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=11520",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=11518",
"results": [
{
"id": "mp-1016240",
"created_at": "2022-09-04T14:45:09.409341Z",
"structure_string": "Mg3 C1\n1.0\n3.895058 0.000000 0.000000\n0.000000 3.895058 0.000000\n0.000000 0.000000 4.969680\nMg C\n3 1\ndirect\n0.500000 0.000000 0.827897 Mg\n0.500000 0.500000 0.301464 Mg\n0.000000 0.500000 0.827897 Mg\n0.000000 0.000000 0.038341 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"C"
],
"chemical_system": "C-Mg",
"density": 1.8703890422916327,
"density_atomic": 0.05305223786219868,
"volume": 75.39738493953561,
"volume_molar": 11.35134162604469,
"formula_full": "Mg3 C1",
"formula_reduced": "Mg3C",
"formula_anonymous": "AB3",
"energy": -11.29187524,
"energy_per_atom": -2.82296881,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.29187524,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002901,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:52.284000Z",
"spacegroup": 99
},
{
"id": "mp-1114168",
"created_at": "2022-09-04T14:46:09.550178Z",
"structure_string": "Rb2 Tl1 As1 I6\n1.0\n0.000000 6.170339 6.170339\n6.170339 0.000000 6.170339\n6.170339 6.170339 0.000000\nRb Tl As I\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 Tl\n0.000000 0.000000 0.000000 As\n0.766360 0.233640 0.233640 I\n0.233640 0.233640 0.766360 I\n0.233640 0.766360 0.766360 I\n0.233640 0.766360 0.233640 I\n0.766360 0.233640 0.766360 I\n0.766360 0.766360 0.233640 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Tl",
"As",
"I"
],
"chemical_system": "As-I-Rb-Tl",
"density": 4.2822835604154355,
"density_atomic": 0.021283494205296943,
"volume": 469.8476623970534,
"volume_molar": 28.294887587120144,
"formula_full": "Rb2 Tl1 As1 I6",
"formula_reduced": "Rb2TlAsI6",
"formula_anonymous": "ABC2D6",
"energy": -28.22893489,
"energy_per_atom": -2.822893489,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.95493489,
"band_gap": 0.9147999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 5.74e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.192000Z",
"spacegroup": 225
},
{
"id": "mp-1207270",
"created_at": "2022-09-04T14:48:22.356570Z",
"structure_string": "Tl2 Cu1 Te2\n1.0\n-2.187005 2.187005 8.054172\n2.187005 -2.187005 8.054172\n2.187005 2.187005 -8.054172\nTl Cu Te\n2 1 2\ndirect\n0.750000 0.250000 0.500000 Tl\n0.250000 0.750000 0.500000 Tl\n0.000000 0.000000 0.000000 Cu\n0.410395 0.410395 0.000000 Te\n0.589605 0.589605 0.000000 Te\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tl",
"Cu",
"Te"
],
"chemical_system": "Cu-Te-Tl",
"density": 7.839875640255883,
"density_atomic": 0.03244812162898058,
"volume": 154.09212456644397,
"volume_molar": 18.55928928293159,
"formula_full": "Tl2 Cu1 Te2",
"formula_reduced": "Tl2CuTe2",
"formula_anonymous": "AB2C2",
"energy": -14.11441918,
"energy_per_atom": -2.822883836,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.27041918,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020073,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:19.193000Z",
"spacegroup": 139
},
{
"id": "mp-10685",
"created_at": "2022-09-04T14:40:33.349799Z",
"structure_string": "Cd1 Cu1 Sb1\n1.0\n0.000000 3.277410 3.277410\n3.277410 0.000000 3.277410\n3.277410 3.277410 0.000000\nCd Cu Sb\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Cd\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Cd",
