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&page=10138",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=10136",
"results": [
{
"id": "mp-753751",
"created_at": "2022-09-04T14:39:22.264020Z",
"structure_string": "Li2 Ag2 F4\n1.0\n-2.357464 2.357464 4.594339\n2.357464 -2.357464 4.594339\n2.357464 2.357464 -4.594339\nLi Ag F\n2 2 4\ndirect\n0.250000 0.750000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Ag\n0.750000 0.250000 0.500000 Ag\n0.460197 0.960197 0.500000 F\n0.710197 0.710197 0.000000 F\n0.039803 0.539803 0.500000 F\n0.289803 0.289803 0.000000 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Ag",
"F"
],
"chemical_system": "Ag-F-Li",
"density": 4.968740907246744,
"density_atomic": 0.07832796068348936,
"volume": 102.13466468668459,
"volume_molar": 7.6883665902326985,
"formula_full": "Li2 Ag2 F4",
"formula_reduced": "LiAgF2",
"formula_anonymous": "ABC2",
"energy": -33.87078201,
"energy_per_atom": -4.23384775125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.02278201,
"band_gap": 0.6332,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.43e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.094000Z",
"spacegroup": 141
},
{
"id": "mp-1184470",
"created_at": "2022-09-04T14:46:21.068358Z",
"structure_string": "Gd2 Zn1 In1\n1.0\n0.000000 3.719059 3.719059\n3.719059 0.000000 3.719059\n3.719059 3.719059 0.000000\nGd Zn In\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Gd\n0.750000 0.750000 0.750000 Gd\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Gd",
"Zn",
"In"
],
"chemical_system": "Gd-In-Zn",
"density": 7.985194706436315,
"density_atomic": 0.038880405989391756,
"volume": 102.87958415586945,
"volume_molar": 15.488883427922792,
"formula_full": "Gd2 Zn1 In1",
"formula_reduced": "Gd2ZnIn",
"formula_anonymous": "ABC2",
"energy": -33.86948265,
"energy_per_atom": -8.4673706625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.86948265,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.9540733,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.386000Z",
"spacegroup": 225
},
{
"id": "mp-795639",
"created_at": "2022-09-04T14:48:00.236392Z",
"structure_string": "Rb2 Be4 Pt3\n1.0\n0.000000 5.092318 6.449121\n3.278163 0.000000 6.449121\n3.278163 5.092318 0.000000\nRb Be Pt\n2 4 3\ndirect\n0.348684 0.348684 0.651316 Rb\n0.651316 0.651316 0.348684 Rb\n0.077971 0.723624 0.276376 Be\n0.922029 0.276376 0.723624 Be\n0.276376 0.922029 0.077971 Be\n0.723624 0.077971 0.922029 Be\n0.000000 0.000000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"Be",
"Pt"
],
"chemical_system": "Be-Pt-Rb",
"density": 6.10980386872789,
"density_atomic": 0.041799003483173336,
"volume": 215.3161379462803,
"volume_molar": 14.407378784578635,
"formula_full": "Rb2 Be4 Pt3",
"formula_reduced": "Rb2Be4Pt3",
"formula_anonymous": "A2B3C4",
"energy": -33.8675422,
"energy_per_atom": -3.7630602444444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.8675422,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.06e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.945000Z",
"spacegroup": 69
},
{
"id": "mp-1025248",
"created_at": "2022-09-04T14:46:57.450635Z",
"structure_string": "Tl1 Pd5 Se1\n1.0\n4.098824 0.000000 0.000000\n0.000000 4.098824 0.000000\n0.000000 0.000000 7.235186\nTl Pd Se\n1 5 1\ndirect\n0.500000 0.500000 0.000000 Tl\n0.000000 0.500000 0.286142 Pd\n0.000000 0.500000 0.713858 Pd\n0.500000 0.000000 0.286142 Pd\n0.500000 0.000000 0.713858 Pd\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Tl",
"Pd",
"Se"
],
"chemical_system": "Pd-Se-Tl",
"density": 11.13972897938768,
"density_atomic": 0.05758770864352534,
"volume": 121.55371632045338,
"volume_molar": 10.457336994041137,
"formula_full": "Tl1 Pd5 Se1",
"formula_reduced": "TlPd5Se",
"formula_anonymous": "ABC5",
"energy": -33.86715216,
"energy_per_atom": -4.838164594285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.39515216,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0058161,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:45.495000Z",
