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=energy_per_atom&page=11561",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=11559",
"results": [
{
"id": "mp-1114166",
"created_at": "2022-09-04T14:42:15.700516Z",
"structure_string": "Rb2 Tl1 In1 I6\n1.0\n0.000000 6.274868 6.274868\n6.274868 0.000000 6.274868\n6.274868 6.274868 0.000000\nRb Tl In 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 In\n0.735157 0.264843 0.264843 I\n0.264843 0.264843 0.735157 I\n0.264843 0.735157 0.735157 I\n0.264843 0.735157 0.264843 I\n0.735157 0.264843 0.735157 I\n0.735157 0.735157 0.264843 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Tl",
"In",
"I"
],
"chemical_system": "I-In-Rb-Tl",
"density": 4.2058936248132195,
"density_atomic": 0.020237470161698853,
"volume": 494.13290891100894,
"volume_molar": 29.75737931610354,
"formula_full": "Rb2 Tl1 In1 I6",
"formula_reduced": "Rb2TlInI6",
"formula_anonymous": "ABC2D6",
"energy": -27.45282722,
"energy_per_atom": -2.745282722,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.17882722,
"band_gap": 0.8542000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0178107,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.767000Z",
"spacegroup": 225
},
{
"id": "mp-1023280",
"created_at": "2022-09-04T14:45:04.931316Z",
"structure_string": "Mg12 Al2 Cr2\n1.0\n5.000966 0.000000 0.000000\n0.000000 6.121821 0.000000\n0.000000 0.000000 10.778977\nMg Al Cr\n12 2 2\ndirect\n0.500000 0.250757 0.416652 Mg\n0.500000 0.749243 0.416652 Mg\n0.000000 0.747777 0.085637 Mg\n0.000000 0.252223 0.085637 Mg\n0.000000 0.000000 0.331357 Mg\n0.000000 0.500000 0.330013 Mg\n0.500000 0.750757 0.916652 Mg\n0.500000 0.249243 0.916652 Mg\n0.000000 0.247777 0.585637 Mg\n0.000000 0.752223 0.585637 Mg\n0.000000 0.500000 0.831357 Mg\n0.000000 0.000000 0.830013 Mg\n0.500000 0.000000 0.166890 Al\n0.500000 0.500000 0.666890 Al\n0.500000 0.500000 0.167158 Cr\n0.500000 0.000000 0.667158 Cr\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Al",
"Cr"
],
"chemical_system": "Al-Cr-Mg",
"density": 2.2624452740416836,
"density_atomic": 0.0484850567948067,
"volume": 329.99858219643835,
"volume_molar": 12.420611953671134,
"formula_full": "Mg12 Al2 Cr2",
"formula_reduced": "Mg6AlCr",
"formula_anonymous": "ABC6",
"energy": -43.92289353,
"energy_per_atom": -2.745180845625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.92289353,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0375494,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.551000Z",
"spacegroup": 38
},
{
"id": "mp-1404837",
"created_at": "2022-09-04T14:47:19.182790Z",
"structure_string": "Zn2 Ag2 F10\n1.0\n5.504559 0.000000 0.000000\n-1.925075 5.190252 0.000000\n-1.278380 -2.821625 7.376687\nZn Ag F\n2 2 10\ndirect\n0.229241 0.483856 0.253590 Zn\n0.770759 0.516144 0.746410 Zn\n0.000000 0.000000 0.000000 Ag\n0.500000 0.000000 0.500000 Ag\n0.067134 0.816513 0.749721 F\n0.932866 0.183487 0.250279 F\n0.639330 0.775057 0.631778 F\n0.906775 0.270649 0.867490 F\n0.387604 0.294110 0.935181 F\n0.738794 0.327203 0.560159 F\n0.612396 0.705890 0.064819 F\n0.261206 0.672796 0.439841 F\n0.093225 0.729351 0.132510 F\n0.360670 0.224943 0.368222 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Ag",
"F"
],
"chemical_system": "Ag-F-Zn",
"density": 4.227441450523816,
"density_atomic": 0.06642869241828171,
"volume": 210.75230431823294,
"volume_molar": 9.065571729276819,
"formula_full": "Zn2 Ag2 F10",
"formula_reduced": "ZnAgF5",
"formula_anonymous": "ABC5",
"energy": -38.43237834,
"energy_per_atom": -2.745169881428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.81237834,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022108,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:07.775000Z",
"spacegroup": 2
},
{
"id": "mp-1227698",
"created_at": "2022-09-04T14:46:54.089406Z",
"structure_string": "Ca2 Tl1 In1\n1.0\n3.896904 0.000000 0.000000\n0.000000 3.896904 0.000000\n0.000000 0.000000 7.638914\nCa Tl In\n2 1 1\ndirect\n0.000000 0.000000 0.751076 Ca\n0.000000 0.000000 0.248924 Ca\n0.500000 0.500000 0.500000 Tl\n0.500000 0.500000 0.000000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Tl",
