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=-id&page=10210",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=10208",
"results": [
{
"id": "mp-1112920",
"created_at": "2022-09-04T14:40:08.590128Z",
"structure_string": "Cs2 Sm1 Au1 Cl6\n1.0\n0.000000 5.485927 5.485927\n5.485927 0.000000 5.485927\n5.485927 5.485927 0.000000\nCs Sm Au Cl\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 Sm\n0.500000 0.500000 0.500000 Au\n0.753660 0.246340 0.246340 Cl\n0.246340 0.246340 0.753660 Cl\n0.246340 0.753660 0.753660 Cl\n0.246340 0.753660 0.246340 Cl\n0.753660 0.246340 0.753660 Cl\n0.753660 0.753660 0.246340 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Sm",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-Cs-Sm",
"density": 4.1531066158925904,
"density_atomic": 0.030284466791797172,
"volume": 330.2022805535606,
"volume_molar": 19.88524612766553,
"formula_full": "Cs2 Sm1 Au1 Cl6",
"formula_reduced": "Cs2SmAuCl6",
"formula_anonymous": "ABC2D6",
"energy": -41.54356171,
"energy_per_atom": -4.154356171,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.85956171,
"band_gap": 2.23,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003611,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.347000Z",
"spacegroup": 225
},
{
"id": "mp-1112919",
"created_at": "2022-09-04T14:47:29.701607Z",
"structure_string": "Cs2 Y1 Au1 Cl6\n1.0\n0.000000 5.437051 5.437051\n5.437051 0.000000 5.437051\n5.437051 5.437051 0.000000\nCs Y Au Cl\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 Y\n0.500000 0.500000 0.500000 Au\n0.756154 0.243846 0.243846 Cl\n0.243846 0.243846 0.756154 Cl\n0.243846 0.756154 0.756154 Cl\n0.243846 0.756154 0.243846 Cl\n0.756154 0.243846 0.756154 Cl\n0.756154 0.756154 0.243846 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Y",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-Cs-Y",
"density": 3.948665193085374,
"density_atomic": 0.031108551105048343,
"volume": 321.45502264736416,
"volume_molar": 19.35847394391415,
"formula_full": "Cs2 Y1 Au1 Cl6",
"formula_reduced": "Cs2YAuCl6",
"formula_anonymous": "ABC2D6",
"energy": -43.38544664,
"energy_per_atom": -4.338544664,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.70144664,
"band_gap": 2.2263,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000495,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:15.729000Z",
"spacegroup": 225
},
{
"id": "mp-1112918",
"created_at": "2022-09-04T14:44:27.259295Z",
"structure_string": "Cs2 Y1 Au1 Br6\n1.0\n0.000000 5.695374 5.695374\n5.695374 0.000000 5.695374\n5.695374 5.695374 0.000000\nCs Y Au 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 Y\n0.500000 0.500000 0.500000 Au\n0.753368 0.246632 0.246632 Br\n0.246632 0.246632 0.753368 Br\n0.246632 0.753368 0.753368 Br\n0.246632 0.753368 0.246632 Br\n0.753368 0.246632 0.753368 Br\n0.753368 0.753368 0.246632 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Y",
"Au",
"Br"
],
"chemical_system": "Au-Br-Cs-Y",
"density": 4.634002119000908,
"density_atomic": 0.02706470261177518,
"volume": 369.48493923776755,
"volume_molar": 22.250903127898834,
"formula_full": "Cs2 Y1 Au1 Br6",
"formula_reduced": "Cs2YAuBr6",
"formula_anonymous": "ABC2D6",
"energy": -39.22291884,
"energy_per_atom": -3.922291884,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.01891884,
"band_gap": 1.863,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005519,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.857000Z",
"spacegroup": 225
},
{
"id": "mp-1112917",
"created_at": "2022-09-04T14:47:07.464053Z",
"structure_string": "Cs2 Er1 Cu1 Cl6\n1.0\n0.000000 5.249045 5.249045\n5.249045 0.000000 5.249045\n5.249045 5.249045 0.000000\nCs Er Cu Cl\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 Er\n0.500000 0.500000 0.500000 Cu\n0.749360 0.250640 0.250640 Cl\n0.250640 0.250640 0.749360 Cl\n0.250640 0.749360 0.749360 Cl\n0.250640 0.749360 0.250640 Cl\n0.749360 0.250640 0.749360 Cl\n0.749360 0.749360 0.250640 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Er",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cs-Cu-Er",
"density": 4.072198428904191,
"density_atomic": 0.034572367144177996,
"volume": 289.2483456020455,
"volume_molar": 17.41894251812645,
"formula_full": "Cs2 Er1 Cu1 Cl6",
"formula_reduced": "Cs2ErCuCl6",
"formula_anonymous": "ABC2D6",
"energy": -43.16092721,
"energy_per_atom": -4.3160927209999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.47692721,
