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=chemical_system&page=81",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=79",
"results": [
{
"id": "mp-725087",
"created_at": "2022-09-04T14:42:13.145720Z",
"structure_string": "Ag8 C16 Br12 N4\n1.0\n7.111520 0.000000 0.000000\n0.000000 9.552456 0.000000\n0.000000 0.000000 14.840282\nAg C Br N\n8 16 12 4\ndirect\n0.493971 0.098633 0.595960 Ag\n0.006029 0.401367 0.095960 Ag\n0.993971 0.901367 0.404040 Ag\n0.506029 0.598633 0.904040 Ag\n0.506029 0.901367 0.404040 Ag\n0.993971 0.598633 0.904040 Ag\n0.006029 0.098633 0.595960 Ag\n0.493971 0.401367 0.095960 Ag\n0.250000 0.406356 0.679616 C\n0.250000 0.093644 0.179616 C\n0.750000 0.593644 0.320384 C\n0.750000 0.906356 0.820384 C\n0.250000 0.490390 0.600008 C\n0.250000 0.009610 0.100008 C\n0.750000 0.509610 0.399992 C\n0.750000 0.990390 0.899992 C\n0.137144 0.617814 0.626904 C\n0.362856 0.882186 0.126904 C\n0.637144 0.382186 0.373096 C\n0.862856 0.117814 0.873096 C\n0.862856 0.382186 0.373096 C\n0.637144 0.117814 0.873096 C\n0.362856 0.617814 0.626904 C\n0.137144 0.882186 0.126904 C\n0.250000 0.129034 0.454529 Br\n0.250000 0.370966 0.954529 Br\n0.750000 0.870966 0.545471 Br\n0.750000 0.629034 0.045471 Br\n0.750000 0.291670 0.598691 Br\n0.750000 0.208330 0.098691 Br\n0.250000 0.708330 0.401309 Br\n0.250000 0.791670 0.901309 Br\n0.250000 0.977621 0.698601 Br\n0.250000 0.522379 0.198601 Br\n0.750000 0.022379 0.301399 Br\n0.750000 0.477621 0.801399 Br\n0.250000 0.551290 0.706781 N\n0.250000 0.948710 0.206781 N\n0.750000 0.448710 0.293219 N\n0.750000 0.051290 0.793219 N\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Ag",
"C",
"Br",
"N"
],
"chemical_system": "Ag-Br-C-N",
"density": 3.409557706414568,
"density_atomic": 0.03967713964533382,
"volume": 1008.1371882537946,
"volume_molar": 15.177860132637425,
"formula_full": "Ag8 C16 Br12 N4",
"formula_reduced": "Ag2C4Br3N",
"formula_anonymous": "AB2C3D4",
"energy": -180.19560756,
"energy_per_atom": -4.504890189,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -172.34360756,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.8548642,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:37.233000Z",
"spacegroup": 62
},
{
"id": "mp-1214977",
"created_at": "2022-09-04T14:39:24.568867Z",
"structure_string": "Ag4 C16 Br8 O8\n1.0\n5.817869 0.000000 0.000000\n0.000000 9.827713 0.000000\n0.000000 6.794825 11.104688\nAg C Br O\n4 16 8 8\ndirect\n0.786770 0.578150 0.495994 Ag\n0.213230 0.421850 0.504006 Ag\n0.286770 0.421850 0.004006 Ag\n0.713230 0.578150 0.995994 Ag\n0.369911 0.877503 0.500706 C\n0.630089 0.122497 0.499294 C\n0.869911 0.122497 0.999294 C\n0.130089 0.877503 0.000706 C\n0.840662 0.962925 0.091935 C\n0.159338 0.037075 0.908065 C\n0.340662 0.037075 0.408065 C\n0.659338 0.962925 0.591935 C\n0.738344 0.255827 0.999784 C\n0.261656 0.744173 0.000216 C\n0.238344 0.744173 0.500216 C\n0.761656 0.255827 0.499784 C\n0.972416 0.842954 0.092825 C\n0.027584 0.157046 0.907175 C\n0.472416 0.157046 0.407175 C\n0.527584 0.842954 0.592825 C\n0.946675 0.628760 0.222714 Br\n0.053325 0.371240 0.777286 Br\n0.446675 0.371240 0.277286 Br\n0.553325 0.628760 0.722714 Br\n0.620580 0.910279 0.214592 Br\n0.379420 0.089721 0.785408 Br\n0.120580 0.089721 0.285408 Br\n0.879420 0.910279 0.714592 Br\n0.855201 0.345109 0.024594 O\n0.144799 0.654891 0.975406 O\n0.355201 0.654891 0.475406 O\n0.644799 0.345109 0.524594 O\n0.474198 0.734346 0.023425 O\n0.525802 0.265654 0.976575 O\n0.974198 0.265654 0.476575 O\n0.025802 0.734346 0.523425 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Ag",
"C",
"Br",
"O"
],
"chemical_system": "Ag-Br-C-O",
"density": 3.6375858151220144,
"density_atomic": 0.05669956623311471,
"volume": 634.9254922337418,
"volume_molar": 10.621140795399667,
"formula_full": "Ag4 C16 Br8 O8",
"formula_reduced": "AgC4(BrO)2",