"In"
],
"chemical_system": "Ca-In-Tl",
"density": 5.716624812867933,
"density_atomic": 0.03448172281522972,
"volume": 116.0034845542375,
"volume_molar": 17.464732815902604,
"formula_full": "Ca2 Tl1 In1",
"formula_reduced": "Ca2TlIn",
"formula_anonymous": "ABC2",
"energy": -10.97912813,
"energy_per_atom": -2.7447820325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.97912813,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.63e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.520000Z",
"spacegroup": 123
},
{
"id": "mp-1114197",
"created_at": "2022-09-04T14:41:51.261475Z",
"structure_string": "Cs3 Ga1 I6\n1.0\n0.000000 6.434865 6.434865\n6.434865 0.000000 6.434865\n6.434865 6.434865 0.000000\nCs Ga I\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 Ga\n0.780943 0.219057 0.219057 I\n0.219057 0.219057 0.780943 I\n0.219057 0.780943 0.780943 I\n0.219057 0.780943 0.219057 I\n0.780943 0.219057 0.780943 I\n0.780943 0.780943 0.219057 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cs",
"Ga",
"I"
],
"chemical_system": "Cs-Ga-I",
"density": 3.8322924106956178,
"density_atomic": 0.01876513460948596,
"volume": 532.9031849814123,
"volume_molar": 32.09217991410383,
"formula_full": "Cs3 Ga1 I6",
"formula_reduced": "Cs3GaI6",
"formula_anonymous": "AB3C6",
"energy": -27.44750305,
"energy_per_atom": -2.744750305,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.17350305,
"band_gap": 1.1783,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.983000Z",
"spacegroup": 225
},
{
"id": "mp-1186620",
"created_at": "2022-09-04T14:39:42.464100Z",
"structure_string": "Pm2 Mg4\n1.0\n0.000000 4.320728 4.320728\n4.320728 0.000000 4.320728\n4.320728 4.320728 0.000000\nPm Mg\n2 4\ndirect\n0.750000 0.750000 0.750000 Pm\n0.500000 0.500000 0.500000 Pm\n0.125000 0.125000 0.125000 Mg\n0.625000 0.125000 0.125000 Mg\n0.125000 0.625000 0.125000 Mg\n0.125000 0.125000 0.625000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pm",
"Mg"
],
"chemical_system": "Mg-Pm",
"density": 3.985713709644102,
"density_atomic": 0.03719208046614325,
"volume": 161.3246671011569,
"volume_molar": 16.1919975557218,
"formula_full": "Pm2 Mg4",
"formula_reduced": "PmMg2",
"formula_anonymous": "AB2",
"energy": -16.46756016,
"energy_per_atom": -2.74459336,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.46756016,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0042391,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.916000Z",
"spacegroup": 227
},
{
"id": "mp-1185866",
"created_at": "2022-09-04T14:48:18.121568Z",
"structure_string": "Mg1 Ga3\n1.0\n-2.155639 2.155639 4.051777\n2.155639 -2.155639 4.051777\n2.155639 2.155639 -4.051777\nMg Ga\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Ga\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg",
"density": 5.147899154847715,
"density_atomic": 0.05311319177208835,
"volume": 75.31085718147428,
"volume_molar": 11.338314567577374,
"formula_full": "Mg1 Ga3",
"formula_reduced": "MgGa3",
"formula_anonymous": "AB3",
"energy": -10.97824299,
"energy_per_atom": -2.7445607475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.97824299,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015924,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:47.965000Z",
"spacegroup": 139
},
{
"id": "mp-27668",
"created_at": "2022-09-04T14:40:15.334002Z",
"structure_string": "Mg4 Ga10\n1.0\n-4.331063 4.331063 3.608543\n4.331063 -4.331063 3.608543\n4.331063 4.331063 -3.608543\nMg Ga\n4 10\ndirect\n0.699424 0.699424 0.398849 Mg\n0.699424 0.300576 0.000000 Mg\n0.300576 0.699424 0.000000 Mg\n0.300576 0.300576 0.601151 Mg\n0.181235 0.884305 0.703070 Ga\n0.478166 0.181235 0.296930 Ga\n0.884305 0.181235 0.703070 Ga\n0.181235 0.478166 0.296930 Ga\n0.710063 0.710063 0.000000 Ga\n0.289937 0.289937 0.000000 Ga\n0.521834 0.818765 0.703070 Ga\n0.818765 0.115695 0.296930 Ga\n0.818765 0.521834 0.703070 Ga\n0.115695 0.818765 0.296930 Ga\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg",