"band_gap": 2.1700000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001193,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.118000Z",
"spacegroup": 225
},
{
"id": "mp-1112916",
"created_at": "2022-09-04T14:45:04.658147Z",
"structure_string": "Cs2 Y1 Au1 I6\n1.0\n0.000000 6.079951 6.079951\n6.079951 0.000000 6.079951\n6.079951 6.079951 0.000000\nCs Y Au I\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 Y\n0.500000 0.500000 0.500000 Au\n0.749967 0.250033 0.250033 I\n0.250033 0.250033 0.749967 I\n0.250033 0.749967 0.749967 I\n0.250033 0.749967 0.250033 I\n0.749967 0.250033 0.749967 I\n0.749967 0.749967 0.250033 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Y",
"Au",
"I"
],
"chemical_system": "Au-Cs-I-Y",
"density": 4.850874291316986,
"density_atomic": 0.022246913529416535,
"volume": 449.5005559659883,
"volume_molar": 27.069556197254396,
"formula_full": "Cs2 Y1 Au1 I6",
"formula_reduced": "Cs2YAuI6",
"formula_anonymous": "ABC2D6",
"energy": -34.36120195,
"energy_per_atom": -3.436120195,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.08720195,
"band_gap": 1.1517000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012382,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.533000Z",
"spacegroup": 225
},
{
"id": "mp-1112911",
"created_at": "2022-09-04T14:46:10.958702Z",
"structure_string": "Cs2 Hg1 As1 Br6\n1.0\n0.000000 5.668078 5.668078\n5.668078 0.000000 5.668078\n5.668078 5.668078 0.000000\nCs Hg As 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 Hg\n0.000000 0.000000 0.000000 As\n0.762418 0.237582 0.237582 Br\n0.237582 0.237582 0.762418 Br\n0.237582 0.762418 0.762418 Br\n0.237582 0.762418 0.237582 Br\n0.762418 0.237582 0.762418 Br\n0.762418 0.762418 0.237582 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Hg",
"As",
"Br"
],
"chemical_system": "As-Br-Cs-Hg",
"density": 4.654033967753114,
"density_atomic": 0.027457598493825154,
"volume": 364.1979105437377,
"volume_molar": 21.932510817922765,
"formula_full": "Cs2 Hg1 As1 Br6",
"formula_reduced": "Cs2HgAsBr6",
"formula_anonymous": "ABC2D6",
"energy": -29.64866464,
"energy_per_atom": -2.964866464,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.44466464,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0464517,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:22.397000Z",
"spacegroup": 225
},
{
"id": "mp-1112910",
"created_at": "2022-09-04T14:41:59.630324Z",
"structure_string": "Cs2 Ta1 Cu1 Br6\n1.0\n0.000000 5.401885 5.401885\n5.401885 0.000000 5.401885\n5.401885 5.401885 0.000000\nCs Ta Cu Br\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Cu\n0.253442 0.253442 0.746558 Br\n0.253442 0.746558 0.746558 Br\n0.746558 0.746558 0.253442 Br\n0.253442 0.746558 0.253442 Br\n0.746558 0.253442 0.746558 Br\n0.746558 0.253442 0.253442 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Ta",
"Cu",
"Br"
],
"chemical_system": "Br-Cs-Cu-Ta",
"density": 5.213138938017918,
"density_atomic": 0.03172006009211309,
"volume": 315.2579147378857,
"volume_molar": 18.98527538255626,
"formula_full": "Cs2 Ta1 Cu1 Br6",
"formula_reduced": "Cs2TaCuBr6",
"formula_anonymous": "ABC2D6",
"energy": -40.53574861,
"energy_per_atom": -4.0535748609999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.33174861,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9991799,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.479000Z",
"spacegroup": 225
},
{
"id": "mp-1112909",
"created_at": "2022-09-04T14:44:42.354387Z",
"structure_string": "Cs2 Y1 Cu1 Cl6\n1.0\n0.000000 5.271473 5.271473\n5.271473 0.000000 5.271473\n5.271473 5.271473 0.000000\nCs Y Cu Cl\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 Y\n0.000000 0.000000 0.000000 Cu\n0.752337 0.247663 0.247663 Cl\n0.247663 0.247663 0.752337 Cl\n0.247663 0.752337 0.752337 Cl\n0.247663 0.752337 0.247663 Cl\n0.752337 0.247663 0.752337 Cl\n0.752337 0.752337 0.247663 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Y",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cs-Cu-Y",
"density": 3.576343746087239,
"density_atomic": 0.03413296732558099,
"volume": 292.9718915034231,
"volume_molar": 17.64317969357062,
"formula_full": "Cs2 Y1 Cu1 Cl6",
"formula_reduced": "Cs2YCuCl6",
"formula_anonymous": "ABC2D6",
"energy": -45.04249395000001,
"energy_per_atom": -4.504249395,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.35849395,
"band_gap": 2.5338,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.17e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:44.846000Z",
