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=10247",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=10245",
"results": [
{
"id": "mp-1111629",
"created_at": "2022-09-04T14:39:22.191496Z",
"structure_string": "Rb2 Tl1 Ag1 Cl6\n1.0\n0.000000 5.329731 5.329731\n5.329731 0.000000 5.329731\n5.329731 5.329731 0.000000\nRb Tl Ag Cl\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\n0.751277 0.248723 0.248723 Cl\n0.248723 0.248723 0.751277 Cl\n0.248723 0.751277 0.751277 Cl\n0.248723 0.751277 0.248723 Cl\n0.751277 0.248723 0.751277 Cl\n0.751277 0.751277 0.248723 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Tl",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-Rb-Tl",
"density": 3.8163944089493955,
"density_atomic": 0.033025859897150706,
"volume": 302.7930243494658,
"volume_molar": 18.234622137785905,
"formula_full": "Rb2 Tl1 Ag1 Cl6",
"formula_reduced": "Rb2TlAgCl6",
"formula_anonymous": "ABC2D6",
"energy": -33.73486053,
"energy_per_atom": -3.3734860529999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.05086053,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.64e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.179000Z",
"spacegroup": 225
},
{
"id": "mp-1110598",
"created_at": "2022-09-04T14:43:23.123659Z",
"structure_string": "Rb2 Tl1 Ag1 F6\n1.0\n0.000000 4.610394 4.610394\n4.610394 0.000000 4.610394\n4.610394 4.610394 0.000000\nRb Tl Ag F\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\n0.759923 0.240077 0.240077 F\n0.240077 0.240077 0.759923 F\n0.240077 0.759923 0.759923 F\n0.240077 0.759923 0.240077 F\n0.759923 0.240077 0.759923 F\n0.759923 0.759923 0.240077 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Tl",
"Ag",
"F"
],
"chemical_system": "Ag-F-Rb-Tl",
"density": 5.0595096429324515,
"density_atomic": 0.05102181223711079,
"volume": 195.99460625835013,
"volume_molar": 11.803071070885615,
"formula_full": "Rb2 Tl1 Ag1 F6",
"formula_reduced": "Rb2TlAgF6",
"formula_anonymous": "ABC2D6",
"energy": -42.11534655,
"energy_per_atom": -4.2115346549999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.34334655,
"band_gap": 0.5523,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.47e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.323000Z",
"spacegroup": 225
},
{
"id": "mp-1111798",
"created_at": "2022-09-04T14:40:06.593231Z",
"structure_string": "Rb2 Tl1 Ag1 I6\n1.0\n0.000000 6.038452 6.038452\n6.038452 0.000000 6.038452\n6.038452 6.038452 0.000000\nRb Tl Ag I\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\n0.744457 0.255543 0.255543 I\n0.255543 0.255543 0.744457 I\n0.255543 0.744457 0.744457 I\n0.255543 0.744457 0.255543 I\n0.744457 0.255543 0.744457 I\n0.744457 0.744457 0.255543 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Tl",
"Ag",
"I"
],
"chemical_system": "Ag-I-Rb-Tl",
"density": 4.693284706952153,
"density_atomic": 0.022708745810739863,
"volume": 440.35897373383807,
"volume_molar": 26.519037247543157,
"formula_full": "Rb2 Tl1 Ag1 I6",
"formula_reduced": "Rb2TlAgI6",
"formula_anonymous": "ABC2D6",
"energy": -25.95722059,
"energy_per_atom": -2.595722059,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.68322059,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005423,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.719000Z",
"spacegroup": 225
},
{
"id": "mp-1114116",
"created_at": "2022-09-04T14:45:08.335554Z",
"structure_string": "Rb2 Tl1 As1 Br6\n1.0\n0.000000 5.788886 5.788886\n5.788886 0.000000 5.788886\n5.788886 5.788886 0.000000\nRb Tl As 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 Tl\n0.000000 0.000000 0.000000 As\n0.769419 0.230581 0.230581 Br\n0.230581 0.230581 0.769419 Br\n0.230581 0.769419 0.769419 Br\n0.230581 0.769419 0.230581 Br\n0.769419 0.230581 0.769419 Br\n0.769419 0.769419 0.230581 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Tl",
"As",
"Br"
],
"chemical_system": "As-Br-Rb-Tl",
"density": 3.9788755698113687,
"density_atomic": 0.025774189243764605,
"volume": 387.98504602503607,
"volume_molar": 23.365005599378456,
"formula_full": "Rb2 Tl1 As1 Br6",
"formula_reduced": "Rb2TlAsBr6",
"formula_anonymous": "ABC2D6",
"energy": -32.56773673,
"energy_per_atom": -3.256773673,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.36373673,
"band_gap": 1.2058,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0010019,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.669000Z",