"formula_anonymous": "AB2C2D4",
"energy": -228.63489184,
"energy_per_atom": -6.350969217777777,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -218.86689184,
"band_gap": 2.5782,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028276,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.386000Z",
"spacegroup": 14
},
{
"id": "mp-998344",
"created_at": "2022-09-04T14:41:23.013581Z",
"structure_string": "Cs1 Ag1 Br3\n1.0\n-0.003471 -5.494831 -0.002843\n-5.497825 -0.001625 -0.001137\n-0.001353 -0.002313 -5.494481\nCs Ag Br\n1 1 3\ndirect\n0.994011 0.000431 0.001464 Cs\n0.484736 0.499160 0.495339 Ag\n0.486964 0.999292 0.494715 Br\n0.984850 0.502902 0.502975 Br\n0.489436 0.498215 0.995506 Br\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Cs",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Cs",
"density": 4.806819244203732,
"density_atomic": 0.030123003665154056,
"volume": 165.98610336405272,
"volume_molar": 19.9918335732447,
"formula_full": "Cs1 Ag1 Br3",
"formula_reduced": "CsAgBr3",
"formula_anonymous": "ABC3",
"energy": -14.846985030000004,
"energy_per_atom": -2.969397006000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.24498503,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008237,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.482000Z",
"spacegroup": 6
},
{
"id": "mp-571100",
"created_at": "2022-09-04T14:46:26.626789Z",
"structure_string": "Cs2 Ag2 Br4\n1.0\n5.369928 0.000000 0.000000\n0.000000 5.369928 0.000000\n0.000000 0.000000 10.430716\nCs Ag Br\n2 2 4\ndirect\n0.500000 0.000000 0.706757 Cs\n0.000000 0.500000 0.293243 Cs\n0.500000 0.000000 0.099960 Ag\n0.000000 0.500000 0.900040 Ag\n0.000000 0.000000 0.000000 Br\n0.500000 0.000000 0.355076 Br\n0.000000 0.500000 0.644924 Br\n0.500000 0.500000 0.000000 Br\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cs",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Cs",
"density": 4.423022003906959,
"density_atomic": 0.026597385052432882,
"volume": 300.7814484104043,
"volume_molar": 22.641852754051662,
"formula_full": "Cs2 Ag2 Br4",
"formula_reduced": "CsAgBr2",
"formula_anonymous": "ABC2",
"energy": -24.86163218,
"energy_per_atom": -3.1077040225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.72563218,
"band_gap": 1.7972,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018427,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:35.654000Z",
"spacegroup": 129
},
{
"id": "mp-640052",
"created_at": "2022-09-04T14:48:03.650589Z",
"structure_string": "Cs8 Ag4 Br12\n1.0\n4.820438 0.000000 0.000000\n0.000000 14.089742 0.000000\n0.000000 0.000000 14.656885\nCs Ag Br\n8 4 12\ndirect\n0.750000 0.988574 0.825945 Cs\n0.250000 0.172446 0.519065 Cs\n0.750000 0.827554 0.480935 Cs\n0.750000 0.488574 0.674055 Cs\n0.250000 0.511426 0.325945 Cs\n0.250000 0.011426 0.174055 Cs\n0.750000 0.327554 0.019065 Cs\n0.250000 0.672446 0.980935 Cs\n0.250000 0.255158 0.804238 Ag\n0.750000 0.244842 0.304238 Ag\n0.250000 0.755158 0.695762 Ag\n0.750000 0.744842 0.195762 Ag\n0.250000 0.137855 0.950874 Br\n0.750000 0.224832 0.712068 Br\n0.750000 0.862145 0.049126 Br\n0.250000 0.440306 0.859668 Br\n0.250000 0.775168 0.287932 Br\n0.750000 0.724832 0.787932 Br\n0.250000 0.275168 0.212068 Br\n0.250000 0.637855 0.549126 Br\n0.750000 0.059694 0.359668 Br\n0.750000 0.559694 0.140332 Br\n0.750000 0.362145 0.450874 Br\n0.250000 0.940306 0.640332 Br\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Cs",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Cs",
"density": 4.092751151255834,
"density_atomic": 0.024109045649023844,
"volume": 995.4769819340295,
"volume_molar": 24.978760452277925,
"formula_full": "Cs8 Ag4 Br12",
"formula_reduced": "Cs2AgBr3",
"formula_anonymous": "AB2C3",
"energy": -76.65234721,
"energy_per_atom": -3.1938478004166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.24434721,
