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=elements&page=86",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=84",
"results": [
{
"id": "mp-16240",
"created_at": "2022-09-04T14:48:05.634912Z",
"structure_string": "Ag6 Sb2\n1.0\n4.948358 0.000000 0.000000\n0.000000 5.318272 0.000000\n0.000000 0.000000 6.084502\nAg Sb\n6 2\ndirect\n0.500000 0.329829 0.000000 Ag\n0.000000 0.670171 0.500000 Ag\n0.000000 0.155892 0.252233 Ag\n0.500000 0.844108 0.247767 Ag\n0.000000 0.155892 0.747767 Ag\n0.500000 0.844108 0.752233 Ag\n0.000000 0.669053 0.000000 Sb\n0.500000 0.330947 0.500000 Sb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ag",
"Sb"
],
"chemical_system": "Ag-Sb",
"density": 9.237152029562061,
"density_atomic": 0.049961249513559056,
"volume": 160.12409773356185,
"volume_molar": 12.05362319524383,
"formula_full": "Ag6 Sb2",
"formula_reduced": "Ag3Sb",
"formula_anonymous": "AB3",
"energy": -25.44295406,
"energy_per_atom": -3.1803692575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.05895406,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006814,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:24.906000Z",
"spacegroup": 59
},
{
"id": "mp-754954",
"created_at": "2022-09-04T14:40:14.224719Z",
"structure_string": "Ag8 Se4\n1.0\n4.679935 0.000000 0.000000\n0.000000 7.389328 0.000000\n0.000000 0.000000 7.797196\nAg Se\n8 4\ndirect\n0.994467 0.366233 0.459162 Ag\n0.510578 0.832455 0.287927 Ag\n0.489422 0.332455 0.212073 Ag\n0.005533 0.866233 0.040838 Ag\n0.494467 0.133767 0.540838 Ag\n0.010578 0.667545 0.712073 Ag\n0.989422 0.167545 0.787927 Ag\n0.505533 0.633767 0.959162 Ag\n0.503203 0.044923 0.015907 Se\n0.496797 0.544923 0.484093 Se\n0.003203 0.455077 0.984093 Se\n0.996797 0.955077 0.515907 Se\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ag",
"Se"
],
"chemical_system": "Ag-Se",
"density": 7.259399584691568,
"density_atomic": 0.0445038956843781,
"volume": 269.63931618715077,
"volume_molar": 13.531715970909739,
"formula_full": "Ag8 Se4",
"formula_reduced": "Ag2Se",
"formula_anonymous": "AB2",
"energy": -39.27803588,
"energy_per_atom": -3.2731696566666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.39003588,
"band_gap": 0.1383999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.67e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.183000Z",
"spacegroup": 19
},
{
"id": "mp-568936",
"created_at": "2022-09-04T14:41:33.076615Z",
"structure_string": "Ag8 Se4\n1.0\n4.497481 0.000000 0.000000\n0.000000 7.113255 0.000000\n0.000000 0.000000 7.670682\nAg Se\n8 4\ndirect\n0.022006 0.226464 0.864601 Ag\n0.654542 0.884948 0.952441 Ag\n0.477994 0.773536 0.364601 Ag\n0.154542 0.615052 0.047559 Ag\n0.845458 0.115052 0.452441 Ag\n0.977994 0.726464 0.635399 Ag\n0.345458 0.384948 0.547559 Ag\n0.522006 0.273536 0.135399 Ag\n0.878799 0.496773 0.345555 Se\n0.121201 0.996773 0.154445 Se\n0.378799 0.003227 0.654445 Se\n0.621201 0.503227 0.845555 Se\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ag",
"Se"
],
"chemical_system": "Ag-Se",
"density": 7.976497353968593,
"density_atomic": 0.04890007803349462,
"volume": 245.39838140504548,
"volume_molar": 12.315196625811256,
"formula_full": "Ag8 Se4",
"formula_reduced": "Ag2Se",
"formula_anonymous": "AB2",
"energy": -39.33835712,
"energy_per_atom": -3.2781964266666663,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.45035712,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007577,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:24.185000Z",
"spacegroup": 19
},
{
"id": "mp-32758",
"created_at": "2022-09-04T14:41:02.923147Z",
"structure_string": "Ag4 Se2\n1.0\n2.479695 -3.636743 0.000000\n2.479695 3.636743 0.000000\n0.000000 0.000000 7.220818\nAg Se\n4 2\ndirect\n0.850619 0.149381 0.359787 Ag\n0.649381 0.350619 0.859787 Ag\n0.350619 0.649381 0.140213 Ag\n0.149381 0.850619 0.640213 Ag\n0.500000 0.500000 0.500000 Se\n0.000000 0.000000 0.000000 Se\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ag",
"Se"
],
"chemical_system": "Ag-Se",
"density": 7.514959619881475,
"density_atomic": 0.04607061163856962,
"volume": 130.23486744805643,
"volume_molar": 13.07154506053563,
"formula_full": "Ag4 Se2",
"formula_reduced": "Ag2Se",
"formula_anonymous": "AB2",
"energy": -19.45732027,