"spacegroup": 225
},
{
"id": "mp-1114009",
"created_at": "2022-09-04T14:41:56.137376Z",
"structure_string": "Rb2 Tl1 As1 Cl6\n1.0\n0.000000 5.530453 5.530453\n5.530453 0.000000 5.530453\n5.530453 5.530453 0.000000\nRb Tl As Cl\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 Tl\n0.000000 0.000000 0.000000 As\n0.772828 0.227172 0.227172 Cl\n0.227172 0.227172 0.772828 Cl\n0.227172 0.772828 0.772828 Cl\n0.227172 0.772828 0.227172 Cl\n0.772828 0.227172 0.772828 Cl\n0.772828 0.772828 0.227172 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Tl",
"As",
"Cl"
],
"chemical_system": "As-Cl-Rb-Tl",
"density": 3.254043298596242,
"density_atomic": 0.029558874032165432,
"volume": 338.3078796952205,
"volume_molar": 20.37337671741764,
"formula_full": "Rb2 Tl1 As1 Cl6",
"formula_reduced": "Rb2TlAsCl6",
"formula_anonymous": "ABC2D6",
"energy": -36.3229545,
"energy_per_atom": -3.63229545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.6389545,
"band_gap": 1.9544,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0006903,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.462000Z",
"spacegroup": 225
},
{
"id": "mp-1113873",
"created_at": "2022-09-04T14:45:09.079816Z",
"structure_string": "Rb2 Tl1 As1 F6\n1.0\n0.000000 4.719778 4.719778\n4.719778 0.000000 4.719778\n4.719778 4.719778 0.000000\nRb Tl As F\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 Tl\n0.000000 0.000000 0.000000 As\n0.780716 0.219284 0.219284 F\n0.219284 0.219284 0.780716 F\n0.219284 0.780716 0.780716 F\n0.219284 0.780716 0.219284 F\n0.780716 0.219284 0.780716 F\n0.780716 0.780716 0.219284 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Tl",
"As",
"F"
],
"chemical_system": "As-F-Rb-Tl",
"density": 4.455652046833956,
"density_atomic": 0.04755599684422426,
"volume": 210.27842256690099,
"volume_molar": 12.663262594886385,
"formula_full": "Rb2 Tl1 As1 F6",
"formula_reduced": "Rb2TlAsF6",
"formula_anonymous": "ABC2D6",
"energy": -46.08142645,
"energy_per_atom": -4.608142645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.30942645,
"band_gap": 2.7163000000000004,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0008853,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.431000Z",
"spacegroup": 225
},
{
"id": "mp-1114168",
"created_at": "2022-09-04T14:46:09.550178Z",
"structure_string": "Rb2 Tl1 As1 I6\n1.0\n0.000000 6.170339 6.170339\n6.170339 0.000000 6.170339\n6.170339 6.170339 0.000000\nRb Tl As I\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 Tl\n0.000000 0.000000 0.000000 As\n0.766360 0.233640 0.233640 I\n0.233640 0.233640 0.766360 I\n0.233640 0.766360 0.766360 I\n0.233640 0.766360 0.233640 I\n0.766360 0.233640 0.766360 I\n0.766360 0.766360 0.233640 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Tl",
"As",
"I"
],
"chemical_system": "As-I-Rb-Tl",
"density": 4.2822835604154355,
"density_atomic": 0.021283494205296943,
"volume": 469.8476623970534,
"volume_molar": 28.294887587120144,
"formula_full": "Rb2 Tl1 As1 I6",
"formula_reduced": "Rb2TlAsI6",
"formula_anonymous": "ABC2D6",
"energy": -28.22893489,
"energy_per_atom": -2.822893489,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.95493489,
"band_gap": 0.9147999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 5.74e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.192000Z",
"spacegroup": 225
},
{
"id": "mp-1111713",
"created_at": "2022-09-04T14:44:13.236331Z",
"structure_string": "Rb2 Tl1 Au1 Br6\n1.0\n0.000000 5.630632 5.630632\n5.630632 0.000000 5.630632\n5.630632 5.630632 0.000000\nRb Tl Au 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 Tl\n0.000000 0.000000 0.000000 Au\n0.757444 0.242556 0.242556 Br\n0.242556 0.242556 0.757444 Br\n0.242556 0.757444 0.757444 Br\n0.242556 0.757444 0.242556 Br\n0.757444 0.242556 0.757444 Br\n0.757444 0.757444 0.242556 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Tl",
"Au",
"Br"
],
"chemical_system": "Au-Br-Rb-Tl",
"density": 4.89151571751047,
"density_atomic": 0.028009062444583066,
"volume": 357.02730213784764,
"volume_molar": 21.500686686371672,
"formula_full": "Rb2 Tl1 Au1 Br6",
"formula_reduced": "Rb2TlAuBr6",
"formula_anonymous": "ABC2D6",
"energy": -29.99485318,
"energy_per_atom": -2.999485318,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.79085318,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0131003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.431000Z",