"band_gap": 2.7333,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0043441,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:22.362000Z",
"spacegroup": 62
},
{
"id": "mp-23454",
"created_at": "2022-09-04T14:39:11.293390Z",
"structure_string": "Cs2 Ag2 Br4\n1.0\n2.333062 -10.172286 0.000000\n2.333062 10.172286 0.000000\n0.000000 0.000000 6.044446\nCs Ag Br\n2 2 4\ndirect\n0.584566 0.415434 0.750000 Cs\n0.415434 0.584566 0.250000 Cs\n0.200898 0.799102 0.250000 Ag\n0.799102 0.200898 0.750000 Ag\n0.930699 0.069301 0.750000 Br\n0.069301 0.930699 0.250000 Br\n0.774695 0.225305 0.250000 Br\n0.225305 0.774695 0.750000 Br\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cs",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Cs",
"density": 4.6370182625881435,
"density_atomic": 0.027884229406111398,
"volume": 286.90052299765676,
"volume_molar": 21.59694167011883,
"formula_full": "Cs2 Ag2 Br4",
"formula_reduced": "CsAgBr2",
"formula_anonymous": "ABC2",
"energy": -24.79207658,
"energy_per_atom": -3.0990095725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.65607658,
"band_gap": 2.0566,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020387,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:30.077000Z",
"spacegroup": 63
},
{
"id": "mp-1399321",
"created_at": "2022-09-04T14:43:21.928026Z",
"structure_string": "Cs1 Ag1 Br3\n1.0\n5.497825 0.000000 0.000000\n0.000000 5.494482 0.000000\n0.000000 0.005156 5.494830\nCs Ag Br\n1 1 3\ndirect\n0.000000 0.998536 0.005989 Cs\n0.500000 0.504661 0.515264 Ag\n0.000000 0.505285 0.513036 Br\n0.500000 0.497025 0.015150 Br\n0.500000 0.004494 0.510564 Br\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Cs",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Cs",
"density": 4.806817055371613,
"density_atomic": 0.03012298994834995,
"volume": 165.98617894748145,
"volume_molar": 19.991842676725636,
"formula_full": "Cs1 Ag1 Br3",
"formula_reduced": "CsAgBr3",
"formula_anonymous": "ABC3",
"energy": -14.847084000000002,
"energy_per_atom": -2.9694168000000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.245084,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0047664,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.221000Z",
"spacegroup": 38
},
{
"id": "mp-1113553",
"created_at": "2022-09-04T14:42:59.006540Z",
"structure_string": "Cs2 Ga1 Ag1 Br6\n1.0\n0.000000 5.493831 5.493831\n5.493831 0.000000 5.493831\n5.493831 5.493831 0.000000\nCs Ga Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ag\n0.762591 0.237409 0.237409 Br\n0.237409 0.237409 0.762591 Br\n0.237409 0.762591 0.762591 Br\n0.237409 0.762591 0.237409 Br\n0.762591 0.237409 0.762591 Br\n0.762591 0.762591 0.237409 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Ga",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Cs-Ga",
"density": 4.620756528291801,
"density_atomic": 0.030153943550245844,
"volume": 331.63158189697117,
"volume_molar": 19.971320666450282,
"formula_full": "Cs2 Ga1 Ag1 Br6",
"formula_reduced": "Cs2GaAgBr6",
"formula_anonymous": "ABC2D6",
"energy": -31.76355929,
"energy_per_atom": -3.176355929,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.55955929,
"band_gap": 0.1100999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0010823,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.430000Z",
"spacegroup": 225
},
{
"id": "mp-1113554",
"created_at": "2022-09-04T14:42:08.743945Z",
"structure_string": "Cs2 In1 Ag1 Br6\n1.0\n0.000000 5.611998 5.611998\n5.611998 0.000000 5.611998\n5.611998 5.611998 0.000000\nCs In Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Ag\n0.755995 0.244005 0.244005 Br\n0.244005 0.244005 0.755995 Br\n0.244005 0.755995 0.755995 Br\n0.244005 0.755995 0.244005 Br\n0.755995 0.244005 0.755995 Br\n0.755995 0.755995 0.244005 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"In",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Cs-In",