"energy_per_atom": -3.242886711666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.51332027,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003605,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.215000Z",
"spacegroup": 64
},
{
"id": "mp-568971",
"created_at": "2022-09-04T14:42:48.745235Z",
"structure_string": "Ag8 Se4\n1.0\n4.970403 0.000000 0.000000\n0.000000 7.146829 0.000000\n0.000000 0.000000 7.774308\nAg Se\n8 4\ndirect\n0.250000 0.257949 0.973786 Ag\n0.750000 0.742051 0.026214 Ag\n0.250000 0.613848 0.210906 Ag\n0.750000 0.757949 0.526214 Ag\n0.750000 0.113848 0.289094 Ag\n0.750000 0.386152 0.789094 Ag\n0.250000 0.886152 0.710906 Ag\n0.250000 0.242051 0.473787 Ag\n0.750000 0.515138 0.283504 Se\n0.750000 0.984862 0.783504 Se\n0.250000 0.015138 0.216496 Se\n0.250000 0.484862 0.716496 Se\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ag",
"Se"
],
"chemical_system": "Ag-Se",
"density": 7.087893497811947,
"density_atomic": 0.04345247415692531,
"volume": 276.1637911954774,
"volume_molar": 13.859143528286781,
"formula_full": "Ag8 Se4",
"formula_reduced": "Ag2Se",
"formula_anonymous": "AB2",
"energy": -39.25718313,
"energy_per_atom": -3.2714319275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.36918313,
"band_gap": 0.9678,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00047,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.698000Z",
"spacegroup": 62
},
{
"id": "mp-568889",
"created_at": "2022-09-04T14:44:26.574879Z",
"structure_string": "Ag8 Se4\n1.0\n4.582241 0.000000 0.000000\n0.000000 7.348443 0.000000\n0.000000 0.000000 7.937636\nAg Se\n8 4\ndirect\n0.005544 0.102896 0.244146 Ag\n0.994456 0.102896 0.755854 Ag\n0.500000 0.609052 0.000000 Ag\n0.494456 0.897104 0.244146 Ag\n0.000000 0.390948 0.000000 Ag\n0.000000 0.385067 0.500000 Ag\n0.505544 0.897104 0.755854 Ag\n0.500000 0.614933 0.500000 Ag\n0.519981 0.294451 0.250649 Se\n0.480019 0.294451 0.749351 Se\n0.019981 0.705549 0.749351 Se\n0.980019 0.705549 0.250649 Se\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ag",
"Se"
],
"chemical_system": "Ag-Se",
"density": 7.323513446110628,
"density_atomic": 0.04489694700594103,
"volume": 267.2787527938612,
"volume_molar": 13.41325226234896,
"formula_full": "Ag8 Se4",
"formula_reduced": "Ag2Se",
"formula_anonymous": "AB2",
"energy": -37.82371779,
"energy_per_atom": -3.1519764825000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.93571779,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025804,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:40.366000Z",
"spacegroup": 17
},
{
"id": "mp-1183005",
"created_at": "2022-09-04T14:39:43.888783Z",
"structure_string": "Ag8 Se4\n1.0\n4.890784 0.000000 0.000000\n0.000000 6.672922 0.000000\n0.000000 0.000000 11.136314\nAg Se\n8 4\ndirect\n0.546353 0.028262 0.148245 Ag\n0.046353 0.471738 0.851755 Ag\n0.453647 0.528262 0.351755 Ag\n0.953647 0.971738 0.648245 Ag\n0.517061 0.693209 0.749266 Ag\n0.017061 0.806791 0.250734 Ag\n0.482939 0.193209 0.750734 Ag\n0.982939 0.306791 0.249266 Ag\n0.449792 0.943161 0.581518 Se\n0.949792 0.556839 0.418482 Se\n0.550208 0.443161 0.918482 Se\n0.050208 0.056839 0.081518 Se\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ag",
"Se"
],
"chemical_system": "Ag-Se",
"density": 5.385771457098787,
"density_atomic": 0.03301758062912983,
"volume": 363.4427408473707,
"volume_molar": 18.2391945298589,
"formula_full": "Ag8 Se4",
"formula_reduced": "Ag2Se",
"formula_anonymous": "AB2",
"energy": -38.71119477,
"energy_per_atom": -3.2259328975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.82319477,
"band_gap": 1.7115,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0009395,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.993000Z",
"spacegroup": 19
},
{
"id": "mp-1247874",
"created_at": "2022-09-04T14:39:28.282645Z",
"structure_string": "Ag6 Se3\n1.0\n9.752244 1.088523 -2.693636\n-4.636439 8.979046 -4.578926\n1.092131 -4.904438 27.814256\nAg Se\n6 3\ndirect\n0.518577 0.498640 0.671928 Ag\n0.732977 0.500747 0.744079 Ag\n0.500613 0.500589 0.333651 Ag\n0.750173 0.251285 0.500869 Ag\n0.625337 0.996899 0.123637 Ag\n0.625427 0.376218 0.000755 Ag\n0.999157 0.998740 -0.000098 Se\n0.998747 0.000383 0.666774 Se\n0.998992 0.001500 0.333405 Se\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Ag",
"Se"
],
"chemical_system": "Ag-Se",
"density": 0.6336967962569451,
"density_atomic": 0.0038848910005746576,
"volume": 2316.6673141328056,
