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=10240",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=10238",
"results": [
{
"id": "mp-20902",
"created_at": "2022-09-04T14:44:18.359908Z",
"structure_string": "In2 Ag2 P4 Se12\n1.0\n3.294359 -5.705998 0.000000\n3.294359 5.705998 0.000000\n0.000000 0.000000 14.510906\nIn Ag P Se\n2 2 4 12\ndirect\n0.000000 0.000000 0.250000 In\n0.000000 0.000000 0.750000 In\n0.666667 0.333333 0.250000 Ag\n0.333333 0.666667 0.750000 Ag\n0.666667 0.333333 0.671286 P\n0.666667 0.333333 0.828714 P\n0.333333 0.666667 0.328714 P\n0.333333 0.666667 0.171286 P\n0.981881 0.320596 0.873068 Se\n0.338715 0.320596 0.626932 Se\n0.981881 0.661285 0.626932 Se\n0.679404 0.018119 0.626932 Se\n0.320596 0.338715 0.126932 Se\n0.661285 0.981881 0.126932 Se\n0.018119 0.679404 0.126932 Se\n0.661285 0.679404 0.373068 Se\n0.018119 0.338715 0.373068 Se\n0.320596 0.981881 0.373068 Se\n0.679404 0.661285 0.873068 Se\n0.338715 0.018119 0.873068 Se\n",
"nsites": 20,
"nelements": 4,
"elements": [
"In",
"Ag",
"P",
"Se"
],
"chemical_system": "Ag-In-P-Se",
"density": 4.616860577266934,
"density_atomic": 0.036660883912067524,
"volume": 545.5405834723116,
"volume_molar": 16.426610919813953,
"formula_full": "In2 Ag2 P4 Se12",
"formula_reduced": "InAg(PSe3)2",
"formula_anonymous": "ABC2D6",
"energy": -84.87733351,
"energy_per_atom": -4.2438666755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.21333351,
"band_gap": 0.6040999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014842,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:22.409000Z",
"spacegroup": 163
},
{
"id": "mp-1238935",
"created_at": "2022-09-04T14:41:20.204833Z",
"structure_string": "Mg2 N2 Cl6 O12\n1.0\n-6.034230 -2.451690 0.617785\n-6.034230 2.451690 0.617785\n3.195518 0.000000 -14.443935\nMg N Cl O\n2 2 6 12\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.667137 0.332863 0.750000 N\n0.332863 0.667137 0.250000 N\n0.500000 0.500000 0.000000 Cl\n0.500000 0.500000 0.500000 Cl\n0.740699 0.045056 0.771138 Cl\n0.954944 0.259301 0.728862 Cl\n0.259301 0.954944 0.228862 Cl\n0.045056 0.740699 0.271138 Cl\n0.452772 0.957855 0.965331 O\n0.042145 0.547228 0.534669 O\n0.547228 0.042145 0.034669 O\n0.957855 0.452772 0.465331 O\n0.958075 0.453375 0.965017 O\n0.546625 0.041925 0.534983 O\n0.041925 0.546625 0.034983 O\n0.453375 0.958075 0.465017 O\n0.041562 0.127310 0.137306 O\n0.872690 0.958438 0.362694 O\n0.958438 0.872690 0.862694 O\n0.127310 0.041562 0.637306 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Mg",
"N",
"Cl",
"O"
],
"chemical_system": "Cl-Mg-N-O",
"density": 1.9135633068461038,
"density_atomic": 0.05267077365405881,
"volume": 417.68894728024713,
"volume_molar": 11.43355288371758,
"formula_full": "Mg2 N2 Cl6 O12",
"formula_reduced": "MgN(ClO2)3",
"formula_anonymous": "ABC3D6",
"energy": -93.36496396,
"energy_per_atom": -4.243861998181818,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.43296395999998,
"band_gap": 0.0973,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0001676,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.014000Z",
"spacegroup": 15
},
{
"id": "mp-1209297",
"created_at": "2022-09-04T14:47:29.920966Z",
"structure_string": "Pr4 Zn4 Ge4\n1.0\n2.153633 -3.730201 0.000000\n2.153633 3.730201 0.000000\n0.000000 0.000000 16.887644\nPr Zn Ge\n4 4 4\ndirect\n0.000000 0.000000 0.250000 Pr\n0.000000 0.000000 0.750000 Pr\n0.000000 0.000000 0.000000 Pr\n0.000000 0.000000 0.500000 Pr\n0.333333 0.666667 0.137714 Zn\n0.666667 0.333333 0.862286 Zn\n0.666667 0.333333 0.637714 Zn\n0.333333 0.666667 0.362286 Zn\n0.333333 0.666667 0.618090 Ge\n0.666667 0.333333 0.381910 Ge\n0.666667 0.333333 0.118090 Ge\n0.333333 0.666667 0.881910 Ge\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Pr",
"Zn",
"Ge"
],
"chemical_system": "Ge-Pr-Zn",
