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=-band_gap&page=12182",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-band_gap&page=12180",
"results": [
{
"id": "mp-7144",
"created_at": "2022-09-04T14:42:14.346903Z",
"structure_string": "Sm3 Al1 C1\n1.0\n5.024424 0.000000 0.000000\n0.000000 5.024424 0.000000\n0.000000 0.000000 5.024424\nSm Al C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Sm\n0.500000 0.000000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sm",
"Al",
"C"
],
"chemical_system": "Al-C-Sm",
"density": 6.415793167075604,
"density_atomic": 0.03941950442132995,
"volume": 126.84076254633209,
"volume_molar": 15.277058523194956,
"formula_full": "Sm3 Al1 C1",
"formula_reduced": "Sm3AlC",
"formula_anonymous": "ABC3",
"energy": -28.41271019,
"energy_per_atom": -5.682542037999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.41271019,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.93e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:39.992000Z",
"spacegroup": 221
},
{
"id": "mp-1239078",
"created_at": "2022-09-04T14:42:11.657360Z",
"structure_string": "Ho8 Bi16 C8\n1.0\n10.729442 0.000000 0.000000\n0.000000 10.729442 0.000000\n0.000000 0.000000 7.145487\nHo Bi C\n8 16 8\ndirect\n0.745253 0.245253 0.250000 Ho\n0.254747 0.754747 0.750000 Ho\n0.254747 0.754747 0.250000 Ho\n0.245253 0.254747 0.750000 Ho\n0.745253 0.245253 0.750000 Ho\n0.754747 0.745253 0.250000 Ho\n0.754747 0.745253 0.750000 Ho\n0.245253 0.254747 0.250000 Ho\n0.492751 0.157185 0.000000 Bi\n0.507249 0.842815 0.000000 Bi\n0.157185 0.507249 0.500000 Bi\n0.992751 0.342815 0.000000 Bi\n0.842815 0.492751 0.500000 Bi\n0.007249 0.657185 0.000000 Bi\n0.657185 0.992751 0.500000 Bi\n0.342815 0.007249 0.500000 Bi\n0.171298 0.002816 0.000000 Bi\n0.828702 0.997184 0.000000 Bi\n0.002816 0.828702 0.500000 Bi\n0.671298 0.497184 0.000000 Bi\n0.997184 0.171298 0.500000 Bi\n0.328702 0.502816 0.000000 Bi\n0.502816 0.671298 0.500000 Bi\n0.497184 0.328702 0.500000 Bi\n0.497701 0.365131 0.000000 C\n0.502299 0.634869 0.000000 C\n0.365131 0.502299 0.500000 C\n0.997701 0.134869 0.000000 C\n0.634869 0.497701 0.500000 C\n0.002299 0.865131 0.000000 C\n0.865131 0.997701 0.500000 C\n0.134869 0.002299 0.500000 C\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Ho",
"Bi",
"C"
],
"chemical_system": "Bi-C-Ho",
"density": 9.607231940861332,
"density_atomic": 0.03890127825248796,
"volume": 822.5950775268784,
"volume_molar": 15.48057295421867,
"formula_full": "Ho8 Bi16 C8",
"formula_reduced": "HoBi2C",
"formula_anonymous": "ABC2",
"energy": -150.18597437,
"energy_per_atom": -4.6933116990625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -150.18597437,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024946,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.455000Z",
"spacegroup": 135
},
{
"id": "mp-1097577",
"created_at": "2022-09-04T14:42:14.424909Z",
"structure_string": "Nb2 Tc1 Rh1\n1.0\n-4.506729 5.348072 7.351751\n4.506729 -5.348072 7.351751\n4.506729 5.348072 -7.351751\nNb Tc Rh\n2 1 1\ndirect\n0.000000 0.244384 0.244384 Nb\n0.000000 0.755616 0.755616 Nb\n0.000000 0.000000 0.000000 Tc\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"Tc",
"Rh"
],
"chemical_system": "Nb-Rh-Tc",
"density": 0.9060127443116208,
"density_atomic": 0.005643525887279275,
"volume": 708.7767611762274,
"volume_molar": 106.7088355805036,
