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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=12111",
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"results": [
{
"id": "mp-1111723",
"created_at": "2022-09-04T14:39:16.526295Z",
"structure_string": "Rb2 Tl1 Ag1 Br6\n1.0\n0.000000 5.624950 5.624950\n5.624950 0.000000 5.624950\n5.624950 5.624950 0.000000\nRb Tl Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Ag\n0.748351 0.251649 0.251649 Br\n0.251649 0.251649 0.748351 Br\n0.251649 0.748351 0.748351 Br\n0.251649 0.748351 0.251649 Br\n0.748351 0.251649 0.748351 Br\n0.748351 0.748351 0.251649 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Tl",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Rb-Tl",
"density": 4.490699223048228,
"density_atomic": 0.02809402763105969,
"volume": 355.94753914687476,
"volume_molar": 21.4356618391809,
"formula_full": "Rb2 Tl1 Ag1 Br6",
"formula_reduced": "Rb2TlAgBr6",
"formula_anonymous": "ABC2D6",
"energy": -30.12652254,
"energy_per_atom": -3.012652254,
"energy_above_hull": null,
"is_stable": null,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.703000Z",
"spacegroup": 225
},
{
"id": "mp-1110802",
"created_at": "2022-09-04T14:42:22.919899Z",
"structure_string": "Rb2 Ta1 Ag1 Br6\n1.0\n0.000000 5.500840 5.500840\n5.500840 0.000000 5.500840\n5.500840 5.500840 0.000000\nRb Ta Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Ag\n0.740016 0.259984 0.259984 Br\n0.259984 0.259984 0.740016 Br\n0.259984 0.740016 0.740016 Br\n0.259984 0.740016 0.259984 Br\n0.740016 0.259984 0.740016 Br\n0.740016 0.740016 0.259984 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ta",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Rb-Ta",
"density": 4.684668890561783,
"density_atomic": 0.030038826689704604,
"volume": 332.90248328598545,
"volume_molar": 20.04785613701752,
"formula_full": "Rb2 Ta1 Ag1 Br6",
"formula_reduced": "Rb2TaAgBr6",
"formula_anonymous": "ABC2D6",
"energy": -39.72614255,
"energy_per_atom": -3.972614255,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.52214255,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9979865,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.677000Z",
"spacegroup": 225
},
{
"id": "mp-1111726",
"created_at": "2022-09-04T14:46:36.929293Z",
"structure_string": "Rb2 Sc1 Ag1 Br6\n1.0\n0.000000 5.534647 5.534647\n5.534647 0.000000 5.534647\n5.534647 5.534647 0.000000\nRb Sc Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Ag\n0.759053 0.240947 0.240947 Br\n0.240947 0.240947 0.759053 Br\n0.240947 0.759053 0.759053 Br\n0.240947 0.759053 0.240947 Br\n0.759053 0.240947 0.759053 Br\n0.759053 0.759053 0.240947 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Sc",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Rb-Sc",
"density": 3.9333646844242662,
"density_atomic": 0.02949172828619528,
"volume": 339.07812736362683,
"volume_molar": 20.419762116209686,
"formula_full": "Rb2 Sc1 Ag1 Br6",
"formula_reduced": "Rb2ScAgBr6",
"formula_anonymous": "ABC2D6",
"energy": -38.9533864,
"energy_per_atom": -3.89533864,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.7493864,
"band_gap": 2.8738,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002878,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.550000Z",
"spacegroup": 225
},
{
"id": "mp-1110804",
"created_at": "2022-09-04T14:41:19.069617Z",
