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=10220",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=10218",
"results": [
{
"id": "mp-1112592",
"created_at": "2022-09-04T14:45:15.955712Z",
"structure_string": "Cs2 Cr1 Hg1 F6\n1.0\n6.674450 0.000000 0.000000\n3.337225 5.780243 0.000000\n3.337225 1.926748 5.449665\nCs Cr Hg F\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 Cr\n0.500000 0.500000 0.500000 Hg\n0.197680 0.802320 0.197680 F\n0.802320 0.802320 0.197680 F\n0.802320 0.197680 0.802320 F\n0.802320 0.197680 0.197680 F\n0.197680 0.802320 0.802320 F\n0.197680 0.197680 0.802320 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Cr",
"Hg",
"F"
],
"chemical_system": "Cr-Cs-F-Hg",
"density": 4.9946025525181295,
"density_atomic": 0.047562931405601104,
"volume": 210.24776447698892,
"volume_molar": 12.66141632155755,
"formula_full": "Cs2 Cr1 Hg1 F6",
"formula_reduced": "Cs2CrHgF6",
"formula_anonymous": "ABC2D6",
"energy": -49.17714037,
"energy_per_atom": -4.917714037,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.40614037,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.5593662,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.133000Z",
"spacegroup": 225
},
{
"id": "mp-1112591",
"created_at": "2022-09-04T14:48:27.846589Z",
"structure_string": "Cs2 Sc1 Cu1 F6\n1.0\n0.000000 4.433695 4.433695\n4.433695 0.000000 4.433695\n4.433695 4.433695 0.000000\nCs Sc Cu F\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 Sc\n0.500000 0.500000 0.500000 Cu\n0.768044 0.231956 0.231956 F\n0.231956 0.231956 0.768044 F\n0.231956 0.768044 0.768044 F\n0.231956 0.768044 0.231956 F\n0.768044 0.231956 0.768044 F\n0.768044 0.768044 0.231956 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Sc",
"Cu",
"F"
],
"chemical_system": "Cs-Cu-F-Sc",
"density": 4.6516953173943625,
"density_atomic": 0.05736837681131169,
"volume": 174.31206103130037,
"volume_molar": 10.497317676962014,
"formula_full": "Cs2 Sc1 Cu1 F6",
"formula_reduced": "Cs2ScCuF6",
"formula_anonymous": "ABC2D6",
"energy": -55.01959385,
"energy_per_atom": -5.501959385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.24759385,
"band_gap": 1.8308,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001815,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:52.727000Z",
"spacegroup": 225
},
{
"id": "mp-1112589",
"created_at": "2022-09-04T14:41:29.199755Z",
"structure_string": "Cs2 Hg1 Pd1 F6\n1.0\n0.000000 4.563794 4.563794\n4.563794 0.000000 4.563794\n4.563794 4.563794 0.000000\nCs Hg Pd 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 Hg\n0.000000 0.000000 0.000000 Pd\n0.757413 0.242587 0.242587 F\n0.242587 0.242587 0.757413 F\n0.242587 0.757413 0.757413 F\n0.242587 0.757413 0.242587 F\n0.757413 0.242587 0.757413 F\n0.757413 0.757413 0.242587 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Hg",
"Pd",
"F"
],
"chemical_system": "Cs-F-Hg-Pd",
"density": 5.9989942974890305,
"density_atomic": 0.052600746202899895,
"volume": 190.11137145139392,
"volume_molar": 11.448774389569397,
"formula_full": "Cs2 Hg1 Pd1 F6",
"formula_reduced": "Cs2HgPdF6",
"formula_anonymous": "ABC2D6",
"energy": -40.33269412,
"energy_per_atom": -4.033269412,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.56069412,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.7369475,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.827000Z",
"spacegroup": 225
},
{
"id": "mp-1112588",
"created_at": "2022-09-04T14:46:36.094183Z",
"structure_string": "Cs2 Mn1 Hg1 F6\n1.0\n6.390521 0.000000 0.000000\n3.195261 5.534354 0.000000\n3.195261 1.844785 5.217839\nCs Mn Hg F\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 Mn\n0.500000 0.500000 0.500000 Hg\n0.232119 0.767881 0.232119 F\n0.767881 0.767881 0.232119 F\n0.767881 0.232119 0.767881 F\n0.767881 0.232119 0.232119 F\n0.232119 0.767881 0.767881 F\n0.232119 0.232119 0.767881 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Mn",
"Hg",
"F"
],
"chemical_system": "Cs-F-Hg-Mn",
"density": 5.716815188024685,
"density_atomic": 0.054188374577212865,
"volume": 184.5414275298298,
"volume_molar": 11.113344526359741,
"formula_full": "Cs2 Mn1 Hg1 F6",
"formula_reduced": "Cs2MnHgF6",
"formula_anonymous": "ABC2D6",
"energy": -48.91631334,
"energy_per_atom": -4.891631334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.47631334,
