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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=86",
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"results": [
{
"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,
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"elements": [
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"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,
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"updated_at": "2021-11-28T01:37:11.087000Z",
"spacegroup": 8
},
{
"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": [
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"Ag",
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],
"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,
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"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-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": [
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"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,
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"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-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,
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"energy_uncorrected": -29.21343564,
"band_gap": 1.1538,
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"is_magnetic": false,
"total_magnetization": 0.0008355,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.758000Z",
"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,
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"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-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,
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"energy_uncorrected": -36.52214255,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.9979865,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.677000Z",
"spacegroup": 225
},
{
"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,
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"energy_uncorrected": -26.92252254,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.703000Z",
"spacegroup": 225
},
{
"id": "mp-1110801",
"created_at": "2022-09-04T14:39:41.514025Z",
"structure_string": "Rb2 Y1 Ag1 Br6\n1.0\n0.000000 5.661996 5.661996\n5.661996 0.000000 5.661996\n5.661996 5.661996 0.000000\nRb Y 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 Y\n0.000000 0.000000 0.000000 Ag\n0.746825 0.253175 0.253175 Br\n0.253175 0.253175 0.746825 Br\n0.253175 0.746825 0.746825 Br\n0.253175 0.746825 0.253175 Br\n0.746825 0.253175 0.746825 Br\n0.746825 0.746825 0.253175 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Y",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Rb-Y",
"density": 3.874916606784515,
"density_atomic": 0.02754617674245628,
"volume": 363.0267856586876,
"volume_molar": 21.86198402886966,
"formula_full": "Rb2 Y1 Ag1 Br6",
"formula_reduced": "Rb2YAgBr6",
"formula_anonymous": "ABC2D6",
"energy": -39.72739742,
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"updated_at": "2021-11-28T01:34:43.872000Z",
"spacegroup": 225
},
{
"id": "mp-1229116",
"created_at": "2022-09-04T14:45:16.729132Z",
"structure_string": "Ag3 S1 Br1\n1.0\n0.000000 4.919674 -0.141502\n0.000000 -0.141627 4.978650\n4.825298 0.000000 0.000000\nAg S Br\n3 1 1\ndirect\n0.509745 0.633248 0.000000 Ag\n0.395010 0.982903 0.500000 Ag\n0.985456 0.392605 0.500000 Ag\n0.495991 0.489975 0.500000 S\n0.998798 0.001269 0.000000 Br\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Ag-Br-S",
"density": 6.124830461748297,
"density_atomic": 0.04234025109020676,
"volume": 118.09093879361743,
"volume_molar": 14.223205117914176,
"formula_full": "Ag3 S1 Br1",
"formula_reduced": "Ag3SBr",
"formula_anonymous": "ABC3",
"energy": -16.00480667,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.520000Z",
"spacegroup": 6
},
{
"id": "mp-1105645",
"created_at": "2022-09-04T14:46:13.575040Z",
"structure_string": "Ag12 S4 Br4\n1.0\n4.898851 -4.989522 0.000000\n4.898851 4.989522 0.000000\n0.000000 0.000000 9.917093\nAg S Br\n12 4 4\ndirect\n0.552885 0.974824 0.750000 Ag\n0.025176 0.447115 0.250000 Ag\n0.447115 0.025176 0.250000 Ag\n0.974824 0.552885 0.750000 Ag\n0.257448 0.257448 0.020667 Ag\n0.742552 0.742552 0.979333 Ag\n0.257448 0.257448 0.479333 Ag\n0.742552 0.742552 0.520667 Ag\n0.291776 0.708224 0.000000 Ag\n0.291776 0.708224 0.500000 Ag\n0.708224 0.291776 0.000000 Ag\n0.708224 0.291776 0.500000 Ag\n0.500000 0.000000 0.000000 S\n0.000000 0.500000 0.000000 S\n0.500000 0.000000 0.500000 S\n0.000000 0.500000 0.500000 S\n0.967219 0.967219 0.750000 Br\n0.032781 0.032781 0.250000 Br\n0.495861 0.495861 0.750000 Br\n0.504139 0.504139 0.250000 Br\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"S",
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],
"chemical_system": "Ag-Br-S",
"density": 5.967646430204268,
"density_atomic": 0.04125365589308101,
"volume": 484.80551764514917,
"volume_molar": 14.59783534241876,
"formula_full": "Ag12 S4 Br4",
"formula_reduced": "Ag3SBr",
"formula_anonymous": "ABC3",
"energy": -63.32695137,
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"energy_above_hull": null,
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"band_gap": 0.2964,
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"updated_at": "2021-11-28T01:37:28.598000Z",
"spacegroup": 63
},
{
"id": "mp-36600",
"created_at": "2022-09-04T14:42:04.696637Z",
"structure_string": "Ag6 S2 Br2\n1.0\n0.000000 4.905600 4.963868\n4.801228 0.000000 4.963868\n4.801228 4.905600 0.000000\nAg S Br\n6 2 2\ndirect\n0.435853 0.435853 0.064147 Ag\n0.563872 0.939330 0.060670 Ag\n0.935853 0.935853 0.564147 Ag\n0.939330 0.563872 0.436128 Ag\n0.445330 0.445330 0.554670 Ag\n0.063791 0.063791 0.936209 Ag\n0.254481 0.754154 0.245846 S\n0.754154 0.254481 0.745519 S\n0.996189 0.496149 0.003811 Br\n0.496149 0.996189 0.503851 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"S",
"Br"
],
"chemical_system": "Ag-Br-S",
"density": 6.1865134204165955,
"density_atomic": 0.04276665831475173,
"volume": 233.82701370779412,
"volume_molar": 14.081391900387857,
"formula_full": "Ag6 S2 Br2",
"formula_reduced": "Ag3SBr",
"formula_anonymous": "ABC3",
"energy": -31.96363589,
"energy_per_atom": -3.1963635889999997,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:40.786000Z",
"spacegroup": 42
},
{
"id": "mp-1215080",
"created_at": "2022-09-04T14:39:07.800906Z",
"structure_string": "Ag12 S1 Br1\n1.0\n19.427257 0.000000 0.000000\n0.000000 19.427257 0.000000\n0.000000 0.000000 19.427257\nAg S Br\n12 1 1\ndirect\n0.097807 0.500000 0.000000 Ag\n0.902193 0.500000 0.000000 Ag\n0.000000 0.097807 0.500000 Ag\n0.500000 0.097807 0.000000 Ag\n0.000000 0.902193 0.500000 Ag\n0.500000 0.902193 0.000000 Ag\n0.500000 0.000000 0.097807 Ag\n0.097807 0.000000 0.500000 Ag\n0.500000 0.000000 0.902193 Ag\n0.902193 0.000000 0.500000 Ag\n0.000000 0.500000 0.097807 Ag\n0.000000 0.500000 0.902193 Ag\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.500000 Br\n",
"nsites": 14,
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"elements": [
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"Br"
],
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"density": 0.31850745949852477,
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"volume": 7332.202593154079,
"volume_molar": 315.39682926293483,
"formula_full": "Ag12 S1 Br1",
"formula_reduced": "Ag12SBr",
"formula_anonymous": "ABC12",
"energy": -18.00708367,
"energy_per_atom": -1.2862202621428571,
"energy_above_hull": null,
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"energy_uncorrected": -16.97008367,
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"updated_at": "2021-11-28T01:34:30.016000Z",
"spacegroup": 221
}
]
}