"spacegroup": 225
},
{
"id": "mp-1111611",
"created_at": "2022-09-04T14:42:01.056166Z",
"structure_string": "Rb2 Tl1 Au1 Cl6\n1.0\n0.000000 5.340903 5.340903\n5.340903 0.000000 5.340903\n5.340903 5.340903 0.000000\nRb Tl Au Cl\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 Au\n0.744428 0.255571 0.255571 Cl\n0.255572 0.255572 0.744428 Cl\n0.255572 0.744428 0.744428 Cl\n0.255572 0.744428 0.255572 Cl\n0.744429 0.255571 0.744428 Cl\n0.744429 0.744428 0.255571 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Tl",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-Rb-Tl",
"density": 4.278057389025376,
"density_atomic": 0.03281904450408494,
"volume": 304.701131647977,
"volume_molar": 18.349531045154084,
"formula_full": "Rb2 Tl1 Au1 Cl6",
"formula_reduced": "Rb2TlAuCl6",
"formula_anonymous": "ABC2D6",
"energy": -33.29876619,
"energy_per_atom": -3.329876619,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.61476619,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030366,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.069000Z",
"spacegroup": 225
},
{
"id": "mp-1111400",
"created_at": "2022-09-04T14:47:28.895566Z",
"structure_string": "Rb2 Tl1 Au1 F6\n1.0\n0.000000 4.628594 4.628594\n4.628594 0.000000 4.628594\n4.628594 4.628594 0.000000\nRb Tl Au F\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 Tl\n0.000000 0.000000 0.000000 Au\n0.744231 0.255769 0.255769 F\n0.255769 0.255769 0.744231 F\n0.255769 0.744231 0.744231 F\n0.255769 0.744231 0.255769 F\n0.744231 0.255769 0.744231 F\n0.744231 0.744231 0.255769 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Tl",
"Au",
"F"
],
"chemical_system": "Au-F-Rb-Tl",
"density": 5.746065578858204,
"density_atomic": 0.050422310238515615,
"volume": 198.3249072225452,
"volume_molar": 11.94340507508108,
"formula_full": "Rb2 Tl1 Au1 F6",
"formula_reduced": "Rb2TlAuF6",
"formula_anonymous": "ABC2D6",
"energy": -40.84862573000001,
"energy_per_atom": -4.0848625730000006,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.07662573,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0050694,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:11.838000Z",
"spacegroup": 225
},
{
"id": "mp-1111787",
"created_at": "2022-09-04T14:44:28.001353Z",
"structure_string": "Rb2 Tl1 Au1 I6\n1.0\n0.000000 6.040433 6.040433\n6.040433 0.000000 6.040433\n6.040433 6.040433 0.000000\nRb Tl Au I\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 Au\n0.739778 0.260222 0.260222 I\n0.260222 0.260222 0.739778 I\n0.260222 0.739778 0.739778 I\n0.260222 0.739778 0.260222 I\n0.739778 0.260222 0.739778 I\n0.739778 0.739778 0.260222 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Tl",
"Au",
"I"
],
"chemical_system": "Au-I-Rb-Tl",
"density": 5.0243170861368025,
"density_atomic": 0.022686410686619304,
"volume": 440.79251399156374,
"volume_molar": 26.545145652114662,
"formula_full": "Rb2 Tl1 Au1 I6",
"formula_reduced": "Rb2TlAuI6",
"formula_anonymous": "ABC2D6",
"energy": -26.15669374,
"energy_per_atom": -2.6156693740000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.88269374,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025632,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.482000Z",
"spacegroup": 225
},
{
"id": "mp-1114114",
"created_at": "2022-09-04T14:45:35.818001Z",
"structure_string": "Rb2 Tl1 Bi1 Br6\n1.0\n0.000000 6.017889 6.017889\n6.017889 0.000000 6.017889\n6.017889 6.017889 0.000000\nRb Tl Bi 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 Tl\n0.000000 0.000000 0.000000 Bi\n0.761495 0.238505 0.238505 Br\n0.238505 0.238505 0.761495 Br\n0.238505 0.761495 0.761495 Br\n0.238505 0.761495 0.238505 Br\n0.761495 0.238505 0.761495 Br\n0.761495 0.761495 0.238505 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Tl",
"Bi",
"Br"
],
"chemical_system": "Bi-Br-Rb-Tl",
"density": 4.052427513398634,
"density_atomic": 0.022942328060142105,
"volume": 435.87555603709995,
"volume_molar": 26.249039522986838,
"formula_full": "Rb2 Tl1 Bi1 Br6",
"formula_reduced": "Rb2TlBiBr6",
"formula_anonymous": "ABC2D6",
"energy": -33.001232009999995,
"energy_per_atom": -3.3001232009999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.797232009999995,
"band_gap": 1.6711,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000881,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.833000Z",
"spacegroup": 225
}
]
}