"density": 6.828775187236349,
"density_atomic": 0.044226060296620476,
"volume": 271.33323473800306,
"volume_molar": 13.616724437153135,
"formula_full": "Pr4 Zn4 Ge4",
"formula_reduced": "PrZnGe",
"formula_anonymous": "ABC",
"energy": -50.92580797,
"energy_per_atom": -4.243817330833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.92580797,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0111789,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:09.120000Z",
"spacegroup": 194
},
{
"id": "mp-20331",
"created_at": "2022-09-04T14:46:26.116681Z",
"structure_string": "Cu4 Sb4 Se8\n1.0\n4.034491 0.000000 0.000000\n0.000000 6.456691 0.000000\n0.000000 0.000000 14.928576\nCu Sb Se\n4 4 8\ndirect\n0.750000 0.251489 0.670123 Cu\n0.250000 0.748511 0.329877 Cu\n0.750000 0.751489 0.829877 Cu\n0.250000 0.248511 0.170123 Cu\n0.750000 0.272115 0.442623 Sb\n0.250000 0.227885 0.942623 Sb\n0.750000 0.772115 0.057377 Sb\n0.250000 0.727885 0.557377 Sb\n0.250000 0.875690 0.175795 Se\n0.750000 0.873257 0.403673 Se\n0.750000 0.124310 0.824205 Se\n0.250000 0.375690 0.324205 Se\n0.750000 0.373257 0.096327 Se\n0.250000 0.126743 0.596327 Se\n0.250000 0.626743 0.903673 Se\n0.750000 0.624310 0.675795 Se\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cu",
"Sb",
"Se"
],
"chemical_system": "Cu-Sb-Se",
"density": 5.8623552253768345,
"density_atomic": 0.04114365271225502,
"volume": 388.88136918466284,
"volume_molar": 14.636864651072287,
"formula_full": "Cu4 Sb4 Se8",
"formula_reduced": "CuSbSe2",
"formula_anonymous": "ABC2",
"energy": -67.90074346,
"energy_per_atom": -4.24379646625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.12474346,
"band_gap": 0.4985999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0031406,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:39.266000Z",
"spacegroup": 62
},
{
"id": "mp-979430",
"created_at": "2022-09-04T14:46:11.526941Z",
"structure_string": "Y1 Lu1 Tl2\n1.0\n0.000000 3.777882 3.777882\n3.777882 0.000000 3.777882\n3.777882 3.777882 0.000000\nY Lu Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Lu\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Lu",
"Tl"
],
"chemical_system": "Lu-Tl-Y",
"density": 10.357531675447841,
"density_atomic": 0.037092390996252646,
"volume": 107.83882873455394,
"volume_molar": 16.235515150825414,
"formula_full": "Y1 Lu1 Tl2",
"formula_reduced": "YLuTl2",
"formula_anonymous": "ABC2",
"energy": -16.9749772,
"energy_per_atom": -4.2437443,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.9749772,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018475,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.505000Z",
"spacegroup": 225
},
{
"id": "mp-4840",
"created_at": "2022-09-04T14:41:13.118730Z",
"structure_string": "Ga2 Cu2 Se4\n1.0\n-2.833897 2.833897 5.627019\n2.833897 -2.833897 5.627019\n2.833897 2.833897 -5.627019\nGa Cu Se\n2 2 4\ndirect\n0.500000 0.500000 0.000000 Ga\n0.250000 0.750000 0.500000 Ga\n0.000000 0.000000 0.000000 Cu\n0.750000 0.250000 0.500000 Cu\n0.375000 0.369119 0.494119 Se\n0.630881 0.125000 0.005881 Se\n0.119119 0.625000 0.994119 Se\n0.875000 0.880881 0.505881 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ga",
"Cu",
"Se"
],
"chemical_system": "Cu-Ga-Se",
"density": 5.3499233806530135,
"density_atomic": 0.04425715485769224,
"volume": 180.76173278024305,
"volume_molar": 13.607157485301624,
"formula_full": "Ga2 Cu2 Se4",
"formula_reduced": "GaCuSe2",
"formula_anonymous": "ABC2",
"energy": -33.94915142,
"energy_per_atom": -4.2436439275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.06115142,
"band_gap": 0.0398,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 5.5e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:23.613000Z",
"spacegroup": 122
},
{
"id": "mp-998155",
"created_at": "2022-09-04T14:45:53.322847Z",
