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=10173",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=10171",
"results": [
{
"id": "mp-1114037",
"created_at": "2022-09-04T14:44:54.393339Z",
"structure_string": "K1 Rb2 Gd1 Cl6\n1.0\n0.000000 5.665021 5.665021\n5.665021 0.000000 5.665021\n5.665021 5.665021 0.000000\nK Rb Gd Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Gd\n0.764776 0.235224 0.235224 Cl\n0.235224 0.235224 0.764776 Cl\n0.235224 0.764776 0.764776 Cl\n0.235224 0.764776 0.235224 Cl\n0.764776 0.235224 0.764776 Cl\n0.764776 0.764776 0.235224 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Gd",
"Cl"
],
"chemical_system": "Cl-Gd-K-Rb",
"density": 2.6487681505354326,
"density_atomic": 0.027502073094315137,
"volume": 363.60895288533965,
"volume_molar": 21.897042958717236,
"formula_full": "K1 Rb2 Gd1 Cl6",
"formula_reduced": "KRb2GdCl6",
"formula_anonymous": "ABC2D6",
"energy": -52.85125233,
"energy_per_atom": -5.2851252330000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.16725233,
"band_gap": 3.253,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 7.000032,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.925000Z",
"spacegroup": 225
},
{
"id": "mp-1114036",
"created_at": "2022-09-04T14:48:29.814125Z",
"structure_string": "K1 Rb2 Sc1 Cl6\n1.0\n0.000000 5.489413 5.489413\n5.489413 0.000000 5.489413\n5.489413 5.489413 0.000000\nK Rb Sc Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.772471 0.227529 0.227529 Cl\n0.227529 0.227529 0.772471 Cl\n0.227529 0.772471 0.772471 Cl\n0.227529 0.772471 0.227529 Cl\n0.772471 0.227529 0.772471 Cl\n0.772471 0.772471 0.227529 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Sc",
"Cl"
],
"chemical_system": "Cl-K-Rb-Sc",
"density": 2.3475562447251517,
"density_atomic": 0.030226807827271066,
"volume": 330.8321559174983,
"volume_molar": 19.923178108694422,
"formula_full": "K1 Rb2 Sc1 Cl6",
"formula_reduced": "KRb2ScCl6",
"formula_anonymous": "ABC2D6",
"energy": -44.60827664,
"energy_per_atom": -4.460827664,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.92427664,
"band_gap": 4.0163,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003558,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:49.145000Z",
"spacegroup": 225
},
{
"id": "mp-1114035",
"created_at": "2022-09-04T14:46:06.295558Z",
"structure_string": "K1 Rb2 Lu1 Cl6\n1.0\n0.000000 5.574647 5.574647\n5.574647 0.000000 5.574647\n5.574647 5.574647 0.000000\nK Rb Lu Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Lu\n0.768720 0.231280 0.231280 Cl\n0.231280 0.231280 0.768720 Cl\n0.231280 0.768720 0.768720 Cl\n0.231280 0.768720 0.231280 Cl\n0.768720 0.231280 0.768720 Cl\n0.768720 0.768720 0.231280 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Lu",
"Cl"
],
"chemical_system": "Cl-K-Lu-Rb",
"density": 2.864599912118889,
"density_atomic": 0.028861432853846788,
"volume": 346.48314415433305,
"volume_molar": 20.86570265064765,
"formula_full": "K1 Rb2 Lu1 Cl6",
"formula_reduced": "KRb2LuCl6",
"formula_anonymous": "ABC2D6",
"energy": -43.43371216,
"energy_per_atom": -4.3433712159999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.74971216,
"band_gap": 4.9104,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003169,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:24.849000Z",
"spacegroup": 225
},
{
"id": "mp-1114034",
"created_at": "2022-09-04T14:42:53.959049Z",
"structure_string": "K1 Rb2 Tb1 Cl6\n1.0\n0.000000 5.645842 5.645842\n5.645842 0.000000 5.645842\n5.645842 5.645842 0.000000\nK Rb Tb Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Tb\n0.765609 0.234391 0.234391 Cl\n0.234391 0.234391 0.765609 Cl\n0.234391 0.765609 0.765609 Cl\n0.234391 0.765609 0.234391 Cl\n0.765609 0.234391 0.765609 Cl\n0.765609 0.765609 0.234391 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Tb",
"Cl"
],
"chemical_system": "Cl-K-Rb-Tb",
"density": 2.6835829239550577,
"density_atomic": 0.027783300988262132,
"volume": 359.9284334221046,
"volume_molar": 21.67539689594203,
"formula_full": "K1 Rb2 Tb1 Cl6",
"formula_reduced": "KRb2TbCl6",
"formula_anonymous": "ABC2D6",
"energy": -43.47544495999999,
"energy_per_atom": -4.347544495999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.79144496,
"band_gap": 4.6099,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0013794,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.092000Z",