"density": 4.872308610853556,
"density_atomic": 0.05170674001787913,
"volume": 270.7577386460467,
"volume_molar": 11.646722957041321,
"formula_full": "Mg4 Ga10",
"formula_reduced": "Mg2Ga5",
"formula_anonymous": "A2B5",
"energy": -38.42229507,
"energy_per_atom": -2.7444496478571425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.42229507,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002943,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:53.052000Z",
"spacegroup": 139
},
{
"id": "mp-1185300",
"created_at": "2022-09-04T14:40:56.525144Z",
"structure_string": "Li1 Ag3\n1.0\n4.101537 0.000000 0.000000\n0.000000 4.101537 0.000000\n0.000000 0.000000 4.101537\nLi Ag\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Ag\n0.500000 0.000000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Ag"
],
"chemical_system": "Ag-Li",
"density": 7.955007197619895,
"density_atomic": 0.057972241176328466,
"volume": 68.99853997076968,
"volume_molar": 10.387972998461535,
"formula_full": "Li1 Ag3",
"formula_reduced": "LiAg3",
"formula_anonymous": "AB3",
"energy": -10.97622587,
"energy_per_atom": -2.7440564675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.97622587,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004672,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.434000Z",
"spacegroup": 221
},
{
"id": "mp-1111459",
"created_at": "2022-09-04T14:45:21.203437Z",
"structure_string": "K3 In1 I6\n1.0\n0.000000 6.282672 6.282672\n6.282672 0.000000 6.282672\n6.282672 6.282672 0.000000\nK In I\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 In\n0.766532 0.233468 0.233468 I\n0.233468 0.233468 0.766532 I\n0.233468 0.766532 0.766532 I\n0.233468 0.766532 0.233468 I\n0.766532 0.233468 0.766532 I\n0.766532 0.766532 0.233468 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"In",
"I"
],
"chemical_system": "I-In-K",
"density": 3.3263747455904387,
"density_atomic": 0.020162150080298157,
"volume": 495.978849486479,
"volume_molar": 29.868544455904303,
"formula_full": "K3 In1 I6",
"formula_reduced": "K3InI6",
"formula_anonymous": "AB3C6",
"energy": -27.43848807,
"energy_per_atom": -2.743848807,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.16448807,
"band_gap": 1.2778,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0017567,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.900000Z",
"spacegroup": 225
},
{
"id": "mp-1093961",
"created_at": "2022-09-04T14:47:22.363537Z",
"structure_string": "Sc2 In1 Cu1\n1.0\n-5.538293 6.116390 8.612101\n5.538293 -6.116390 8.612101\n5.538293 6.116390 -8.612101\nSc In Cu\n2 1 1\ndirect\n0.000000 0.234560 0.234560 Sc\n0.000000 0.765440 0.765440 Sc\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"In",
"Cu"
],
"chemical_system": "Cu-In-Sc",
"density": 0.38176000832671436,
"density_atomic": 0.003427834045123255,
"volume": 1166.9176358437655,
"volume_molar": 175.68355645943944,
"formula_full": "Sc2 In1 Cu1",
"formula_reduced": "Sc2InCu",
"formula_anonymous": "ABC2",
"energy": -10.97450487,
"energy_per_atom": -2.7436262175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.97450487,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0002171,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:06.854000Z",
"spacegroup": 71
},
{
"id": "mp-1009018",
"created_at": "2022-09-04T14:39:33.233565Z",
"structure_string": "In1 Ag1\n1.0\n3.510234 0.000000 0.000000\n0.000000 3.510234 0.000000\n0.000000 0.000000 3.510234\nIn Ag\n1 1\ndirect\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 2,
"nelements": 2,
"elements": [
"In",
"Ag"
],
"chemical_system": "Ag-In",
"density": 8.549371644466563,
"density_atomic": 0.04624042214589195,
"volume": 43.252200286793496,
"volume_molar": 13.023541915339141,
"formula_full": "In1 Ag1",
"formula_reduced": "InAg",
"formula_anonymous": "AB",
"energy": -5.48688848,
"energy_per_atom": -2.74344424,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.48688848,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001598,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:41.668000Z",
"spacegroup": 221
}
]
}