"formula_full": "Nb2 Tc1 Rh1",
"formula_reduced": "Nb2TcRh",
"formula_anonymous": "ABC2",
"energy": -23.28565471,
"energy_per_atom": -5.8214136775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.28565471,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.4582415,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.699000Z",
"spacegroup": 71
},
{
"id": "mp-1186035",
"created_at": "2022-09-04T14:42:14.428466Z",
"structure_string": "Nd2 Tc6\n1.0\n3.367815 -5.833227 0.000000\n3.367815 5.833227 0.000000\n0.000000 0.000000 4.179106\nNd Tc\n2 6\ndirect\n0.666667 0.333333 0.250000 Nd\n0.333333 0.666667 0.750000 Nd\n0.869101 0.130899 0.750000 Tc\n0.261798 0.130899 0.750000 Tc\n0.869101 0.738202 0.750000 Tc\n0.130899 0.869101 0.250000 Tc\n0.738202 0.869101 0.250000 Tc\n0.130899 0.261798 0.250000 Tc\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Nd",
"Tc"
],
"chemical_system": "Nd-Tc",
"density": 8.863854188918602,
"density_atomic": 0.048721370950507006,
"volume": 164.19899202193426,
"volume_molar": 12.360368032577563,
"formula_full": "Nd2 Tc6",
"formula_reduced": "NdTc3",
"formula_anonymous": "AB3",
"energy": -68.70312764,
"energy_per_atom": -8.587890955,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.70312764,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004254,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.206000Z",
"spacegroup": 194
},
{
"id": "mp-1222819",
"created_at": "2022-09-04T14:42:14.346095Z",
"structure_string": "Li6 Co2 Ru2 O10\n1.0\n-4.485369 2.589629 -0.016854\n-1.503226 -7.782920 0.008427\n-1.480642 0.854848 4.833396\nLi Co Ru O\n6 2 2 10\ndirect\n0.000774 0.001547 0.000000 Li\n0.601644 0.203289 0.000000 Li\n0.200000 0.400000 0.000000 Li\n0.798356 0.596711 0.000000 Li\n0.399226 0.798453 0.000000 Li\n0.700000 0.400000 0.500000 Li\n0.897662 0.795324 0.500000 Co\n0.502338 0.004676 0.500000 Co\n0.300801 0.601603 0.500000 Ru\n0.099199 0.198397 0.500000 Ru\n0.860013 0.195874 0.270570 O\n0.428003 0.400000 0.266787 O\n0.064139 0.604126 0.270570 O\n0.632755 0.789930 0.266335 O\n0.242825 0.010070 0.266335 O\n0.539987 0.604126 0.729430 O\n0.157175 0.789930 0.733665 O\n0.767245 0.010070 0.733665 O\n0.335861 0.195874 0.729430 O\n0.971997 0.400000 0.733213 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Co",
"Ru",
"O"
],
"chemical_system": "Co-Li-O-Ru",
"density": 4.613371853691398,
"density_atomic": 0.10651803682856015,
"volume": 187.76162794090757,
"volume_molar": 5.653634763934472,
"formula_full": "Li6 Co2 Ru2 O10",
"formula_reduced": "Li3CoRuO5",
"formula_anonymous": "ABC3D5",
"energy": -128.06020212,
"energy_per_atom": -6.403010106000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -117.91420212,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9994272,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.586000Z",
"spacegroup": 12
},
{
"id": "mp-1210131",
"created_at": "2022-09-04T14:42:13.172935Z",
"structure_string": "Nd4 Bi4 Rh4\n1.0\n0.000000 -4.859052 0.000000\n-7.497789 0.000000 0.000000\n0.000000 0.000000 -7.919884\nNd Bi Rh\n4 4 4\ndirect\n0.750000 0.016040 0.297118 Nd\n0.250000 0.983960 0.702882 Nd\n0.250000 0.483960 0.797118 Nd\n0.750000 0.516040 0.202882 Nd\n0.750000 0.689904 0.592310 Bi\n0.250000 0.310096 0.407690 Bi\n0.250000 0.810096 0.092310 Bi\n0.750000 0.189904 0.907690 Bi\n0.750000 0.799853 0.928275 Rh\n0.250000 0.200147 0.071725 Rh\n0.250000 0.700147 0.428275 Rh\n0.750000 0.299853 0.571725 Rh\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nd",