"spacegroup": 225
},
{
"id": "mp-1114033",
"created_at": "2022-09-04T14:44:56.071239Z",
"structure_string": "K1 Rb2 Sm1 Cl6\n1.0\n0.000000 5.696578 5.696578\n5.696578 0.000000 5.696578\n5.696578 5.696578 0.000000\nK Rb Sm Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sm\n0.763556 0.236444 0.236444 Cl\n0.236444 0.236444 0.763556 Cl\n0.236444 0.763556 0.763556 Cl\n0.236444 0.763556 0.236444 Cl\n0.763556 0.236444 0.763556 Cl\n0.763556 0.763556 0.236444 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Sm",
"Cl"
],
"chemical_system": "Cl-K-Rb-Sm",
"density": 2.5740464698682746,
"density_atomic": 0.02704754546133967,
"volume": 369.7193157247289,
"volume_molar": 22.265017609851988,
"formula_full": "K1 Rb2 Sm1 Cl6",
"formula_reduced": "KRb2SmCl6",
"formula_anonymous": "ABC2D6",
"energy": -43.41001808,
"energy_per_atom": -4.341001808,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.72601808,
"band_gap": 4.796,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0008335,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.494000Z",
"spacegroup": 225
},
{
"id": "mp-1114032",
"created_at": "2022-09-04T14:42:24.243364Z",
"structure_string": "K1 Rb2 Tm1 Cl6\n1.0\n0.000000 5.595560 5.595560\n5.595560 0.000000 5.595560\n5.595560 5.595560 0.000000\nK Rb Tm Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Tm\n0.767793 0.232207 0.232207 Cl\n0.232207 0.232207 0.767793 Cl\n0.232207 0.767793 0.767793 Cl\n0.232207 0.767793 0.232207 Cl\n0.767793 0.232207 0.767793 Cl\n0.767793 0.767793 0.232207 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Tm",
"Cl"
],
"chemical_system": "Cl-K-Rb-Tm",
"density": 2.8040115949747304,
"density_atomic": 0.028539038246893147,
"volume": 350.3972318019032,
"volume_molar": 21.101414518254096,
"formula_full": "K1 Rb2 Tm1 Cl6",
"formula_reduced": "KRb2TmCl6",
"formula_anonymous": "ABC2D6",
"energy": -43.39131956,
"energy_per_atom": -4.339131956,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.70731956,
"band_gap": 4.871499999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001434,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.775000Z",
"spacegroup": 225
},
{
"id": "mp-1114031",
"created_at": "2022-09-04T14:45:40.330011Z",
"structure_string": "K1 Rb2 Tl1 Cl6\n1.0\n0.000000 5.601303 5.601303\n5.601303 0.000000 5.601303\n5.601303 5.601303 0.000000\nK Rb Tl Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Tl\n0.766523 0.233477 0.233477 Cl\n0.233477 0.233477 0.766523 Cl\n0.233477 0.766523 0.766523 Cl\n0.233477 0.766523 0.233477 Cl\n0.766523 0.233477 0.766523 Cl\n0.766523 0.766523 0.233477 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Tl",
"Cl"
],
"chemical_system": "Cl-K-Rb-Tl",
"density": 2.9628733020064035,
"density_atomic": 0.028451345236074545,
"volume": 351.4772295308068,
"volume_molar": 21.166453501693475,
"formula_full": "K1 Rb2 Tl1 Cl6",
"formula_reduced": "KRb2TlCl6",
"formula_anonymous": "ABC2D6",
"energy": -34.65528042,
"energy_per_atom": -3.465528042,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.97128042,
"band_gap": 2.416,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.535000Z",
"spacegroup": 225
},
{
"id": "mp-1114027",
"created_at": "2022-09-04T14:45:56.081103Z",
"structure_string": "Rb2 Li1 Tl1 Br6\n1.0\n0.000000 5.540998 5.540998\n5.540998 0.000000 5.540998\n5.540998 5.540998 0.000000\nRb Li Tl 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 Li\n0.000000 0.000000 0.000000 Tl\n0.748462 0.251538 0.251538 Br\n0.251538 0.251538 0.748462 Br\n0.251538 0.748462 0.748462 Br\n0.251538 0.748462 0.251538 Br\n0.748462 0.251538 0.748462 Br\n0.748462 0.748462 0.251538 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Tl",
"Br"
],
"chemical_system": "Br-Li-Rb-Tl",
"density": 4.205359230996588,
"density_atomic": 0.029390435685497516,
"volume": 340.24674240996103,
"volume_molar": 20.49013775924247,
"formula_full": "Rb2 Li1 Tl1 Br6",
"formula_reduced": "Rb2LiTlBr6",
"formula_anonymous": "ABC2D6",
"energy": -31.32246272,
"energy_per_atom": -3.132246272,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.11846272,
"band_gap": 0.5529,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002548,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:09.206000Z",
"spacegroup": 225
},
{
"id": "mp-1114026",
"created_at": "2022-09-04T14:43:42.482518Z",
