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=12135",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=12133",
"results": [
{
"id": "mp-739212",
"created_at": "2022-09-04T14:48:27.107495Z",
"structure_string": "Sb2 F13\n1.0\n5.352293 0.000000 0.000000\n-0.654355 6.829424 0.000000\n-0.630776 -3.484289 6.839250\nSb F\n2 13\ndirect\n0.815107 0.413068 0.714905 Sb\n0.184893 0.586932 0.285095 Sb\n0.612004 0.422075 0.065430 F\n0.387996 0.577925 0.934570 F\n0.000000 0.000000 0.000000 F\n0.124005 0.643474 0.639540 F\n0.875995 0.356526 0.360460 F\n0.934771 0.172553 0.706968 F\n0.065229 0.827447 0.293032 F\n0.637608 0.783593 0.456918 F\n0.362392 0.216407 0.543082 F\n0.529660 0.130303 0.828196 F\n0.470340 0.869697 0.171804 F\n0.724205 0.592954 0.764975 F\n0.275795 0.407046 0.235025 F\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Sb",
"F"
],
"chemical_system": "F-Sb",
"density": 3.258029424086303,
"density_atomic": 0.06000104628556211,
"volume": 249.99564055284497,
"volume_molar": 10.036726245303976,
"formula_full": "Sb2 F13",
"formula_reduced": "Sb2F13",
"formula_anonymous": "A2B13",
"energy": -17.49934177,
"energy_per_atom": -1.1666227846666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.49334177,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0230287,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:36.618000Z",
"spacegroup": 2
},
{
"id": "mp-31216",
"created_at": "2022-09-04T14:41:25.159952Z",
"structure_string": "Ba2 Cd22\n1.0\n-6.125469 6.125469 3.950602\n6.125469 -6.125469 3.950602\n6.125469 6.125469 -3.950602\nBa Cd\n2 22\ndirect\n0.750000 0.250000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.922277 0.005959 0.325581 Cd\n0.680378 0.596697 0.674419 Cd\n0.250000 0.750000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.125000 0.875000 0.250000 Cd\n0.125000 0.375000 0.250000 Cd\n0.125000 0.875000 0.750000 Cd\n0.625000 0.875000 0.750000 Cd\n0.922277 0.596697 0.916319 Cd\n0.846697 0.430378 0.174419 Cd\n0.255959 0.672277 0.825581 Cd\n0.680378 0.005959 0.083681 Cd\n0.403303 0.077723 0.083681 Cd\n0.994041 0.319622 0.916319 Cd\n0.569622 0.153303 0.825581 Cd\n0.327723 0.744041 0.174419 Cd\n0.327723 0.153303 0.583681 Cd\n0.403303 0.319622 0.325581 Cd\n0.994041 0.077723 0.674419 Cd\n0.569622 0.744041 0.416319 Cd\n0.846697 0.672277 0.416319 Cd\n0.255959 0.430378 0.583681 Cd\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Ba",
"Cd"
],
"chemical_system": "Ba-Cd",
"density": 7.695127424486947,
"density_atomic": 0.04047708963356457,
"volume": 592.9280048854754,
"volume_molar": 14.87789960819292,
"formula_full": "Ba2 Cd22",
"formula_reduced": "BaCd11",
"formula_anonymous": "AB11",
"energy": -27.984127110000003,
"energy_per_atom": -1.16600529625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.984127110000003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001809,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:17.957000Z",
"spacegroup": 141
},
{
"id": "mp-1232419",
"created_at": "2022-09-04T14:42:16.581585Z",
"structure_string": "Cs3 Ac1\n1.0\n0.000000 5.484541 5.484541\n5.484541 0.000000 5.484541\n5.484541 5.484541 0.000000\nCs Ac\n3 1\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 Ac\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cs",
"Ac"
],
"chemical_system": "Ac-Cs",
"density": 3.149022376973841,
"density_atomic": 0.01212297287378052,
"volume": 329.95207047366836,
"volume_molar": 49.67544531114677,
"formula_full": "Cs3 Ac1",
"formula_reduced": "Cs3Ac",
"formula_anonymous": "AB3",
"energy": -4.66368375,
"energy_per_atom": -1.1659209375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.66368375,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0033589,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.412000Z",
"spacegroup": 225
},
{
"id": "mp-1016273",
"created_at": "2022-09-04T14:42:27.263720Z",
"structure_string": "Cs2 Mg12 Cd2\n1.0\n5.443212 0.000000 0.000000\n0.000000 6.957634 0.000000\n0.000000 0.000000 12.191940\nCs Mg Cd\n2 12 2\ndirect\n0.500000 0.000000 0.166941 Cs\n0.500000 0.500000 0.666941 Cs\n0.500000 0.243656 0.417821 Mg\n0.500000 0.756344 0.417821 Mg\n0.000000 0.724491 0.075268 Mg\n0.000000 0.275509 0.075268 Mg\n0.000000 0.000000 0.350917 Mg\n0.000000 0.500000 0.333689 Mg\n0.500000 0.743656 0.917821 Mg\n0.500000 0.256344 0.917821 Mg\n0.000000 0.224491 0.575268 Mg\n0.000000 0.775509 0.575268 Mg\n0.000000 0.500000 0.850917 Mg\n0.000000 0.000000 0.833689 Mg\n0.500000 0.500000 0.162271 Cd\n0.500000 0.000000 0.662271 Cd\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cs",