"structure_string": "Rb1 Sr1 Cl3\n1.0\n4.034603 4.030016 0.000000\n-4.034603 4.030016 0.000000\n0.000000 0.010572 5.698582\nRb Sr Cl\n1 1 3\ndirect\n0.997384 0.997384 0.001233 Rb\n0.497822 0.497822 0.515229 Sr\n0.998911 0.497980 0.516385 Cl\n0.511071 0.511071 0.015261 Cl\n0.497980 0.998911 0.516385 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Sr",
"Cl"
],
"chemical_system": "Cl-Rb-Sr",
"density": 2.5040549970421497,
"density_atomic": 0.026981471371617875,
"volume": 185.31235495405778,
"volume_molar": 22.319541722008385,
"formula_full": "Rb1 Sr1 Cl3",
"formula_reduced": "RbSrCl3",
"formula_anonymous": "ABC3",
"energy": -21.21771562,
"energy_per_atom": -4.243543124,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.37571562,
"band_gap": 4.621,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004622,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.363000Z",
"spacegroup": 8
},
{
"id": "mp-10952",
"created_at": "2022-09-04T14:40:14.749037Z",
"structure_string": "Cu2 Hg1 Ge1 S4\n1.0\n-2.779411 2.779411 5.305193\n2.779411 -2.779411 5.305193\n2.779411 2.779411 -5.305193\nCu Hg Ge S\n2 1 1 4\ndirect\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.000000 Ge\n0.861344 0.410365 0.000000 S\n0.589635 0.589635 0.450978 S\n0.410365 0.861344 0.000000 S\n0.138656 0.138656 0.549022 S\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Cu",
"Hg",
"Ge",
"S"
],
"chemical_system": "Cu-Ge-Hg-S",
"density": 5.354201903400196,
"density_atomic": 0.048800386741703144,
"volume": 163.93312705375496,
"volume_molar": 12.340354579308455,
"formula_full": "Cu2 Hg1 Ge1 S4",
"formula_reduced": "Cu2HgGeS4",
"formula_anonymous": "ABC2D4",
"energy": -33.94829242,
"energy_per_atom": -4.2435365525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.93629242,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.43e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:52.636000Z",
"spacegroup": 121
},
{
"id": "mp-1209047",
"created_at": "2022-09-04T14:47:55.587370Z",
"structure_string": "Rb1 Sr1 Cl3\n1.0\n5.696304 0.000000 0.000000\n0.000000 5.696304 0.000000\n0.000000 0.000000 5.696304\nRb Sr Cl\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.000000 Cl\n0.000000 0.500000 0.000000 Cl\n0.000000 0.000000 0.500000 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Sr",
"Cl"
],
"chemical_system": "Cl-Rb-Sr",
"density": 2.510549347487334,
"density_atomic": 0.02705144872068608,
"volume": 184.83298442262466,
"volume_molar": 22.26180498567866,
"formula_full": "Rb1 Sr1 Cl3",
"formula_reduced": "RbSrCl3",
"formula_anonymous": "ABC3",
"energy": -21.21767921,
"energy_per_atom": -4.243535842,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.37567921,
"band_gap": 4.6262,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005875,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.492000Z",
"spacegroup": 221
},
{
"id": "mp-1218953",
"created_at": "2022-09-04T14:43:59.023158Z",
"structure_string": "Sn1 Ge4 Te4 Se1\n1.0\n18.209239 -2.111391 0.000000\n18.209239 2.111391 0.000000\n17.964419 0.000000 3.648833\nSn Ge Te Se\n1 4 4 1\ndirect\n0.407557 0.407557 0.407557 Sn\n0.803153 0.803153 0.803153 Ge\n0.202686 0.202686 0.202686 Ge\n0.602410 0.602410 0.602410 Ge\n0.001987 0.001987 0.001987 Ge\n0.496690 0.496690 0.496690 Te\n0.896348 0.896348 0.896348 Te\n0.296001 0.296001 0.296001 Te\n0.695605 0.695605 0.695605 Te\n0.101041 0.101041 0.101041 Se\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sn",
"Ge",
"Te",
"Se"
],
"chemical_system": "Ge-Se-Sn-Te",
"density": 5.910296400961628,
"density_atomic": 0.035641465680194245,
"volume": 280.5720755068987,
"volume_molar": 16.896445320278925,
"formula_full": "Sn1 Ge4 Te4 Se1",
"formula_reduced": "SnGe4Te4Se",
"formula_anonymous": "ABC4D4",
"energy": -42.43446988,
"energy_per_atom": -4.2434469880000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.27446988,
