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=10205",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=10203",
"results": [
{
"id": "mp-1113020",
"created_at": "2022-09-04T14:39:58.890020Z",
"structure_string": "Cs2 Li1 Ce1 Cl6\n1.0\n0.000000 5.402787 5.402787\n5.402787 0.000000 5.402787\n5.402787 5.402787 0.000000\nCs Li Ce 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 Li\n0.000000 0.000000 0.000000 Ce\n0.745036 0.254964 0.254964 Cl\n0.254964 0.254964 0.745036 Cl\n0.254964 0.745036 0.745036 Cl\n0.254964 0.745036 0.254964 Cl\n0.745036 0.254964 0.745036 Cl\n0.745036 0.745036 0.254964 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Li",
"Ce",
"Cl"
],
"chemical_system": "Ce-Cl-Cs-Li",
"density": 3.293460942523229,
"density_atomic": 0.031704175669265214,
"volume": 315.4158652260509,
"volume_molar": 18.99478738328468,
"formula_full": "Cs2 Li1 Ce1 Cl6",
"formula_reduced": "Cs2LiCeCl6",
"formula_anonymous": "ABC2D6",
"energy": -45.30801301,
"energy_per_atom": -4.530801301,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.62401301,
"band_gap": 0.3208000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000762,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.854000Z",
"spacegroup": 225
},
{
"id": "mp-1113018",
"created_at": "2022-09-04T14:39:42.177721Z",
"structure_string": "Cs2 Li1 Dy1 Cl6\n1.0\n0.000000 5.310556 5.310556\n5.310556 0.000000 5.310556\n5.310556 5.310556 0.000000\nCs Li Dy 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 Li\n0.000000 0.000000 0.000000 Dy\n0.750671 0.249329 0.249329 Cl\n0.249329 0.249329 0.750671 Cl\n0.249329 0.750671 0.750671 Cl\n0.249329 0.750671 0.249329 Cl\n0.750671 0.249329 0.750671 Cl\n0.750671 0.750671 0.249329 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Li",
"Dy",
"Cl"
],
"chemical_system": "Cl-Cs-Dy-Li",
"density": 3.5921458183237567,
"density_atomic": 0.03338489585550833,
"volume": 299.5366540390167,
"volume_molar": 18.03851893402381,
"formula_full": "Cs2 Li1 Dy1 Cl6",
"formula_reduced": "Cs2LiDyCl6",
"formula_anonymous": "ABC2D6",
"energy": -44.30768311999999,
"energy_per_atom": -4.430768312,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.62368312,
"band_gap": 5.0917,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 5.11e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.082000Z",
"spacegroup": 225
},
{
"id": "mp-1113017",
"created_at": "2022-09-04T14:43:36.613555Z",
"structure_string": "Cs2 Li1 In1 Cl6\n1.0\n0.000000 5.246774 5.246774\n5.246774 0.000000 5.246774\n5.246774 5.246774 0.000000\nCs Li In 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 Li\n0.000000 0.000000 0.000000 In\n0.755606 0.244394 0.244394 Cl\n0.244394 0.244394 0.755606 Cl\n0.244394 0.755606 0.755606 Cl\n0.244394 0.755606 0.244394 Cl\n0.755606 0.244394 0.755606 Cl\n0.755606 0.755606 0.244394 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Li",
"In",
"Cl"
],
"chemical_system": "Cl-Cs-In-Li",
"density": 3.450655638624412,
"density_atomic": 0.03461727921838751,
"volume": 288.8730780057476,
"volume_molar": 17.39634337525072,
"formula_full": "Cs2 Li1 In1 Cl6",
"formula_reduced": "Cs2LiInCl6",
"formula_anonymous": "ABC2D6",
"energy": -37.56440229,
"energy_per_atom": -3.756440229,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.88040229,
"band_gap": 2.7765,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 9.35e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.283000Z",
"spacegroup": 225
},
{
"id": "mp-1113016",
"created_at": "2022-09-04T14:41:57.400170Z",
"structure_string": "Cs2 Li1 In1 F6\n1.0\n0.000000 4.430527 4.430527\n4.430527 0.000000 4.430527\n4.430527 4.430527 0.000000\nCs Li In F\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 Li\n0.000000 0.000000 0.000000 In\n0.758945 0.241055 0.241055 F\n0.241055 0.241055 0.758945 F\n0.241055 0.758945 0.758945 F\n0.241055 0.758945 0.241055 F\n0.758945 0.241055 0.758945 F\n0.758945 0.758945 0.241055 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Li",
"In",
"F"
],
"chemical_system": "Cs-F-In-Li",
"density": 4.788242230109604,
"density_atomic": 0.057491526722422324,
"volume": 173.93867531612952,
"volume_molar": 10.474831863616695,
"formula_full": "Cs2 Li1 In1 F6",
"formula_reduced": "Cs2LiInF6",
"formula_anonymous": "ABC2D6",
"energy": -47.7780371,
"energy_per_atom": -4.77780371,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.0060371,