"structure_string": "Rb2 Ag1 Sb1 Br6\n1.0\n0.000000 5.655269 5.655269\n5.655269 0.000000 5.655269\n5.655269 5.655269 0.000000\nRb Ag Sb Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Sb\n0.750924 0.249076 0.249076 Br\n0.249076 0.249076 0.750924 Br\n0.249076 0.750924 0.750924 Br\n0.249076 0.750924 0.249076 Br\n0.750924 0.249076 0.750924 Br\n0.750924 0.750924 0.249076 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ag",
"Sb",
"Br"
],
"chemical_system": "Ag-Br-Rb-Sb",
"density": 4.039577554820427,
"density_atomic": 0.02764459308921339,
"volume": 361.7343893515976,
"volume_molar": 21.784154104079658,
"formula_full": "Rb2 Ag1 Sb1 Br6",
"formula_reduced": "Rb2AgSbBr6",
"formula_anonymous": "ABC2D6",
"energy": -32.41743564,
"energy_per_atom": -3.241743564,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.21343564,
"band_gap": 1.1538,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008355,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.758000Z",
"spacegroup": 225
},
{
"id": "mp-567714",
"created_at": "2022-09-04T14:41:55.048433Z",
"structure_string": "Rb8 Ag4 Br12\n1.0\n4.724453 0.000000 0.000000\n0.000000 9.856555 0.000000\n0.000000 0.000000 19.169446\nRb Ag Br\n8 4 12\ndirect\n0.750000 0.922013 0.712809 Rb\n0.750000 0.254311 0.041685 Rb\n0.750000 0.422013 0.787191 Rb\n0.250000 0.577987 0.212809 Rb\n0.250000 0.745689 0.958315 Rb\n0.750000 0.754311 0.458315 Rb\n0.250000 0.245689 0.541685 Rb\n0.250000 0.077987 0.287191 Rb\n0.250000 0.127874 0.865812 Ag\n0.750000 0.372126 0.365812 Ag\n0.750000 0.872126 0.134188 Ag\n0.250000 0.627874 0.634188 Ag\n0.750000 0.122931 0.427673 Br\n0.250000 0.185242 0.726032 Br\n0.250000 0.377069 0.927673 Br\n0.250000 0.000951 0.099992 Br\n0.750000 0.499049 0.599992 Br\n0.750000 0.314758 0.226033 Br\n0.250000 0.500951 0.400008 Br\n0.750000 0.999049 0.900008 Br\n0.250000 0.877069 0.572327 Br\n0.250000 0.685242 0.773968 Br\n0.750000 0.622931 0.072327 Br\n0.750000 0.814758 0.273968 Br\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Rb",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Rb",
"density": 3.8582009085652014,
"density_atomic": 0.026885925898229822,
"volume": 892.6603491673005,
"volume_molar": 22.39885947315097,
"formula_full": "Rb8 Ag4 Br12",
"formula_reduced": "Rb2AgBr3",
"formula_anonymous": "AB2C3",
"energy": -76.70378769,
"energy_per_atom": -3.19599115375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.29578769,
"band_gap": 2.8746,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.04e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:33.880000Z",
"spacegroup": 62
},
{
"id": "mp-998212",
"created_at": "2022-09-04T14:45:58.709334Z",
"structure_string": "Rb1 Ag1 Br3\n1.0\n-5.445471 0.000773 0.001368\n-0.001124 -0.000446 -5.448177\n0.007826 -5.447141 0.015987\nRb Ag Br\n1 1 3\ndirect\n0.999891 0.001205 0.997071 Rb\n0.498789 0.494506 0.483871 Ag\n0.998981 0.493690 0.485763 Br\n0.504667 0.505716 0.984221 Br\n0.497675 0.994885 0.489074 Br\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Rb",
"density": 4.44969067029692,
"density_atomic": 0.03093959972595088,
"volume": 161.60519348303666,
"volume_molar": 19.46418445403763,
"formula_full": "Rb1 Ag1 Br3",
"formula_reduced": "RbAgBr3",
"formula_anonymous": "ABC3",
"energy": -14.78005345,
"energy_per_atom": -2.9560106900000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.17805345,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015185,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.087000Z",