"structure_string": "Rb2 Na1 Au1 Br6\n1.0\n0.000000 5.557169 5.557169\n5.557169 0.000000 5.557169\n5.557169 5.557169 0.000000\nRb Na 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 Na\n0.000000 0.000000 0.000000 Au\n0.760253 0.239747 0.239747 Br\n0.239747 0.239747 0.760253 Br\n0.239747 0.760253 0.760253 Br\n0.239747 0.760253 0.239747 Br\n0.760253 0.239747 0.760253 Br\n0.760253 0.760253 0.239747 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Au",
"Br"
],
"chemical_system": "Au-Br-Na-Rb",
"density": 4.210515064817908,
"density_atomic": 0.02913460880804745,
"volume": 343.2344009107765,
"volume_molar": 20.670058759589683,
"formula_full": "Rb2 Na1 Au1 Br6",
"formula_reduced": "Rb2NaAuBr6",
"formula_anonymous": "ABC2D6",
"energy": -29.65374327,
"energy_per_atom": -2.965374327,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.44974327,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0750042,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.402000Z",
"spacegroup": 225
},
{
"id": "mp-1114025",
"created_at": "2022-09-04T14:44:50.593079Z",
"structure_string": "Rb2 Na1 As1 Br6\n1.0\n0.000000 5.590463 5.590463\n5.590463 0.000000 5.590463\n5.590463 5.590463 0.000000\nRb Na 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 Na\n0.000000 0.000000 0.000000 As\n0.761502 0.238498 0.238498 Br\n0.238498 0.238498 0.761502 Br\n0.238498 0.761502 0.761502 Br\n0.238498 0.761502 0.238498 Br\n0.761502 0.238498 0.761502 Br\n0.761502 0.761502 0.238498 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"As",
"Br"
],
"chemical_system": "As-Br-Na-Rb",
"density": 3.5557782209311966,
"density_atomic": 0.02861716923990038,
"volume": 349.44057241193474,
"volume_molar": 21.043803143196442,
"formula_full": "Rb2 Na1 As1 Br6",
"formula_reduced": "Rb2NaAsBr6",
"formula_anonymous": "ABC2D6",
"energy": -32.93057368,
"energy_per_atom": -3.2930573680000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.72657368,
"band_gap": 2.5701,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011441,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.710000Z",
"spacegroup": 225
},
{
"id": "mp-1114024",
"created_at": "2022-09-04T14:41:17.885799Z",
"structure_string": "Rb2 Na1 Er1 Cl6\n1.0\n0.000000 5.377134 5.377134\n5.377134 0.000000 5.377134\n5.377134 5.377134 0.000000\nRb Na Er 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 Na\n0.000000 0.000000 0.000000 Er\n0.757299 0.242701 0.242701 Cl\n0.242701 0.242701 0.757299 Cl\n0.242701 0.757299 0.757299 Cl\n0.242701 0.757299 0.242701 Cl\n0.757299 0.242701 0.757299 Cl\n0.757299 0.757299 0.242701 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Er",
"Cl"
],
"chemical_system": "Cl-Er-Na-Rb",
"density": 3.064816953491155,
"density_atomic": 0.032160102644447436,
"volume": 310.94428119701723,
"volume_molar": 18.725502298854593,
"formula_full": "Rb2 Na1 Er1 Cl6",
"formula_reduced": "Rb2NaErCl6",
"formula_anonymous": "ABC2D6",
"energy": -43.612035430000006,
"energy_per_atom": -4.361203543,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.92803543,
"band_gap": 5.1645,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 9.77e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.497000Z",
"spacegroup": 225
},
{
"id": "mp-1114023",
"created_at": "2022-09-04T14:45:09.929190Z",
"structure_string": "Rb2 Na1 Dy1 Cl6\n1.0\n0.000000 5.397172 5.397172\n5.397172 0.000000 5.397172\n5.397172 5.397172 0.000000\nRb Na Dy 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 Na\n0.000000 0.000000 0.000000 Dy\n0.756039 0.243961 0.243961 Cl\n0.243961 0.243961 0.756039 Cl\n0.243961 0.756039 0.756039 Cl\n0.243961 0.756039 0.243961 Cl\n0.756039 0.243961 0.756039 Cl\n0.756039 0.756039 0.243961 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Dy",
"Cl"
],
"chemical_system": "Cl-Dy-Na-Rb",
"density": 3.0056749129914935,
"density_atomic": 0.031803229885624486,
"volume": 314.4334721964873,
"volume_molar": 18.93562629222793,
"formula_full": "Rb2 Na1 Dy1 Cl6",
"formula_reduced": "Rb2NaDyCl6",
"formula_anonymous": "ABC2D6",
"energy": -43.62160109,
"energy_per_atom": -4.3621601089999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.93760109,
"band_gap": 5.1403,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0009595,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.173000Z",
"spacegroup": 225
}
]
}