"Mg",
"Cd"
],
"chemical_system": "Cd-Cs-Mg",
"density": 2.8133828957974774,
"density_atomic": 0.034652162091871073,
"volume": 461.7316506133215,
"volume_molar": 17.378831208378518,
"formula_full": "Cs2 Mg12 Cd2",
"formula_reduced": "CsMg6Cd",
"formula_anonymous": "ABC6",
"energy": -18.64769135,
"energy_per_atom": -1.165480709375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.64769135,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024159,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.591000Z",
"spacegroup": 38
},
{
"id": "mp-1098082",
"created_at": "2022-09-04T14:47:10.498741Z",
"structure_string": "Cs1 Rb1 Mg6\n1.0\n5.042742 0.000000 0.000000\n0.000000 7.539919 0.000000\n0.000000 3.603194 7.907459\nCs Rb Mg\n1 1 6\ndirect\n0.000000 0.819561 0.863140 Cs\n0.000000 0.324669 0.852261 Rb\n0.000000 0.328147 0.342150 Mg\n0.000000 0.830669 0.342228 Mg\n0.500000 0.223541 0.553368 Mg\n0.500000 0.724096 0.552936 Mg\n0.500000 0.126261 0.244027 Mg\n0.500000 0.623055 0.249891 Mg\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cs",
"Rb",
"Mg"
],
"chemical_system": "Cs-Mg-Rb",
"density": 2.011511586368147,
"density_atomic": 0.026608451966249082,
"volume": 300.6563482215135,
"volume_molar": 22.632435617219127,
"formula_full": "Cs1 Rb1 Mg6",
"formula_reduced": "CsRbMg6",
"formula_anonymous": "ABC6",
"energy": -9.31082591,
"energy_per_atom": -1.16385323875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.31082591,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0141611,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.342000Z",
"spacegroup": 6
},
{
"id": "mp-1095934",
"created_at": "2022-09-04T14:42:06.517645Z",
"structure_string": "Ba2 Zn1 Au1\n1.0\n-6.346188 6.643510 9.407967\n6.346188 -6.643510 9.407967\n6.346188 6.643510 -9.407967\nBa Zn Au\n2 1 1\ndirect\n0.000000 0.255638 0.255638 Ba\n0.000000 0.744362 0.744362 Ba\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Au"
],
"chemical_system": "Au-Ba-Zn",
"density": 0.5620578178165135,
"density_atomic": 0.0025211209890151818,
"volume": 1586.59581092239,
"volume_molar": 238.86758256502443,
"formula_full": "Ba2 Zn1 Au1",
"formula_reduced": "Ba2ZnAu",
"formula_anonymous": "ABC2",
"energy": -4.65063535,
"energy_per_atom": -1.1626588375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.65063535,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.0352582,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.175000Z",
"spacegroup": 71
},
{
"id": "mp-30491",
"created_at": "2022-09-04T14:41:51.406945Z",
"structure_string": "Mg2 Cd6\n1.0\n3.178666 -5.505612 0.000000\n3.178666 5.505612 0.000000\n0.000000 0.000000 5.042172\nMg Cd\n2 6\ndirect\n0.666667 0.333333 0.750000 Mg\n0.333333 0.666667 0.250000 Mg\n0.665962 0.832981 0.750000 Cd\n0.334038 0.167019 0.250000 Cd\n0.832981 0.167019 0.250000 Cd\n0.167019 0.334038 0.750000 Cd\n0.167019 0.832981 0.750000 Cd\n0.832981 0.665962 0.250000 Cd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 6.80353923825999,
"density_atomic": 0.0453306385200381,
"volume": 176.48107904907747,
"volume_molar": 13.284923743877892,
"formula_full": "Mg2 Cd6",
"formula_reduced": "MgCd3",
"formula_anonymous": "AB3",
"energy": -9.29627799,
"energy_per_atom": -1.16203474875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.29627799,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014965,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:29.750000Z",
"spacegroup": 194
},
{
"id": "mp-1093904",
"created_at": "2022-09-04T14:39:11.015889Z",
"structure_string": "Rb1 Na2 Bi1\n1.0\n-6.919010 7.225098 10.180580\n6.919010 -7.225098 10.180580\n6.919010 7.225098 -10.180580\nRb Na Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.276311 0.276311 Na\n0.000000 0.723689 0.723689 Na\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Na",
"Bi"
],
"chemical_system": "Bi-Na-Rb",
"density": 0.27768589762394347,
"density_atomic": 0.001964896950183748,
"volume": 2035.730168763272,
"volume_molar": 306.4863406417745,
"formula_full": "Rb1 Na2 Bi1",
"formula_reduced": "RbNa2Bi",
"formula_anonymous": "ABC2",
"energy": -4.64684941,