"Bi",
"Rh"
],
"chemical_system": "Bi-Nd-Rh",
"density": 10.500068792816107,
"density_atomic": 0.041588922064539666,
"volume": 288.538375228332,
"volume_molar": 14.480155919055935,
"formula_full": "Nd4 Bi4 Rh4",
"formula_reduced": "NdBiRh",
"formula_anonymous": "ABC",
"energy": -72.68840305,
"energy_per_atom": -6.057366920833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.68840305,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009294,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.552000Z",
"spacegroup": 62
},
{
"id": "mp-1226666",
"created_at": "2022-09-04T14:42:14.651682Z",
"structure_string": "Ce1 Al1 Cu2 Ni2\n1.0\n2.546226 -4.238977 0.000000\n2.546226 4.238977 0.000000\n0.000000 0.000000 4.101794\nCe Al Cu Ni\n1 1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.664181 0.335819 0.000000 Ni\n0.335819 0.664181 0.000000 Ni\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Ce",
"Al",
"Cu",
"Ni"
],
"chemical_system": "Al-Ce-Cu-Ni",
"density": 7.718584215938087,
"density_atomic": 0.06776249692652772,
"volume": 88.54455299227787,
"volume_molar": 8.887129360846275,
"formula_full": "Ce1 Al1 Cu2 Ni2",
"formula_reduced": "CeAl(CuNi)2",
"formula_anonymous": "ABC2D2",
"energy": -31.60912943,
"energy_per_atom": -5.268188238333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.60912943,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4523909,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.546000Z",
"spacegroup": 65
},
{
"id": "mp-1224793",
"created_at": "2022-09-04T14:42:11.636535Z",
"structure_string": "Fe1 Pd2\n1.0\n1.358181 -2.352438 0.000000\n1.358181 2.352438 0.000000\n0.000000 0.000000 6.492349\nFe Pd\n1 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.333333 0.666667 0.683611 Pd\n0.666667 0.333333 0.316389 Pd\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Fe",
"Pd"
],
"chemical_system": "Fe-Pd",
"density": 10.754366405558697,
"density_atomic": 0.07231253136714466,
"volume": 41.48658528863305,
"volume_molar": 8.327935208663115,
"formula_full": "Fe1 Pd2",
"formula_reduced": "FePd2",
"formula_anonymous": "AB2",
"energy": -18.96627182,
"energy_per_atom": -6.3220906066666664,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.96627182,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.576678,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.300000Z",
"spacegroup": 164
},
{
"id": "mp-1278428",
"created_at": "2022-09-04T14:42:11.632661Z",
"structure_string": "Li2 V6 O8\n1.0\n2.133306 -4.331373 2.135479\n4.310616 0.002158 -4.310492\n2.137138 4.333005 2.134932\nLi V O\n2 6 8\ndirect\n0.000001 0.999978 0.999998 Li\n0.500001 0.500017 0.499999 Li\n0.499921 0.754135 0.000036 V\n0.000057 0.246945 0.499936 V\n0.999935 0.753051 0.500070 V\n0.500082 0.245871 0.999965 V\n0.499995 0.000020 0.500003 V\n0.000006 0.499957 0.000005 V\n0.754166 0.258280 0.755530 O\n0.245862 0.741716 0.244463 O\n0.245901 0.258243 0.244356 O\n0.754071 0.741749 0.755646 O\n0.251403 0.999918 0.752130 O\n0.760201 0.499941 0.235629 O\n0.239798 0.500220 0.764367 O\n0.748599 0.999960 0.247867 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"V",
"O"
],
"chemical_system": "Li-O-V",
"density": 4.65935515611419,
"density_atomic": 0.10031785441173498,
"volume": 159.49304432221143,
"volume_molar": 6.0030597696829755,