"band_gap": 0.6132999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000272,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.648000Z",
"spacegroup": 160
},
{
"id": "mp-1095585",
"created_at": "2022-09-04T14:43:39.769482Z",
"structure_string": "Er2 Ga8 Fe1\n1.0\n4.246274 0.000000 0.000000\n0.000000 4.246274 0.000000\n0.000000 0.000000 11.043206\nEr Ga Fe\n2 8 1\ndirect\n0.000000 0.000000 0.695859 Er\n0.000000 0.000000 0.304141 Er\n0.500000 0.000000 0.884948 Ga\n0.000000 0.500000 0.884948 Ga\n0.500000 0.000000 0.115052 Ga\n0.000000 0.500000 0.115052 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.500000 0.500000 0.699058 Ga\n0.500000 0.500000 0.300942 Ga\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Er",
"Ga",
"Fe"
],
"chemical_system": "Er-Fe-Ga",
"density": 7.907033341649695,
"density_atomic": 0.05524353773546872,
"volume": 199.11831231144214,
"volume_molar": 10.901077314846777,
"formula_full": "Er2 Ga8 Fe1",
"formula_reduced": "Er2Ga8Fe",
"formula_anonymous": "AB2C8",
"energy": -46.67787720999999,
"energy_per_atom": -4.243443382727272,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.67787720999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006475,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:16.393000Z",
"spacegroup": 123
},
{
"id": "mp-1203883",
"created_at": "2022-09-04T14:46:14.658235Z",
"structure_string": "La8 In8 Cu40\n1.0\n5.138446 0.000000 0.000000\n0.000000 10.672224 0.000000\n0.000000 0.000000 16.925431\nLa In Cu\n8 8 40\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.000000 La\n0.000000 0.000000 0.500000 La\n0.500000 0.884087 0.745218 La\n0.500000 0.115913 0.254782 La\n0.000000 0.615913 0.245218 La\n0.000000 0.384087 0.754782 La\n0.500000 0.807698 0.552337 In\n0.500000 0.192302 0.447663 In\n0.000000 0.692302 0.052337 In\n0.000000 0.307698 0.947663 In\n0.500000 0.582835 0.806300 In\n0.500000 0.417165 0.193700 In\n0.000000 0.917165 0.306300 In\n0.000000 0.082835 0.693700 In\n0.500000 0.810213 0.033950 Cu\n0.500000 0.189787 0.966050 Cu\n0.000000 0.689787 0.533950 Cu\n0.000000 0.310213 0.466050 Cu\n0.500000 0.662778 0.152108 Cu\n0.500000 0.337222 0.847892 Cu\n0.000000 0.837222 0.652108 Cu\n0.000000 0.162778 0.347892 Cu\n0.500000 0.571032 0.331728 Cu\n0.500000 0.428968 0.668272 Cu\n0.000000 0.928968 0.831728 Cu\n0.000000 0.071032 0.168272 Cu\n0.500000 0.948179 0.404168 Cu\n0.500000 0.051821 0.595832 Cu\n0.000000 0.551821 0.904168 Cu\n0.000000 0.448179 0.095832 Cu\n0.250531 0.756023 0.907537 Cu\n0.250531 0.243977 0.092463 Cu\n0.249469 0.743977 0.407537 Cu\n0.249469 0.256023 0.592463 Cu\n0.749469 0.243977 0.092463 Cu\n0.749469 0.756023 0.907537 Cu\n0.750531 0.256023 0.592463 Cu\n0.750531 0.743977 0.407537 Cu\n0.249891 0.633196 0.658665 Cu\n0.249891 0.366804 0.341335 Cu\n0.250109 0.866804 0.158665 Cu\n0.250109 0.133196 0.841335 Cu\n0.750109 0.366804 0.341335 Cu\n0.750109 0.633196 0.658665 Cu\n0.749891 0.133196 0.841335 Cu\n0.749891 0.866804 0.158665 Cu\n0.500000 0.799828 0.283454 Cu\n0.500000 0.200172 0.716546 Cu\n0.000000 0.700172 0.783454 Cu\n0.000000 0.299828 0.216546 Cu\n0.500000 0.958156 0.913990 Cu\n0.500000 0.041844 0.086010 Cu\n0.000000 0.541844 0.413990 Cu\n0.000000 0.458156 0.586010 Cu\n",
"nsites": 56,
"nelements": 3,
"elements": [
"La",
"In",
"Cu"
],
"chemical_system": "Cu-In-La",
"density": 8.178873535214777,
"density_atomic": 0.060333922537956435,
"volume": 928.1677312588132,
"volume_molar": 9.98135129737576,
"formula_full": "La8 In8 Cu40",
"formula_reduced": "LaInCu5",
"formula_anonymous": "ABC5",
"energy": -237.63173144,
"energy_per_atom": -4.243423775714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -237.63173144,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012624,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:27.827000Z",
"spacegroup": 58
}
]
}