"spacegroup": 225
},
{
"id": "mp-1112908",
"created_at": "2022-09-04T14:39:23.769388Z",
"structure_string": "Cs2 Hg1 As1 I6\n1.0\n0.000000 6.042509 6.042509\n6.042509 0.000000 6.042509\n6.042509 6.042509 0.000000\nCs Hg As I\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 Hg\n0.000000 0.000000 0.000000 As\n0.759393 0.240607 0.240607 I\n0.240607 0.240607 0.759393 I\n0.240607 0.759393 0.759393 I\n0.240607 0.759393 0.240607 I\n0.759393 0.240607 0.759393 I\n0.759393 0.759393 0.240607 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Hg",
"As",
"I"
],
"chemical_system": "As-Cs-Hg-I",
"density": 4.902617830652811,
"density_atomic": 0.022663035888409046,
"volume": 441.2471501717242,
"volume_molar": 26.57252448282981,
"formula_full": "Cs2 Hg1 As1 I6",
"formula_reduced": "Cs2HgAsI6",
"formula_anonymous": "ABC2D6",
"energy": -25.74231138,
"energy_per_atom": -2.574231138,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.46831138,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002756,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.656000Z",
"spacegroup": 225
},
{
"id": "mp-1112907",
"created_at": "2022-09-04T14:48:23.498739Z",
"structure_string": "Cs2 Hg1 As1 Cl6\n1.0\n0.000000 5.425787 5.425787\n5.425787 0.000000 5.425787\n5.425787 5.425787 0.000000\nCs Hg As Cl\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 Hg\n0.000000 0.000000 0.000000 As\n0.767934 0.232066 0.232066 Cl\n0.232066 0.232066 0.767934 Cl\n0.232066 0.767934 0.767934 Cl\n0.232066 0.767934 0.232066 Cl\n0.767934 0.232066 0.767934 Cl\n0.767934 0.767934 0.232066 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Hg",
"As",
"Cl"
],
"chemical_system": "As-Cl-Cs-Hg",
"density": 3.9194538458300725,
"density_atomic": 0.031302698795513825,
"volume": 319.46127282268577,
"volume_molar": 19.238407523069764,
"formula_full": "Cs2 Hg1 As1 Cl6",
"formula_reduced": "Cs2HgAsCl6",
"formula_anonymous": "ABC2D6",
"energy": -33.10121458,
"energy_per_atom": -3.310121458,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.41721458,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012953,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:18.070000Z",
"spacegroup": 225
},
{
"id": "mp-1112906",
"created_at": "2022-09-04T14:40:34.866553Z",
"structure_string": "Cs2 Hg1 Bi1 Cl6\n1.0\n0.000000 5.626595 5.626595\n5.626595 0.000000 5.626595\n5.626595 5.626595 0.000000\nCs Hg Bi Cl\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 Hg\n0.000000 0.000000 0.000000 Bi\n0.757705 0.242295 0.242295 Cl\n0.242295 0.242295 0.757705 Cl\n0.242295 0.757705 0.757705 Cl\n0.242295 0.757705 0.242295 Cl\n0.757705 0.242295 0.757705 Cl\n0.757705 0.757705 0.242295 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Hg",
"Bi",
"Cl"
],
"chemical_system": "Bi-Cl-Cs-Hg",
"density": 4.139459745211197,
"density_atomic": 0.02806939399453033,
"volume": 356.2599179002092,
"volume_molar": 21.45447372741103,
"formula_full": "Cs2 Hg1 Bi1 Cl6",
"formula_reduced": "Cs2HgBiCl6",
"formula_anonymous": "ABC2D6",
"energy": -33.54768384,
"energy_per_atom": -3.3547683839999998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.86368384,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009705,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.532000Z",
"spacegroup": 225
},
{
"id": "mp-1112905",
"created_at": "2022-09-04T14:43:46.708623Z",
"structure_string": "Cs2 Hg1 Bi1 Br6\n1.0\n0.000000 5.875412 5.875412\n5.875412 0.000000 5.875412\n5.875412 5.875412 0.000000\nCs Hg Bi 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 Hg\n0.000000 0.000000 0.000000 Bi\n0.754624 0.245376 0.245376 Br\n0.245376 0.245376 0.754624 Br\n0.245376 0.754624 0.754624 Br\n0.245376 0.754624 0.245376 Br\n0.754624 0.245376 0.754624 Br\n0.754624 0.754624 0.245376 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Hg",
"Bi",
"Br"
],
"chemical_system": "Bi-Br-Cs-Hg",
"density": 4.7272970592703665,
"density_atomic": 0.024652162768407863,
"volume": 405.64392235861584,
"volume_molar": 24.428447988820956,
"formula_full": "Cs2 Hg1 Bi1 Br6",
"formula_reduced": "Cs2HgBiBr6",
"formula_anonymous": "ABC2D6",
"energy": -30.08290038,
"energy_per_atom": -3.008290038,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.87890038,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016827,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.002000Z",
"spacegroup": 225
}
]
}