"density": 4.54680718945434,
"density_atomic": 0.02828899256916531,
"volume": 353.49438392160664,
"volume_molar": 21.28792937845396,
"formula_full": "Cs2 In1 Ag1 Br6",
"formula_reduced": "Cs2InAgBr6",
"formula_anonymous": "ABC2D6",
"energy": -31.96848984,
"energy_per_atom": -3.196848984,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.76448984,
"band_gap": 0.3104,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003886,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.088000Z",
"spacegroup": 225
},
{
"id": "mp-1113243",
"created_at": "2022-09-04T14:48:10.009385Z",
"structure_string": "Cs2 Ag1 Mo1 Br6\n1.0\n0.000000 5.527680 5.527680\n5.527680 0.000000 5.527680\n5.527680 5.527680 0.000000\nCs Ag Mo 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 Ag\n0.000000 0.000000 0.000000 Mo\n0.761694 0.238306 0.238306 Br\n0.238306 0.238306 0.761694 Br\n0.238306 0.761694 0.761694 Br\n0.238306 0.761694 0.238306 Br\n0.761694 0.238306 0.761694 Br\n0.761694 0.761694 0.238306 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Ag",
"Mo",
"Br"
],
"chemical_system": "Ag-Br-Cs-Mo",
"density": 4.665265439099171,
"density_atomic": 0.029603381610629236,
"volume": 337.7992464350577,
"volume_molar": 20.342746106538453,
"formula_full": "Cs2 Ag1 Mo1 Br6",
"formula_reduced": "Cs2AgMoBr6",
"formula_anonymous": "ABC2D6",
"energy": -38.63179109,
"energy_per_atom": -3.863179109,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.42779109,
"band_gap": 0.5337000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.9981516,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.660000Z",
"spacegroup": 225
},
{
"id": "mp-1112944",
"created_at": "2022-09-04T14:40:14.018621Z",
"structure_string": "Cs2 Nd1 Ag1 Br6\n1.0\n0.000000 5.776443 5.776443\n5.776443 0.000000 5.776443\n5.776443 5.776443 0.000000\nCs Nd Ag 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 Nd\n0.000000 0.000000 0.000000 Ag\n0.750070 0.249930 0.249930 Br\n0.249930 0.249930 0.750070 Br\n0.249930 0.750070 0.750070 Br\n0.249930 0.750070 0.249930 Br\n0.750070 0.249930 0.750070 Br\n0.750070 0.750070 0.249930 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Nd",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Cs-Nd",
"density": 4.296186094379305,
"density_atomic": 0.025941108350431064,
"volume": 385.48854061718725,
"volume_molar": 23.21466252963679,
"formula_full": "Cs2 Nd1 Ag1 Br6",
"formula_reduced": "Cs2NdAgBr6",
"formula_anonymous": "ABC2D6",
"energy": -38.2210278,
"energy_per_atom": -3.8221027800000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.0170278,
"band_gap": 3.3798,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008343,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.619000Z",
"spacegroup": 225
},
{
"id": "mp-1112943",
"created_at": "2022-09-04T14:43:18.814150Z",
"structure_string": "Cs2 Ag1 Sb1 Br6\n1.0\n0.000000 5.689253 5.689253\n5.689253 0.000000 5.689253\n5.689253 5.689253 0.000000\nCs Ag Sb 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 Ag\n0.000000 0.000000 0.000000 Sb\n0.751554 0.248446 0.248446 Br\n0.248446 0.248446 0.751554 Br\n0.248446 0.751554 0.751554 Br\n0.248446 0.751554 0.248446 Br\n0.751554 0.248446 0.751554 Br\n0.751554 0.751554 0.248446 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Ag",
"Sb",
"Br"
],
"chemical_system": "Ag-Br-Cs-Sb",
"density": 4.395385730695127,
"density_atomic": 0.027152152410641724,
"volume": 368.29492736939363,
"volume_molar": 22.17923893812465,
"formula_full": "Cs2 Ag1 Sb1 Br6",
"formula_reduced": "Cs2AgSbBr6",
"formula_anonymous": "ABC2D6",
"energy": -32.67772011,
"energy_per_atom": -3.2677720110000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.473720109999995,
"band_gap": 1.1916000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004946,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.131000Z",
"spacegroup": 225
}
]
}