"formula_full": "Li2 V6 O8",
"formula_reduced": "LiV3O4",
"formula_anonymous": "AB3C4",
"energy": -133.89966957,
"energy_per_atom": -8.368729348125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -118.20366957,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9986966,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.456000Z",
"spacegroup": 65
},
{
"id": "mp-865484",
"created_at": "2022-09-04T14:42:14.748155Z",
"structure_string": "V2 Cr1 Re1\n1.0\n0.000000 2.984793 2.984793\n2.984793 0.000000 2.984793\n2.984793 2.984793 0.000000\nV Cr Re\n2 1 1\ndirect\n0.750000 0.750000 0.750000 V\n0.250000 0.250000 0.250000 V\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"Cr",
"Re"
],
"chemical_system": "Cr-Re-V",
"density": 10.618552804174003,
"density_atomic": 0.07521203563018551,
"volume": 53.18297751795784,
"volume_molar": 8.006884416226438,
"formula_full": "V2 Cr1 Re1",
"formula_reduced": "V2CrRe",
"formula_anonymous": "ABC2",
"energy": -41.26057217,
"energy_per_atom": -10.3151430425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.26057217,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0098617,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.949000Z",
"spacegroup": 225
},
{
"id": "mp-1210753",
"created_at": "2022-09-04T14:42:14.804104Z",
"structure_string": "Li4 Al2\n1.0\n2.298196 -4.811032 0.000000\n2.298196 4.811032 0.000000\n0.000000 0.000000 4.442822\nLi Al\n4 2\ndirect\n0.241475 0.758525 0.250000 Li\n0.758525 0.241475 0.750000 Li\n0.590925 0.409075 0.250000 Li\n0.409075 0.590925 0.750000 Li\n0.922945 0.077055 0.250000 Al\n0.077055 0.922945 0.750000 Al\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Li",
"Al"
],
"chemical_system": "Al-Li",
"density": 1.3813408192908319,
"density_atomic": 0.061071281189861416,
"volume": 98.2458511284036,
"volume_molar": 9.860839076354189,
"formula_full": "Li4 Al2",
"formula_reduced": "Li2Al",
"formula_anonymous": "AB2",
"energy": -16.10434414,
"energy_per_atom": -2.6840573566666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.10434414,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.29e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.924000Z",
"spacegroup": 63
},
{
"id": "mp-20051",
"created_at": "2022-09-04T14:42:11.621260Z",
"structure_string": "Ce2 B2 Pt8\n1.0\n2.740309 -4.746354 0.000000\n2.740309 4.746354 0.000000\n0.000000 0.000000 7.730311\nCe B Pt\n2 2 8\ndirect\n0.000000 0.000000 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.666667 0.333333 0.500000 B\n0.333333 0.666667 0.500000 B\n0.666667 0.333333 0.000000 Pt\n0.500000 0.500000 0.300076 Pt\n0.500000 0.000000 0.300076 Pt\n0.500000 0.000000 0.699924 Pt\n0.500000 0.500000 0.699924 Pt\n0.000000 0.500000 0.699924 Pt\n0.333333 0.666667 0.000000 Pt\n0.000000 0.500000 0.300076 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ce",
"B",
"Pt"
],
"chemical_system": "B-Ce-Pt",
"density": 15.380300328891527,
"density_atomic": 0.059675301312519045,
"volume": 201.08821800758244,
"volume_molar": 10.091512950160235,
"formula_full": "Ce2 B2 Pt8",
"formula_reduced": "CeBPt4",
"formula_anonymous": "ABC4",
"energy": -82.9211161,
"energy_per_atom": -6.910093008333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.9211161,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7152507,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:38.381000Z",
"spacegroup": 191
}
]
}