"energy_per_atom": -1.1617123525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.64684941,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0022979,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.386000Z",
"spacegroup": 71
},
{
"id": "mp-1427168",
"created_at": "2022-09-04T14:39:47.752662Z",
"structure_string": "Mo2 Cl10\n1.0\n6.468354 0.000000 0.000000\n-3.130598 6.207553 0.000000\n-0.220754 -3.695451 8.745751\nMo Cl\n2 10\ndirect\n0.391017 0.000658 0.714265 Mo\n0.608983 0.999342 0.285735 Mo\n0.772393 0.221583 0.461509 Cl\n0.759108 0.782005 0.354251 Cl\n0.227607 0.778417 0.538491 Cl\n0.595682 0.234431 0.835057 Cl\n0.240892 0.217995 0.645749 Cl\n0.404318 0.765569 0.164943 Cl\n0.977401 0.229315 0.077456 Cl\n0.554853 0.774443 0.737955 Cl\n0.445147 0.225557 0.262045 Cl\n0.022599 0.770685 0.922544 Cl\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mo",
"Cl"
],
"chemical_system": "Cl-Mo",
"density": 2.583785232779673,
"density_atomic": 0.03417196252803367,
"volume": 351.1650813193873,
"volume_molar": 17.623046247518307,
"formula_full": "Mo2 Cl10",
"formula_reduced": "MoCl5",
"formula_anonymous": "AB5",
"energy": -13.93992711,
"energy_per_atom": -1.1616605924999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.799927109999999,
"band_gap": 0.0066,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0027272,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.727000Z",
"spacegroup": 2
},
{
"id": "mp-1096496",
"created_at": "2022-09-04T14:48:28.252718Z",
"structure_string": "Na1 Zn2 Au1\n1.0\n-5.457809 5.861990 8.271718\n5.457809 -5.861990 8.271718\n5.457809 5.861990 -8.271718\nNa Zn Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.266889 0.266889 Zn\n0.000000 0.733111 0.733111 Zn\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Zn",
"Au"
],
"chemical_system": "Au-Na-Zn",
"density": 0.5502471398185703,
"density_atomic": 0.0037786866008138634,
"volume": 1058.5688686482943,
"volume_molar": 159.37126827884947,
"formula_full": "Na1 Zn2 Au1",
"formula_reduced": "NaZn2Au",
"formula_anonymous": "ABC2",
"energy": -4.6406024,
"energy_per_atom": -1.1601506,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.6406024,
"band_gap": 1.2132,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.11e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:17.812000Z",
"spacegroup": 71
},
{
"id": "mp-1096468",
"created_at": "2022-09-04T14:42:20.324862Z",
"structure_string": "Li1 Zn2 Cu1\n1.0\n-4.662553 5.057437 6.532385\n4.662553 -5.057437 6.532385\n4.662553 5.057437 -6.532385\nLi Zn Cu\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.741262 0.000000 0.741262 Zn\n0.258738 0.000000 0.258738 Zn\n0.500000 0.000000 0.500000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Zn",
"Cu"
],
"chemical_system": "Cu-Li-Zn",
"density": 0.5425223473906745,
"density_atomic": 0.0064919320286357845,
"volume": 616.1493962592459,
"volume_molar": 92.76345983655492,
"formula_full": "Li1 Zn2 Cu1",
"formula_reduced": "LiZn2Cu",
"formula_anonymous": "ABC2",
"energy": -4.63993638,
"energy_per_atom": -1.159984095,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.63993638,
"band_gap": 1.4406,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005932,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.350000Z",
"spacegroup": 71
},
{
"id": "mp-1100149",
"created_at": "2022-09-04T14:39:17.914783Z",
"structure_string": "Cs1 Rb1 Mg6\n1.0\n3.185670 -8.361789 0.000000\n3.185670 8.361789 0.000000\n0.000000 0.000000 5.549269\nCs Rb Mg\n1 1 6\ndirect\n0.314564 0.685436 0.500000 Cs\n0.815688 0.184312 0.500000 Rb\n0.323397 0.174441 0.500000 Mg\n0.825559 0.676603 0.500000 Mg\n0.220592 0.272171 0.000000 Mg\n0.727829 0.779408 0.000000 Mg\n0.638466 0.361534 0.000000 Mg\n0.133908 0.866092 0.000000 Mg\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cs",
"Rb",
"Mg"
],
"chemical_system": "Cs-Mg-Rb",
"density": 2.0456303250030876,
"density_atomic": 0.02705977763808176,
"volume": 295.64174942596134,
"volume_molar": 22.254952869697355,
"formula_full": "Cs1 Rb1 Mg6",
"formula_reduced": "CsRbMg6",
"formula_anonymous": "ABC6",
"energy": -9.27478075,
"energy_per_atom": -1.15934759375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.27478075,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0231899,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.691000Z",
"spacegroup": 38
}
]
}