"spacegroup": 123
},
{
"id": "mp-1072880",
"created_at": "2022-09-04T14:44:19.275360Z",
"structure_string": "Nd4 Fe2\n1.0\n6.867589 -2.620960 0.000000\n6.867589 2.620960 0.000000\n5.867321 0.000000 4.428065\nNd Fe\n4 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Nd\n0.243773 0.243773 0.243773 Nd\n0.756227 0.756227 0.756227 Nd\n0.367740 0.367740 0.367740 Fe\n0.632260 0.632260 0.632260 Fe\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Nd",
"Fe"
],
"chemical_system": "Fe-Nd",
"density": 7.173713402297474,
"density_atomic": 0.037639390143261196,
"volume": 159.40747119342515,
"volume_molar": 15.99957049537419,
"formula_full": "Nd4 Fe2",
"formula_reduced": "Nd2Fe",
"formula_anonymous": "AB2",
"energy": -33.86637613,
"energy_per_atom": -5.644396021666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.86637613,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.507298,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:34.054000Z",
"spacegroup": 166
},
{
"id": "mp-1110938",
"created_at": "2022-09-04T14:40:30.638987Z",
"structure_string": "K2 Li1 Pr1 I6\n1.0\n0.000000 6.074276 6.074276\n6.074276 0.000000 6.074276\n6.074276 6.074276 0.000000\nK Li Pr I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Pr\n0.743438 0.256562 0.256562 I\n0.256562 0.256562 0.743438 I\n0.256562 0.743438 0.743438 I\n0.256562 0.743438 0.256562 I\n0.743438 0.256562 0.743438 I\n0.743438 0.743438 0.256562 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"Pr",
"I"
],
"chemical_system": "I-K-Li-Pr",
"density": 3.6581403066012235,
"density_atomic": 0.02230932552228557,
"volume": 448.2430448204563,
"volume_molar": 26.993827105997767,
"formula_full": "K2 Li1 Pr1 I6",
"formula_reduced": "K2LiPrI6",
"formula_anonymous": "ABC2D6",
"energy": -33.8662821,
"energy_per_atom": -3.38662821,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.5922821,
"band_gap": 2.9382,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0478454,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.792000Z",
"spacegroup": 225
},
{
"id": "mp-1028066",
"created_at": "2022-09-04T14:47:37.051916Z",
"structure_string": "Y1 Mg14 Sn1\n1.0\n6.516318 0.091218 0.000000\n-3.179162 5.506470 0.000000\n0.000000 0.000000 10.433191\nY Mg Sn\n1 14 1\ndirect\n0.162857 0.331428 0.125000 Y\n0.165437 0.332718 0.625000 Mg\n0.164309 0.832154 0.625000 Mg\n0.664422 0.328656 0.125000 Mg\n0.666750 0.334424 0.625000 Mg\n0.664422 0.835765 0.125000 Mg\n0.666750 0.832326 0.625000 Mg\n0.335782 0.167614 0.381381 Mg\n0.335782 0.167614 0.868619 Mg\n0.335782 0.668169 0.381381 Mg\n0.335782 0.668169 0.868619 Mg\n0.832341 0.166171 0.381012 Mg\n0.832341 0.166171 0.868988 Mg\n0.832389 0.666195 0.374258 Mg\n0.832389 0.666195 0.875742 Mg\n0.172463 0.836231 0.125000 Sn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn-Y",
"density": 2.410741396726785,
"density_atomic": 0.04239663873652441,
"volume": 377.388408063022,
"volume_molar": 14.204288215923984,
"formula_full": "Y1 Mg14 Sn1",
"formula_reduced": "YMg14Sn",
"formula_anonymous": "ABC14",
"energy": -33.86380175,
"energy_per_atom": -2.116487609375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.86380175,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.04e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:17.368000Z",
"spacegroup": 38
},
{
"id": "mp-864748",
"created_at": "2022-09-04T14:42:29.087234Z",
"structure_string": "Gd2 Mg1 In1\n1.0\n0.000000 3.791693 3.791693\n3.791693 0.000000 3.791693\n3.791693 3.791693 0.000000\nGd Mg In\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Gd\n0.750000 0.750000 0.750000 Gd\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Gd",
"Mg",
"In"
],
"chemical_system": "Gd-In-Mg",
"density": 6.9089916504611315,
"density_atomic": 0.03668854554828139,
"volume": 109.02585371600738,
"volume_molar": 16.414225938924137,
"formula_full": "Gd2 Mg1 In1",
"formula_reduced": "Gd2MgIn",