"Cu",
"Sb"
],
"chemical_system": "Cd-Cu-Sb",
"density": 7.021508281634952,
"density_atomic": 0.04260876392761317,
"volume": 70.40805044466006,
"volume_molar": 14.133573013830782,
"formula_full": "Cd1 Cu1 Sb1",
"formula_reduced": "CdCuSb",
"formula_anonymous": "ABC",
"energy": -8.46856232,
"energy_per_atom": -2.8228541066666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.27656232,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005225,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:59.710000Z",
"spacegroup": 216
},
{
"id": "mp-867331",
"created_at": "2022-09-04T14:39:17.211762Z",
"structure_string": "K6 In2 Au10\n1.0\n-2.854970 4.296103 9.984117\n2.854970 -4.296103 9.984117\n2.854970 4.296103 -9.984117\nK In Au\n6 2 10\ndirect\n0.293545 0.914305 0.379240 K\n0.035064 0.414305 0.620760 K\n0.630866 0.250000 0.380866 K\n0.369134 0.750000 0.619134 K\n0.964936 0.585695 0.379240 K\n0.706455 0.085695 0.620760 K\n0.915153 0.750000 0.165153 In\n0.084847 0.250000 0.834847 In\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.000000 Au\n0.686095 0.686095 0.500000 Au\n0.686095 0.186095 0.000000 Au\n0.819329 0.854725 0.964604 Au\n0.390121 0.354725 0.035396 Au\n0.609879 0.645275 0.964604 Au\n0.180671 0.145275 0.035396 Au\n0.313905 0.813905 0.000000 Au\n0.313905 0.313905 0.500000 Au\n",
"nsites": 18,
"nelements": 3,
"elements": [
"K",
"In",
"Au"
],
"chemical_system": "Au-In-K",
"density": 8.250958875071305,
"density_atomic": 0.03674740009961555,
"volume": 489.8305717195028,
"volume_molar": 16.38793695247845,
"formula_full": "K6 In2 Au10",
"formula_reduced": "K3InAu5",
"formula_anonymous": "AB3C5",
"energy": -50.80991741,
"energy_per_atom": -2.8227731894444443,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.80991741,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0057085,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:36.060000Z",
"spacegroup": 74
},
{
"id": "mp-1110821",
"created_at": "2022-09-04T14:45:21.099016Z",
"structure_string": "Rb2 Ag1 Bi1 I6\n1.0\n0.000000 6.098839 6.098839\n6.098839 0.000000 6.098839\n6.098839 6.098839 0.000000\nRb Ag Bi I\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 Ag\n0.000000 0.000000 0.000000 Bi\n0.746567 0.253433 0.253433 I\n0.253433 0.253433 0.746567 I\n0.253433 0.746567 0.746567 I\n0.253433 0.746567 0.253433 I\n0.746567 0.253433 0.746567 I\n0.746567 0.746567 0.253433 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ag",
"Bi",
"I"
],
"chemical_system": "Ag-Bi-I-Rb",
"density": 4.57207559180475,
"density_atomic": 0.022040858067937596,
"volume": 453.7028444707787,
"volume_molar": 27.322623926154172,
"formula_full": "Rb2 Ag1 Bi1 I6",
"formula_reduced": "Rb2AgBiI6",
"formula_anonymous": "ABC2D6",
"energy": -28.22731525,
"energy_per_atom": -2.822731525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.95331525,
"band_gap": 0.8272999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0457049,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:09.143000Z",
"spacegroup": 225
},
{
"id": "mp-1184492",
"created_at": "2022-09-04T14:42:21.040659Z",
"structure_string": "In3 B1\n1.0\n0.000000 3.566071 3.566071\n3.566071 0.000000 3.566071\n3.566071 3.566071 0.000000\nIn B\n3 1\ndirect\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750000 In\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 B\n",
"nsites": 4,
"nelements": 2,
"elements": [
"In",
"B"
],