"spacegroup": 8
},
{
"id": "mp-998226",
"created_at": "2022-09-04T14:41:13.189055Z",
"structure_string": "Rb1 Ag1 Br3\n1.0\n3.851573 3.851400 0.000000\n-3.851573 3.851400 0.000000\n0.000000 0.017070 5.447143\nRb Ag Br\n1 1 3\ndirect\n0.999891 0.999891 0.002929 Rb\n0.495991 0.495991 0.516129 Ag\n0.998981 0.492376 0.514237 Br\n0.504534 0.504534 0.015779 Br\n0.492376 0.998981 0.514237 Br\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Rb",
"density": 4.449688432152706,
"density_atomic": 0.030939584163681224,
"volume": 161.60527476866693,
"volume_molar": 19.464194244307777,
"formula_full": "Rb1 Ag1 Br3",
"formula_reduced": "RbAgBr3",
"formula_anonymous": "ABC3",
"energy": -14.77914339,
"energy_per_atom": -2.955828678,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.17714339,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0072009,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.866000Z",
"spacegroup": 99
},
{
"id": "mp-1110818",
"created_at": "2022-09-04T14:46:23.865007Z",
"structure_string": "Rb2 Pr1 Ag1 Br6\n1.0\n0.000000 5.767839 5.767839\n5.767839 0.000000 5.767839\n5.767839 5.767839 0.000000\nRb Pr Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Ag\n0.751368 0.248632 0.248632 Br\n0.248632 0.248632 0.751368 Br\n0.248632 0.751368 0.751368 Br\n0.248632 0.751368 0.248632 Br\n0.751368 0.248632 0.751368 Br\n0.751368 0.751368 0.248632 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Pr",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Pr-Rb",
"density": 3.8904947616341086,
"density_atomic": 0.026057372210938682,
"volume": 383.7685519110817,
"volume_molar": 23.111082388699007,
"formula_full": "Rb2 Pr1 Ag1 Br6",
"formula_reduced": "Rb2PrAgBr6",
"formula_anonymous": "ABC2D6",
"energy": -37.9021585,
"energy_per_atom": -3.79021585,
"energy_above_hull": null,
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"decomposes_to": null,
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"total_magnetization": 0.0010273,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.406000Z",
"spacegroup": 225
},
{
"id": "mp-621612",
"created_at": "2022-09-04T14:47:27.297223Z",
"structure_string": "Ag2 Pb4 Br10\n1.0\n3.592335 8.433409 0.000000\n-3.592335 8.433409 0.000000\n0.000000 0.830048 8.049323\nAg Pb Br\n2 4 10\ndirect\n0.000000 0.500000 0.000000 Ag\n0.500000 0.000000 0.500000 Ag\n0.336178 0.871166 0.936258 Pb\n0.663822 0.128834 0.063742 Pb\n0.871166 0.336178 0.436258 Pb\n0.128834 0.663822 0.563742 Pb\n0.305694 0.135805 0.180251 Br\n0.074036 0.925964 0.250000 Br\n0.694306 0.864195 0.819749 Br\n0.528604 0.295958 0.420575 Br\n0.295958 0.528604 0.920575 Br\n0.471396 0.704042 0.579425 Br\n0.704042 0.471396 0.079425 Br\n0.864195 0.694306 0.319749 Br\n0.135805 0.305694 0.680251 Br\n0.925964 0.074036 0.750000 Br\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ag",
"Pb",
"Br"
],
"chemical_system": "Ag-Br-Pb",
"density": 6.2768376263155226,
"density_atomic": 0.03280580048770356,
"volume": 487.71862786878813,
"volume_molar": 18.35693892687438,
"formula_full": "Ag2 Pb4 Br10",
"formula_reduced": "AgPb2Br5",
"formula_anonymous": "AB2C5",
"energy": -54.49143912,
"energy_per_atom": -3.405714945,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -49.15143912,
"band_gap": 1.9341,
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"is_magnetic": false,