"band_gap": 0.3873999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0000357,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.674000Z",
"spacegroup": 225
},
{
"id": "mp-1112586",
"created_at": "2022-09-04T14:41:19.480646Z",
"structure_string": "Cs2 Al1 In1 F6\n1.0\n0.000000 4.582762 4.582762\n4.582762 0.000000 4.582762\n4.582762 4.582762 0.000000\nCs Al In F\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 Al\n0.500000 0.500000 0.500000 In\n0.797849 0.202151 0.202151 F\n0.202151 0.202151 0.797849 F\n0.202151 0.797849 0.797849 F\n0.202151 0.797849 0.202151 F\n0.797849 0.202151 0.797849 F\n0.797849 0.797849 0.202151 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Al",
"In",
"F"
],
"chemical_system": "Al-Cs-F-In",
"density": 4.499616410682884,
"density_atomic": 0.05195030414133532,
"volume": 192.49165457807774,
"volume_molar": 11.592118389944824,
"formula_full": "Cs2 Al1 In1 F6",
"formula_reduced": "Cs2AlInF6",
"formula_anonymous": "ABC2D6",
"energy": -51.39498892,
"energy_per_atom": -5.139498892000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.62298892,
"band_gap": 4.5643,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003743,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.906000Z",
"spacegroup": 225
},
{
"id": "mp-1112583",
"created_at": "2022-09-04T14:46:10.509983Z",
"structure_string": "Cs2 K1 Ru1 F6\n1.0\n0.000000 4.629288 4.629288\n4.629288 0.000000 4.629288\n4.629288 4.629288 0.000000\nCs K Ru 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 K\n0.000000 0.000000 0.000000 Ru\n0.780136 0.219864 0.219864 F\n0.219864 0.219864 0.780136 F\n0.219864 0.780136 0.780136 F\n0.219864 0.780136 0.219864 F\n0.780136 0.219864 0.780136 F\n0.780136 0.780136 0.219864 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"K",
"Ru",
"F"
],
"chemical_system": "Cs-F-K-Ru",
"density": 4.351655166796575,
"density_atomic": 0.050399636446621,
"volume": 198.41412964538242,
"volume_molar": 11.948778174973821,
"formula_full": "Cs2 K1 Ru1 F6",
"formula_reduced": "Cs2KRuF6",
"formula_anonymous": "ABC2D6",
"energy": -49.96857321,
"energy_per_atom": -4.996857321,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.19657321,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0019021,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.434000Z",
"spacegroup": 225
},
{
"id": "mp-1112580",
"created_at": "2022-09-04T14:47:13.659604Z",
"structure_string": "Cs2 Li1 Nb1 F6\n1.0\n0.000000 4.410429 4.410429\n4.410429 0.000000 4.410429\n4.410429 4.410429 0.000000\nCs Li Nb 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 Nb\n0.757941 0.242059 0.242059 F\n0.242059 0.242059 0.757941 F\n0.242059 0.757941 0.757941 F\n0.242059 0.757941 0.242059 F\n0.757941 0.242059 0.757941 F\n0.757941 0.757941 0.242059 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Li",
"Nb",
"F"
],
"chemical_system": "Cs-F-Li-Nb",
"density": 4.6419437227933384,
"density_atomic": 0.05828106765113125,
"volume": 171.58230627928273,
"volume_molar": 10.332928003392725,
"formula_full": "Cs2 Li1 Nb1 F6",
"formula_reduced": "Cs2LiNbF6",
"formula_anonymous": "ABC2D6",
"energy": -55.22096158,
"energy_per_atom": -5.522096158,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.44896158,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9997268,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.261000Z",
"spacegroup": 225
},
{
"id": "mp-1112579",
"created_at": "2022-09-04T14:44:27.405333Z",
"structure_string": "Cs2 Li1 Au1 F6\n1.0\n0.000000 4.422464 4.422464\n4.422464 0.000000 4.422464\n4.422464 4.422464 0.000000\nCs Li Au 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 Au\n0.753427 0.246573 0.246573 F\n0.246573 0.246573 0.753427 F\n0.246573 0.753427 0.753427 F\n0.246573 0.753427 0.246573 F\n0.753427 0.246573 0.753427 F\n0.753427 0.753427 0.246573 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Li",
"Au",
"F"
],
"chemical_system": "Au-Cs-F-Li",
"density": 5.603024120362086,
"density_atomic": 0.05780655461756483,
"volume": 172.99076317828926,
"volume_molar": 10.41774726039483,
"formula_full": "Cs2 Li1 Au1 F6",
"formula_reduced": "Cs2LiAuF6",
"formula_anonymous": "ABC2D6",
"energy": -41.78206498,
"energy_per_atom": -4.178206498,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.01006498,
"band_gap": 0.5297999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.000738,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.340000Z",