"chemical_system": "B-In",
"density": 6.5043150426273355,
"density_atomic": 0.044102178089734136,
"volume": 90.69846826751395,
"volume_molar": 13.65497356558406,
"formula_full": "In3 B1",
"formula_reduced": "In3B",
"formula_anonymous": "AB3",
"energy": -11.29084265,
"energy_per_atom": -2.8227106625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.29084265,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001341,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.315000Z",
"spacegroup": 225
},
{
"id": "mp-1057320",
"created_at": "2022-09-04T14:46:02.120487Z",
"structure_string": "Ni1 Hg1\n1.0\n3.101697 0.000000 0.000000\n0.000000 3.101697 0.000000\n0.000000 0.000000 3.258154\nNi Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ni",
"Hg"
],
"chemical_system": "Hg-Ni",
"density": 13.735784312124743,
"density_atomic": 0.06380572501378863,
"volume": 31.345149664356818,
"volume_molar": 9.438245171101176,
"formula_full": "Ni1 Hg1",
"formula_reduced": "NiHg",
"formula_anonymous": "AB",
"energy": -5.64531834,
"energy_per_atom": -2.82265917,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.64531834,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005716,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:19.411000Z",
"spacegroup": 123
},
{
"id": "mp-992141",
"created_at": "2022-09-04T14:48:20.508796Z",
"structure_string": "Cs2 I1 Br1 Cl6\n1.0\n0.000000 5.685921 5.685921\n5.685921 0.000000 5.685921\n5.685921 5.685921 0.000000\nCs I Br Cl\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 I\n0.500000 0.500000 0.500000 Br\n0.228160 0.771840 0.771840 Cl\n0.228160 0.771840 0.228160 Cl\n0.771840 0.228160 0.771840 Cl\n0.771840 0.771840 0.228160 Cl\n0.228160 0.228160 0.771840 Cl\n0.771840 0.228160 0.228160 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"I",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-Cs-I",
"density": 3.095430474205742,
"density_atomic": 0.027199914593221183,
"volume": 367.64821322241283,
"volume_molar": 22.140292901878635,
"formula_full": "Cs2 I1 Br1 Cl6",
"formula_reduced": "Cs2IBrCl6",
"formula_anonymous": "ABC2D6",
"energy": -28.22651535,
"energy_per_atom": -2.822651535,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.54251535,
"band_gap": 0.8589,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0010379,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:08.922000Z",
"spacegroup": 225
},
{
"id": "mp-640340",
"created_at": "2022-09-04T14:44:07.076742Z",
"structure_string": "Ca16 Mg4 Al12\n1.0\n5.854567 0.000000 0.000000\n0.000000 6.171527 0.000000\n0.000000 0.000000 24.182834\nCa Mg Al\n16 4 12\ndirect\n0.750000 0.695690 0.289787 Ca\n0.250000 0.304310 0.710213 Ca\n0.250000 0.252163 0.122463 Ca\n0.250000 0.927693 0.359015 Ca\n0.750000 0.252163 0.377537 Ca\n0.250000 0.072307 0.859015 Ca\n0.250000 0.500854 0.955017 Ca\n0.750000 0.500854 0.544983 Ca\n0.750000 0.072307 0.640985 Ca\n0.750000 0.499146 0.044983 Ca\n0.250000 0.695690 0.210213 Ca\n0.250000 0.499146 0.455017 Ca\n0.250000 0.747837 0.622463 Ca\n0.750000 0.304310 0.789787 Ca\n0.750000 0.927693 0.140985 Ca\n0.750000 0.747837 0.877537 Ca\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.820285 0.750000 Al\n0.750000 0.252851 0.923811 Al\n0.250000 0.747149 0.076189 Al\n0.750000 0.747149 0.423811 Al\n0.000000 0.179715 0.250000 Al\n0.500000 0.179715 0.250000 Al\n0.500000 0.820285 0.750000 Al\n0.250000 0.577579 0.823711 Al\n0.750000 0.577579 0.676289 Al\n0.250000 0.422421 0.323711 Al\n0.750000 0.422421 0.176289 Al\n0.250000 0.252851 0.576189 Al\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Al"