"formula_anonymous": "ABC2",
"energy": -33.86373247,
"energy_per_atom": -8.4659331175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.86373247,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.0206427,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.922000Z",
"spacegroup": 225
},
{
"id": "mp-1220645",
"created_at": "2022-09-04T14:45:56.447648Z",
"structure_string": "Nb3 Au1\n1.0\n1.756181 -2.213677 0.000000\n1.756181 2.213677 0.000000\n0.000000 0.000000 9.314665\nNb Au\n3 1\ndirect\n0.500000 0.500000 0.750673 Nb\n0.000000 0.000000 0.500000 Nb\n0.500000 0.500000 0.249327 Nb\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nb",
"Au"
],
"chemical_system": "Au-Nb",
"density": 10.906576218653324,
"density_atomic": 0.05523053224295774,
"volume": 72.42370908909766,
"volume_molar": 10.903644262395938,
"formula_full": "Nb3 Au1",
"formula_reduced": "Nb3Au",
"formula_anonymous": "AB3",
"energy": -33.86354254,
"energy_per_atom": -8.465885635,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.86354254,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0051374,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.502000Z",
"spacegroup": 65
},
{
"id": "mp-1184021",
"created_at": "2022-09-04T14:40:17.012185Z",
"structure_string": "Cu6 Ge2\n1.0\n2.645738 -4.582552 0.000000\n2.645738 4.582552 0.000000\n0.000000 0.000000 4.213635\nCu Ge\n6 2\ndirect\n0.164811 0.329623 0.250000 Cu\n0.670377 0.835189 0.250000 Cu\n0.164811 0.835189 0.250000 Cu\n0.835189 0.670377 0.750000 Cu\n0.329623 0.164811 0.750000 Cu\n0.835189 0.164811 0.750000 Cu\n0.333333 0.666667 0.750000 Ge\n0.666667 0.333333 0.250000 Ge\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cu",
"Ge"
],
"chemical_system": "Cu-Ge",
"density": 8.557610547331103,
"density_atomic": 0.07829767060384535,
"volume": 102.17417629799967,
"volume_molar": 7.691340896295121,
"formula_full": "Cu6 Ge2",
"formula_reduced": "Cu3Ge",
"formula_anonymous": "AB3",
"energy": -33.8620493,
"energy_per_atom": -4.2327561625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.8620493,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014871,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.498000Z",
"spacegroup": 194
},
{
"id": "mp-865640",
"created_at": "2022-09-04T14:41:19.729995Z",
"structure_string": "Ti1 Ge1 Ru2\n1.0\n0.000000 3.068004 3.068004\n3.068004 0.000000 3.068004\n3.068004 3.068004 0.000000\nTi Ge Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ge\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Ge",
"Ru"
],
"chemical_system": "Ge-Ru-Ti",
"density": 9.276389350618215,
"density_atomic": 0.06925676969975633,
"volume": 57.75608676727054,
"volume_molar": 8.695382106481915,
"formula_full": "Ti1 Ge1 Ru2",
"formula_reduced": "TiGeRu2",
"formula_anonymous": "ABC2",
"energy": -33.86023714,
"energy_per_atom": -8.465059285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.86023714,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0044535,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.839000Z",
"spacegroup": 225
},
{
"id": "mp-754502",
"created_at": "2022-09-04T14:46:00.868094Z",
"structure_string": "Sm1 Y1 O2\n1.0\n6.599352 -1.859121 0.000000\n6.599352 1.859121 0.000000\n6.075614 0.000000 3.177214\nSm Y O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Y\n0.112294 0.112294 0.112294 O\n0.887706 0.887706 0.887706 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Y",
"O"
],
"chemical_system": "O-Sm-Y",
"density": 5.777725254782315,
"density_atomic": 0.05130675857533242,
"volume": 77.96243830385232,
"volume_molar": 11.737519436465359,
"formula_full": "Sm1 Y1 O2",
"formula_reduced": "SmYO2",
"formula_anonymous": "ABC2",
"energy": -33.859302480000004,
"energy_per_atom": -8.464825620000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.48530248,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001041,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.497000Z",
"spacegroup": 166
}
]
}