"band_gap": 5.227,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.628000Z",
"spacegroup": 225
},
{
"id": "mp-1113008",
"created_at": "2022-09-04T14:48:28.789883Z",
"structure_string": "Cs2 Li1 Pr1 I6\n1.0\n0.000000 6.143747 6.143747\n6.143747 0.000000 6.143747\n6.143747 6.143747 0.000000\nCs Li Pr 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 Li\n0.000000 0.000000 0.000000 Pr\n0.744958 0.255042 0.255042 I\n0.255042 0.255042 0.744958 I\n0.255042 0.744958 0.744958 I\n0.255042 0.744958 0.255042 I\n0.744958 0.255042 0.744958 I\n0.744958 0.744958 0.255042 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Li",
"Pr",
"I"
],
"chemical_system": "Cs-I-Li-Pr",
"density": 4.207158973151472,
"density_atomic": 0.021561056369702278,
"volume": 463.79916774634745,
"volume_molar": 27.930638725393564,
"formula_full": "Cs2 Li1 Pr1 I6",
"formula_reduced": "Cs2LiPrI6",
"formula_anonymous": "ABC2D6",
"energy": -34.3708473,
"energy_per_atom": -3.43708473,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.0968473,
"band_gap": 2.9609,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0010953,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:39.207000Z",
"spacegroup": 225
},
{
"id": "mp-1113004",
"created_at": "2022-09-04T14:44:51.143580Z",
"structure_string": "Cs2 Li1 Sc1 Cl6\n1.0\n0.000000 5.205953 5.205953\n5.205953 0.000000 5.205953\n5.205953 5.205953 0.000000\nCs Li Sc 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 Li\n0.000000 0.000000 0.000000 Sc\n0.758140 0.241860 0.241860 Cl\n0.241860 0.241860 0.758140 Cl\n0.241860 0.758140 0.758140 Cl\n0.241860 0.758140 0.241860 Cl\n0.758140 0.241860 0.758140 Cl\n0.758140 0.758140 0.241860 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Li",
"Sc",
"Cl"
],
"chemical_system": "Cl-Cs-Li-Sc",
"density": 3.1213540016105266,
"density_atomic": 0.03543800585503813,
"volume": 282.18292081404815,
"volume_molar": 16.99345269210132,
"formula_full": "Cs2 Li1 Sc1 Cl6",
"formula_reduced": "Cs2LiScCl6",
"formula_anonymous": "ABC2D6",
"energy": -45.3084628,
"energy_per_atom": -4.5308462800000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.6244628,
"band_gap": 3.7738,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:41.010000Z",
"spacegroup": 225
},
{
"id": "mp-1113000",
"created_at": "2022-09-04T14:40:41.190613Z",
"structure_string": "Cs2 Li1 Ta1 I6\n1.0\n0.000000 5.886699 5.886699\n5.886699 0.000000 5.886699\n5.886699 5.886699 0.000000\nCs Li Ta I\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Ta\n0.257562 0.742438 0.742438 I\n0.742438 0.742438 0.257562 I\n0.742438 0.257562 0.257562 I\n0.742438 0.257562 0.742438 I\n0.257562 0.742438 0.257562 I\n0.257562 0.257562 0.742438 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Li",
"Ta",
"I"
],
"chemical_system": "Cs-I-Li-Ta",
"density": 4.945670075804265,
"density_atomic": 0.024510632279933057,
"volume": 407.98621128134,
"volume_molar": 24.5695039247533,
"formula_full": "Cs2 Li1 Ta1 I6",
"formula_reduced": "Cs2LiTaI6",
"formula_anonymous": "ABC2D6",
"energy": -36.24567009,
"energy_per_atom": -3.6245670089999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.97167009,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9986259,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.138000Z",
"spacegroup": 225
},
{
"id": "mp-1113",
"created_at": "2022-09-04T14:42:20.158519Z",
"structure_string": "B2 W4\n1.0\n-2.796063 2.796063 2.398358\n2.796063 -2.796063 2.398358\n2.796063 2.796063 -2.398358\nB W\n2 4\ndirect\n0.250000 0.250000 0.000000 B\n0.750000 0.750000 0.000000 B\n0.829767 0.670233 0.500000 W\n0.329767 0.829767 0.159533 W\n0.170233 0.329767 0.500000 W\n0.670233 0.170233 0.840467 W\n",
"nsites": 6,
"nelements": 2,
"elements": [
"B",
"W"
],
"chemical_system": "B-W",
"density": 16.759719411890774,
"density_atomic": 0.07999877627055045,
"volume": 75.00114726390821,
"volume_molar": 7.527791099745735,
"formula_full": "B2 W4",
"formula_reduced": "BW2",
"formula_anonymous": "AB2",
"energy": -66.76245649,
"energy_per_atom": -11.127076081666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.76245649,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012328,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:43.871000Z",
"spacegroup": 140
},
{
"id": "mp-1112999",
"created_at": "2022-09-04T14:41:51.591529Z",
