0.470048 0.928189 0.750000 Br\n0.928189 0.470048 0.250000 Br\n0.630874 0.369126 0.983257 Br\n0.369126 0.630874 0.016743 Br\n0.630874 0.369126 0.516743 Br\n0.369126 0.630874 0.483257 Br\n0.320043 0.260485 0.250000 Br\n0.260485 0.320043 0.750000 Br\n0.679957 0.739515 0.750000 Br\n0.739515 0.679957 0.250000 Br\n0.879479 0.120521 0.458349 Br\n0.120521 0.879479 0.541651 Br\n0.879479 0.120521 0.041651 Br\n0.120521 0.879479 0.958349 Br\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Nb",
"Al",
"Br"
],
"chemical_system": "Al-Br-Nb",
"density": 3.25242382743203,
"density_atomic": 0.025801660089310594,
"volume": 775.1439221651411,
"volume_molar": 23.34012904268482,
"formula_full": "Nb2 Al2 Br16",
"formula_reduced": "NbAlBr8",
"formula_anonymous": "ABC8",
"energy": -82.04157394999999,
"energy_per_atom": -4.1020786975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.49757395,
"band_gap": 1.5329,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0052118,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:23.215000Z",
"spacegroup": 63
},
{
"id": "mp-1111728",
"created_at": "2022-09-04T14:39:46.758293Z",
"structure_string": "Cs2 Na1 Ta1 Br6\n1.0\n0.000000 5.601791 5.601791\n5.601791 0.000000 5.601791\n5.601791 5.601791 0.000000\nCs Na Ta Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ta\n0.764136 0.235864 0.235864 Br\n0.235864 0.235864 0.764136 Br\n0.235864 0.764136 0.764136 Br\n0.235864 0.764136 0.235864 Br\n0.764136 0.235864 0.764136 Br\n0.764136 0.764136 0.235864 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Na",
"Ta",
"Br"
],
"chemical_system": "Br-Cs-Na-Ta",
"density": 4.483153083704776,
"density_atomic": 0.028443910267338616,
"volume": 351.5691023495716,
"volume_molar": 21.17198621215967,
"formula_full": "Cs2 Na1 Ta1 Br6",
"formula_reduced": "Cs2NaTaBr6",
"formula_anonymous": "ABC2D6",
"energy": -41.02019657,
"energy_per_atom": -4.1020196570000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.81619657,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9986857,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.342000Z",
"spacegroup": 225
},
{
"id": "mp-11335",
"created_at": "2022-09-04T14:46:34.179169Z",
"structure_string": "Be1 Se1\n1.0\n0.000000 2.462058 2.462058\n2.462058 0.000000 2.462058\n2.462058 2.462058 0.000000\nBe Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.500000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Be",
"Se"
],
"chemical_system": "Be-Se",
"density": 4.894063804237375,
"density_atomic": 0.06700468365721271,
"volume": 29.848659688205395,
"volume_molar": 8.98764150698553,
"formula_full": "Be1 Se1",
"formula_reduced": "BeSe",
"formula_anonymous": "AB",
"energy": -8.20402148,
"energy_per_atom": -4.10201074,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.73202148,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.331000Z",
"spacegroup": 225
},
{
"id": "mp-998422",
"created_at": "2022-09-04T14:43:14.282231Z",
"structure_string": "Cu2 Ag2 F6\n1.0\n4.847852 -2.844256 0.000000\n4.847852 2.844256 0.000000\n3.179114 0.000000 4.635159\nCu Ag F\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Ag\n0.819385 0.250000 0.680615 F\n0.680615 0.819385 0.250000 F\n0.250000 0.680615 0.819385 F\n0.319385 0.180615 0.750000 F\n0.180615 0.750000 0.319385 F\n0.750000 0.319385 0.180615 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cu",
"Ag",
"F"
],
"chemical_system": "Ag-Cu-F",
"density": 5.934449201168281,
"density_atomic": 0.07823252224468615,
"volume": 127.82407767351816,
"volume_molar": 7.697745882670997,
"formula_full": "Cu2 Ag2 F6",
"formula_reduced": "CuAgF3",
"formula_anonymous": "ABC3",
"energy": -41.01862777,
"energy_per_atom": -4.101862777,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.24662777,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9991051,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.841000Z",
"spacegroup": 167
},
{
"id": "mp-1210435",
"created_at": "2022-09-04T14:41:51.010125Z",
"structure_string": "Na2 Mn1 P2\n1.0\n2.713884 0.000000 0.000000\n0.000000 2.713884 0.000000\n0.000000 0.000000 13.401922\nNa Mn P\n2 1 2\ndirect\n0.500000 0.500000 0.620913 Na\n0.500000 0.500000 0.379087 Na\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.171662 P\n0.500000 0.500000 0.828338 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Na",
"Mn",
"P"
],
"chemical_system": "Mn-Na-P",
"density": 2.7398545031559975,
"density_atomic": 0.050654771094995533,
"volume": 98.70738514686482,
"volume_molar": 11.888595348119065,
"formula_full": "Na2 Mn1 P2",
"formula_reduced": "Na2MnP2",
"formula_anonymous": "AB2C2",
"energy": -20.50903983,
"energy_per_atom": -4.101807966,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.50903983,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.198373,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.545000Z",
"spacegroup": 123
},
{
"id": "mp-1078674",
"created_at": "2022-09-04T14:39:13.629388Z",
"structure_string": "Pr3 Hg3 Pd3\n1.0\n3.935482 -6.816454 0.000000\n3.935482 6.816454 0.000000\n0.000000 0.000000 3.981084\nPr Hg Pd\n3 3 3\ndirect\n0.398601 0.398601 0.500000 Pr\n0.601399 0.000000 0.500000 Pr\n0.000000 0.601399 0.500000 Pr\n0.736386 0.736386 0.000000 Hg\n0.263614 0.000000 0.000000 Hg\n0.000000 0.263614 0.000000 Hg\n0.666667 0.333333 0.000000 Pd\n0.333333 0.666667 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Pr",
"Hg",
"Pd"
],
"chemical_system": "Hg-Pd-Pr",
"density": 10.446739196252066,
"density_atomic": 0.042136138603544766,
"volume": 213.59337372321207,
"volume_molar": 14.292104021827427,
"formula_full": "Pr3 Hg3 Pd3",
"formula_reduced": "PrHgPd",
"formula_anonymous": "ABC",
"energy": -36.91531727,
"energy_per_atom": -4.101701918888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.91531727,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013724,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:33.169000Z",
"spacegroup": 189
}
]
}