"spacegroup": 225
},
{
"id": "mp-1112572",
"created_at": "2022-09-04T14:45:03.002691Z",
"structure_string": "Cs2 Li1 Pd1 F6\n1.0\n0.000000 4.370866 4.370866\n4.370866 0.000000 4.370866\n4.370866 4.370866 0.000000\nCs Li Pd 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 Pd\n0.760581 0.239419 0.239419 F\n0.239419 0.239419 0.760581 F\n0.239419 0.760581 0.760581 F\n0.239419 0.760581 0.239419 F\n0.760581 0.239419 0.760581 F\n0.760581 0.760581 0.239419 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Li",
"Pd",
"F"
],
"chemical_system": "Cs-F-Li-Pd",
"density": 4.903503781349802,
"density_atomic": 0.0598780332995665,
"volume": 167.0061531575453,
"volume_molar": 10.057345621008562,
"formula_full": "Cs2 Li1 Pd1 F6",
"formula_reduced": "Cs2LiPdF6",
"formula_anonymous": "ABC2D6",
"energy": -45.0403536,
"energy_per_atom": -4.5040353600000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.2683536,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.000588,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.647000Z",
"spacegroup": 225
},
{
"id": "mp-1112570",
"created_at": "2022-09-04T14:46:02.530671Z",
"structure_string": "Cs2 Na1 Ga1 F6\n1.0\n0.000000 4.417829 4.417829\n4.417829 0.000000 4.417829\n4.417829 4.417829 0.000000\nCs Na Ga 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 Na\n0.000000 0.000000 0.000000 Ga\n0.779122 0.220878 0.220878 F\n0.220878 0.220878 0.779122 F\n0.220878 0.779122 0.779122 F\n0.220878 0.779122 0.220878 F\n0.779122 0.220878 0.779122 F\n0.779122 0.779122 0.220878 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Na",
"Ga",
"F"
],
"chemical_system": "Cs-F-Ga-Na",
"density": 4.549955635933935,
"density_atomic": 0.05798869017557609,
"volume": 172.44741982828646,
"volume_molar": 10.385026359047563,
"formula_full": "Cs2 Na1 Ga1 F6",
"formula_reduced": "Cs2NaGaF6",
"formula_anonymous": "ABC2D6",
"energy": -48.14579936,
"energy_per_atom": -4.8145799359999994,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.37379936,
"band_gap": 5.8467,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003273,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.178000Z",
"spacegroup": 225
},
{
"id": "mp-1112569",
"created_at": "2022-09-04T14:40:41.477950Z",
"structure_string": "Cs2 Na1 Al1 F6\n1.0\n0.000000 4.375111 4.375111\n4.375111 0.000000 4.375111\n4.375111 4.375111 0.000000\nCs Na Al 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 Na\n0.000000 0.000000 0.000000 Al\n0.787186 0.212814 0.212814 F\n0.212814 0.212814 0.787186 F\n0.212814 0.787186 0.787186 F\n0.212814 0.787186 0.212814 F\n0.787186 0.212814 0.787186 F\n0.787186 0.787186 0.212814 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Na",
"Al",
"F"
],
"chemical_system": "Al-Cs-F-Na",
"density": 4.26079489824047,
"density_atomic": 0.05970391037470622,
"volume": 167.493216729679,
"volume_molar": 10.08667727491314,
"formula_full": "Cs2 Na1 Al1 F6",
"formula_reduced": "Cs2NaAlF6",
"formula_anonymous": "ABC2D6",
"energy": -52.3054218,
"energy_per_atom": -5.23054218,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.5334218,
"band_gap": 6.7033000000000005,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 3.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.448000Z",
"spacegroup": 225
},
{
"id": "mp-1112567",
"created_at": "2022-09-04T14:40:14.347379Z",
"structure_string": "Cs2 Na1 Tm1 Cl6\n1.0\n0.000000 5.424802 5.424802\n5.424802 0.000000 5.424802\n5.424802 5.424802 0.000000\nCs Na 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 Na\n0.000000 0.000000 0.000000 Tm\n0.759555 0.240445 0.240445 Cl\n0.240445 0.240445 0.759555 Cl\n0.240445 0.759555 0.759555 Cl\n0.240445 0.759555 0.240445 Cl\n0.759555 0.240445 0.759555 Cl\n0.759555 0.759555 0.240445 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Na",
"Tm",
"Cl"
],
"chemical_system": "Cl-Cs-Na-Tm",
"density": 3.4868694702707246,
"density_atomic": 0.03131975310853867,
"volume": 319.28731894357463,
"volume_molar": 19.227931775612205,
"formula_full": "Cs2 Na1 Tm1 Cl6",
"formula_reduced": "Cs2NaTmCl6",
"formula_anonymous": "ABC2D6",
"energy": -43.73480221,
"energy_per_atom": -4.3734802209999994,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.05080221,
"band_gap": 5.4487,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.29e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.786000Z",
"spacegroup": 225
}
]
}