"volume_molar": 155.0144073310988,
"formula_full": "Ag6 Se3",
"formula_reduced": "Ag2Se",
"formula_anonymous": "AB2",
"energy": -8.08662256,
"energy_per_atom": -0.8985136177777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.67062256,
"band_gap": 0.0056000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.0496851,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.792000Z",
"spacegroup": 1
},
{
"id": "mp-1183249",
"created_at": "2022-09-04T14:47:15.065246Z",
"structure_string": "Ag6 Se2\n1.0\n3.013150 -5.218930 0.000000\n3.013150 5.218930 0.000000\n0.000000 0.000000 4.851593\nAg Se\n6 2\ndirect\n0.162504 0.325009 0.250000 Ag\n0.674991 0.837496 0.250000 Ag\n0.162504 0.837496 0.250000 Ag\n0.837496 0.674991 0.750000 Ag\n0.325009 0.162504 0.750000 Ag\n0.837496 0.162504 0.750000 Ag\n0.333333 0.666667 0.750000 Se\n0.666667 0.333333 0.250000 Se\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ag",
"Se"
],
"chemical_system": "Ag-Se",
"density": 8.76189601499747,
"density_atomic": 0.05242922119335125,
"volume": 152.58666480085938,
"volume_molar": 11.486229669121407,
"formula_full": "Ag6 Se2",
"formula_reduced": "Ag3Se",
"formula_anonymous": "AB3",
"energy": -24.76944248,
"energy_per_atom": -3.09618031,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.82544248,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001727,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:04.464000Z",
"spacegroup": 194
},
{
"id": "mp-1229100",
"created_at": "2022-09-04T14:41:19.287800Z",
"structure_string": "Ag2 Se1\n1.0\n-2.303267 2.303267 -3.181388\n2.303267 -2.303267 -3.181388\n-2.303267 -2.303267 -3.181388\nAg Se\n2 1\ndirect\n0.750000 0.250000 0.500000 Ag\n0.250000 0.750000 0.500000 Ag\n0.000000 0.000000 0.000000 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ag",
"Se"
],
"chemical_system": "Ag-Se",
"density": 7.248676656330144,
"density_atomic": 0.04443815855561689,
"volume": 67.50954804406058,
"volume_molar": 13.551733365510517,
"formula_full": "Ag2 Se1",
"formula_reduced": "Ag2Se",
"formula_anonymous": "AB2",
"energy": -9.75855842,
"energy_per_atom": -3.2528528066666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.28655842,
"band_gap": 0.0908000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003142,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.833000Z",
"spacegroup": 225
},
{
"id": "mp-1101086",
"created_at": "2022-09-04T14:39:47.681377Z",
"structure_string": "Ag2 Se10\n1.0\n9.652515 5.591606 0.000000\n-9.652515 5.591606 0.000000\n0.000000 3.578689 5.911053\nAg Se\n2 10\ndirect\n0.366776 0.334194 0.704559 Ag\n0.334194 0.366776 0.204559 Ag\n0.141615 0.280036 0.029480 Se\n0.280036 0.141615 0.529480 Se\n0.144603 0.496836 0.868287 Se\n0.496836 0.144603 0.368287 Se\n0.712508 0.406803 0.158293 Se\n0.406803 0.712508 0.658293 Se\n0.652514 0.518041 0.883987 Se\n0.518041 0.652514 0.383987 Se\n0.394618 0.631656 0.155496 Se\n0.631656 0.394618 0.655496 Se\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ag",
"Se"
],
"chemical_system": "Ag-Se",
"density": 2.616306428249072,
"density_atomic": 0.01880655938169983,
"volume": 638.0752457930655,
"volume_molar": 32.02149121364532,
"formula_full": "Ag2 Se10",
"formula_reduced": "AgSe5",
"formula_anonymous": "AB5",
"energy": -44.25041969,
"energy_per_atom": -3.6875349741666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.53041969,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.03504,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:36.439000Z",
"spacegroup": 9
},
{
"id": "mp-379",
"created_at": "2022-09-04T14:41:14.736583Z",
"structure_string": "Ag1 Se1\n1.0\n0.000000 2.988606 2.988606\n2.988606 0.000000 2.988606\n2.988606 2.988606 0.000000\nAg Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.250000 0.250000 0.250000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"Se"
],
"chemical_system": "Ag-Se",
"density": 5.811062404994471,
"density_atomic": 0.03746226295614299,
"volume": 53.38705785983609,
"volume_molar": 16.075218859709864,
"formula_full": "Ag1 Se1",
"formula_reduced": "AgSe",
"formula_anonymous": "AB",
"energy": -6.62494527,
"energy_per_atom": -3.312472635,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.15294527,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001744,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:15.164000Z",
"spacegroup": 216
}
]
}