"total_magnetization": 0.0006452,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:11.659000Z",
"spacegroup": 15
},
{
"id": "mp-1229084",
"created_at": "2022-09-04T14:48:12.945142Z",
"structure_string": "Ag1 W2 Br6 O2\n1.0\n1.934653 7.246986 0.000000\n-1.934653 7.246986 0.000000\n0.000000 4.150002 10.762952\nAg W Br O\n1 2 6 2\ndirect\n0.257371 0.257371 0.472561 Ag\n0.087973 0.087973 0.823431 W\n0.915809 0.915809 0.173070 W\n0.275598 0.275598 0.710763 Br\n0.726427 0.726427 0.296516 Br\n0.110732 0.110732 0.043065 Br\n0.891965 0.891965 0.954531 Br\n0.052929 0.052929 0.622147 Br\n0.944955 0.944955 0.376970 Br\n0.585534 0.585534 0.827648 O\n0.416109 0.416109 0.166999 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Ag",
"W",
"Br",
"O"
],
"chemical_system": "Ag-Br-O-W",
"density": 5.430397077960874,
"density_atomic": 0.03644775495655075,
"volume": 301.8018534505915,
"volume_molar": 16.52266584643958,
"formula_full": "Ag1 W2 Br6 O2",
"formula_reduced": "AgW2(Br3O)2",
"formula_anonymous": "AB2C2D6",
"energy": -60.53244002,
"energy_per_atom": -5.502949092727273,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -47.07844002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9989639,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.625000Z",
"spacegroup": 8
},
{
"id": "mp-559470",
"created_at": "2022-09-04T14:39:59.715068Z",
"structure_string": "Ag2 Pb2 Br2 O2\n1.0\n4.027180 0.000000 0.000000\n0.000000 4.027180 0.000000\n0.000000 0.000000 14.241874\nAg Pb Br O\n2 2 2 2\ndirect\n0.500000 0.000000 0.407818 Ag\n0.000000 0.500000 0.592182 Ag\n0.000000 0.500000 0.084665 Pb\n0.500000 0.000000 0.915335 Pb\n0.000000 0.500000 0.385807 Br\n0.500000 0.000000 0.614193 Br\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ag",
"Pb",
"Br",
"O"
],
"chemical_system": "Ag-Br-O-Pb",
"density": 5.909104663224649,
"density_atomic": 0.03463544445388324,
"volume": 230.97725830115803,
"volume_molar": 17.387219523105653,
"formula_full": "Ag2 Pb2 Br2 O2",
"formula_reduced": "AgPbBrO",
"formula_anonymous": "ABCD",
"energy": -34.33912115,
"energy_per_atom": -4.29239014375,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -31.89712115,
"band_gap": 0.1882999999999999,
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"is_magnetic": false,
"total_magnetization": 0.0001555,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:44.800000Z",
"spacegroup": 129
},
{
"id": "mp-1096805",
"created_at": "2022-09-04T14:40:34.804960Z",
"structure_string": "Ag1 Br1 O2\n1.0\n4.556272 0.000000 0.000000\n-2.275020 -3.964296 0.000000\n-0.417148 0.184260 -6.536816\nAg Br O\n1 1 2\ndirect\n0.582728 0.679358 0.041630 Ag\n0.915688 0.344261 0.036566 Br\n0.263184 0.976853 0.549444 O\n0.953720 0.859837 0.531210 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ag",
"Br",
"O"
],
"chemical_system": "Ag-Br-O",
"density": 3.0908469769315117,
"density_atomic": 0.03387801951874355,
"volume": 118.07065633771587,
"volume_molar": 17.775952802282777,
"formula_full": "Ag1 Br1 O2",
"formula_reduced": "AgBrO2",
"formula_anonymous": "ABC2",
"energy": -15.28347527,
"energy_per_atom": -3.8208688175,
"energy_above_hull": null,
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"energy_uncorrected": -14.96147527,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 2.0000219,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.251000Z",
"spacegroup": 1
}
]
}