],
"chemical_system": "Al-Ca-Mg",
"density": 2.018737184695035,
"density_atomic": 0.03662312251341817,
"volume": 873.7649278342029,
"volume_molar": 16.44354808302754,
"formula_full": "Ca16 Mg4 Al12",
"formula_reduced": "Ca4MgAl3",
"formula_anonymous": "AB3C4",
"energy": -90.32381363,
"energy_per_atom": -2.8226191759375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.32381363,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002935,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:32.396000Z",
"spacegroup": 57
},
{
"id": "mp-1185790",
"created_at": "2022-09-04T14:44:10.404940Z",
"structure_string": "Mg3 Sc1\n1.0\n4.506441 0.000000 0.000000\n0.000000 4.506441 0.000000\n0.000000 0.000000 4.506441\nMg Sc\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Sc\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Sc"
],
"chemical_system": "Mg-Sc",
"density": 2.138723654407688,
"density_atomic": 0.0437077975541095,
"volume": 91.51685108470791,
"volume_molar": 13.778183978601742,
"formula_full": "Mg3 Sc1",
"formula_reduced": "Mg3Sc",
"formula_anonymous": "AB3",
"energy": -11.28988848,
"energy_per_atom": -2.82247212,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.28988848,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0041986,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.429000Z",
"spacegroup": 221
},
{
"id": "mp-697948",
"created_at": "2022-09-04T14:45:30.386988Z",
"structure_string": "Cs8 Mg6 H20\n1.0\n3.133854 -7.334519 0.000000\n3.133854 7.334519 0.000000\n0.000000 0.000000 13.808723\nCs Mg H\n8 6 20\ndirect\n0.753331 0.246669 0.894924 Cs\n0.246669 0.753331 0.105076 Cs\n0.746669 0.253331 0.394924 Cs\n0.253331 0.746669 0.605076 Cs\n0.952587 0.047413 0.638926 Cs\n0.047413 0.952587 0.361074 Cs\n0.547413 0.452587 0.138926 Cs\n0.452587 0.547413 0.861074 Cs\n0.616284 0.383716 0.657017 Mg\n0.383716 0.616284 0.342983 Mg\n0.883716 0.116284 0.157017 Mg\n0.116284 0.883716 0.842983 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.391645 0.198736 0.539245 H\n0.198736 0.391645 0.460755 H\n0.698736 0.891645 0.039245 H\n0.891645 0.698736 0.960755 H\n0.608355 0.801264 0.460755 H\n0.801264 0.608355 0.539245 H\n0.301264 0.108355 0.960755 H\n0.108355 0.301264 0.039245 H\n0.745088 0.254912 0.651077 H\n0.254912 0.745088 0.348923 H\n0.754912 0.245088 0.151077 H\n0.245088 0.754912 0.848923 H\n0.975265 0.024735 0.859441 H\n0.024735 0.975265 0.140559 H\n0.524735 0.475265 0.359441 H\n0.475265 0.524735 0.640559 H\n0.353760 0.146240 0.750000 H\n0.146240 0.353760 0.250000 H\n0.646240 0.853760 0.250000 H\n0.853760 0.646240 0.750000 H\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Cs",
"Mg",
"H"
],
"chemical_system": "Cs-H-Mg",
"density": 3.21550500949922,
"density_atomic": 0.05356054727029333,
"volume": 634.7956048398644,
"volume_molar": 11.243613194632355,
"formula_full": "Cs8 Mg6 H20",
"formula_reduced": "Cs4Mg3H10",
"formula_anonymous": "A3B4C10",
"energy": -95.94188018,
"energy_per_atom": -2.821820005294118,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -92.36188018,
"band_gap": 3.2805,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.004291,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:03.935000Z",
"spacegroup": 64
}
]
}