"structure_string": "Cs2 Li1 Tl1 Cl6\n1.0\n0.000000 5.301044 5.301044\n5.301044 0.000000 5.301044\n5.301044 5.301044 0.000000\nCs Li Tl 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 Li\n0.000000 0.000000 0.000000 Tl\n0.750922 0.249078 0.249078 Cl\n0.249078 0.249078 0.750922 Cl\n0.249078 0.750922 0.750922 Cl\n0.249078 0.750922 0.249078 Cl\n0.750922 0.249078 0.750922 Cl\n0.750922 0.750922 0.249078 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Li",
"Tl",
"Cl"
],
"chemical_system": "Cl-Cs-Li-Tl",
"density": 3.8449576476190748,
"density_atomic": 0.0335649324387502,
"volume": 297.92999042224056,
"volume_molar": 17.941763389481846,
"formula_full": "Cs2 Li1 Tl1 Cl6",
"formula_reduced": "Cs2LiTlCl6",
"formula_anonymous": "ABC2D6",
"energy": -35.42311039,
"energy_per_atom": -3.542311039,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.73911039,
"band_gap": 1.5236,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001621,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.472000Z",
"spacegroup": 225
},
{
"id": "mp-1112998",
"created_at": "2022-09-04T14:42:27.333331Z",
"structure_string": "Cs2 Li1 Tm1 Cl6\n1.0\n0.000000 5.287351 5.287351\n5.287351 0.000000 5.287351\n5.287351 5.287351 0.000000\nCs Li Tm 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 Li\n0.000000 0.000000 0.000000 Tm\n0.752602 0.247398 0.247398 Cl\n0.247398 0.247398 0.752602 Cl\n0.247398 0.752602 0.752602 Cl\n0.247398 0.752602 0.247398 Cl\n0.752602 0.247398 0.752602 Cl\n0.752602 0.752602 0.247398 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Li",
"Tm",
"Cl"
],
"chemical_system": "Cl-Cs-Li-Tm",
"density": 3.6757900410865827,
"density_atomic": 0.03382638429752389,
"volume": 295.62722140338263,
"volume_molar": 17.803087397788552,
"formula_full": "Cs2 Li1 Tm1 Cl6",
"formula_reduced": "Cs2LiTmCl6",
"formula_anonymous": "ABC2D6",
"energy": -44.1901116,
"energy_per_atom": -4.41901116,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.5061116,
"band_gap": 5.2527,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 6.52e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.527000Z",
"spacegroup": 225
},
{
"id": "mp-1112997",
"created_at": "2022-09-04T14:45:30.851338Z",
"structure_string": "Cs2 Na1 Al1 Cl6\n1.0\n0.000000 5.227600 5.227600\n5.227600 0.000000 5.227600\n5.227600 5.227600 0.000000\nCs Na Al 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 Na\n0.000000 0.000000 0.000000 Al\n0.773886 0.226114 0.226114 Cl\n0.226114 0.226114 0.773886 Cl\n0.226114 0.773886 0.773886 Cl\n0.226114 0.773886 0.226114 Cl\n0.773886 0.226114 0.773886 Cl\n0.773886 0.773886 0.226114 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Na",
"Al",
"Cl"
],
"chemical_system": "Al-Cl-Cs-Na",
"density": 3.0715473844077845,
"density_atomic": 0.034999589967062573,
"volume": 285.71763296115193,
"volume_molar": 17.206318033060725,
"formula_full": "Cs2 Na1 Al1 Cl6",
"formula_reduced": "Cs2NaAlCl6",
"formula_anonymous": "ABC2D6",
"energy": -39.61397104,
"energy_per_atom": -3.9613971040000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.92997104,
"band_gap": 4.121300000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001219,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.105000Z",
"spacegroup": 225
},
{
"id": "mp-1112994",
"created_at": "2022-09-04T14:39:43.359688Z",
"structure_string": "Cs2 Na1 Au1 Cl6\n1.0\n0.000000 5.354741 5.354741\n5.354741 0.000000 5.354741\n5.354741 5.354741 0.000000\nCs Na Au 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 Na\n0.000000 0.000000 0.000000 Au\n0.763442 0.236558 0.236558 Cl\n0.236558 0.236558 0.763442 Cl\n0.236558 0.763442 0.763442 Cl\n0.236558 0.763442 0.236558 Cl\n0.763442 0.236558 0.763442 Cl\n0.763442 0.763442 0.236558 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Na",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-Cs-Na",
"density": 3.777121260957693,
"density_atomic": 0.032565263428044416,
"volume": 307.07566736242774,
"volume_molar": 18.492528928274776,
"formula_full": "Cs2 Na1 Au1 Cl6",
"formula_reduced": "Cs2NaAuCl6",
"formula_anonymous": "ABC2D6",
"energy": -33.29849403,
"energy_per_atom": -3.329849403,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.61449403,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9484242,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.220000Z",
"spacegroup": 225
}
]
}