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=31",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=29",
"results": [
{
"id": "mp-723973",
"created_at": "2022-09-04T14:44:53.464514Z",
"structure_string": "Sc4 Se6\n1.0\n6.658716 0.000000 0.000000\n-1.157042 6.591017 0.000000\n-1.149315 -3.517864 5.576170\nSc Se\n4 6\ndirect\n0.000381 0.991072 0.001896 Sc\n0.499958 0.512437 0.829340 Sc\n0.500858 0.494373 0.168888 Sc\n0.000396 0.006982 0.663959 Sc\n0.752616 0.753657 0.240945 Se\n0.748602 0.747233 0.591664 Se\n0.751681 0.746013 0.918767 Se\n0.249971 0.231610 0.763404 Se\n0.251858 0.270620 0.068999 Se\n0.250870 0.252056 0.415986 Se\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Sc",
"Se"
],
"chemical_system": "Sc-Se",
"density": 4.43477250082972,
"density_atomic": 0.04086213651386073,
"volume": 244.72533384562328,
"volume_molar": 14.737704079563356,
"formula_full": "Sc4 Se6",
"formula_reduced": "Sc2Se3",
"formula_anonymous": "A2B3",
"energy": -8.75213818,
"energy_per_atom": -0.875213818,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.92013818,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.5566664,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.924000Z",
"spacegroup": 1
},
{
"id": "mp-973824",
"created_at": "2022-09-04T14:42:46.533313Z",
"structure_string": "Li1 Hg3\n1.0\n0.000000 3.584509 3.584509\n3.584509 0.000000 3.584509\n3.584509 3.584509 0.000000\nLi Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Hg"
],
"chemical_system": "Hg-Li",
"density": 10.973400404186787,
"density_atomic": 0.04342511429738626,
"volume": 92.11259578056558,
"volume_molar": 13.867875438988701,
"formula_full": "Li1 Hg3",
"formula_reduced": "LiHg3",
"formula_anonymous": "AB3",
"energy": -3.50963883,
"energy_per_atom": -0.8774097075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.50963883,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014348,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.045000Z",
"spacegroup": 225
},
{
"id": "mp-1369597",
"created_at": "2022-09-04T14:43:46.529558Z",
"structure_string": "Li2 Cr1 Si7 O16\n1.0\n7.312665 0.000000 0.000000\n-1.873187 7.403394 0.000000\n-1.854643 -4.089319 6.248137\nLi Cr Si O\n2 1 7 16\ndirect\n0.592512 0.844923 0.736924 Li\n0.303143 0.906781 0.337691 Li\n0.752056 0.773223 0.388399 Cr\n0.043947 0.782566 0.799904 Si\n0.270669 0.239737 0.568583 Si\n0.453434 0.351761 0.832442 Si\n0.138266 0.672903 0.148388 Si\n0.533093 0.657170 0.176992 Si\n0.886001 0.350990 0.836374 Si\n0.956488 0.235827 0.213334 Si\n0.396323 0.249118 0.693171 O\n0.179155 0.789869 0.914515 O\n0.790270 0.753468 0.959848 O\n0.040475 0.274079 0.677695 O\n0.968675 0.433456 0.259526 O\n0.555241 0.594877 0.710047 O\n0.194306 0.007498 0.580935 O\n0.400792 0.707814 0.062855 O\n0.637421 0.281164 0.867911 O\n0.797810 0.033150 0.436323 O\n0.028103 0.602823 0.728033 O\n0.440935 0.408760 0.314750 O\n0.061563 0.776244 0.301098 O\n0.215741 0.253138 0.069616 O\n0.849173 0.244984 0.066596 O\n0.514408 0.773678 0.318051 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Si",
"O"
],
"chemical_system": "Cr-Li-O-Si",
"density": 2.5451485296383907,
"density_atomic": 0.07686281100880883,
"volume": 338.2650160559478,
"volume_molar": 7.834921311048374,
"formula_full": "Li2 Cr1 Si7 O16",
"formula_reduced": "Li2CrSi7O16",
"formula_anonymous": "AB2C7D16",
"energy": -22.82174243,
"energy_per_atom": -0.8777593242307693,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.24674243,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.219728,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.145000Z",
"spacegroup": 1
},
{
"id": "mp-1093799",
"created_at": "2022-09-04T14:46:10.279084Z",
"structure_string": "Na1 Ca2 Al1\n1.0\n-6.526372 6.809046 9.661957\n6.526372 -6.809046 9.661957\n6.526372 6.809046 -9.661957\nNa Ca Al\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.276054 0.276054 Ca\n0.000000 0.723946 0.723946 Ca\n0.000000 0.500000 0.500000 Al\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Ca",
"Al"
],
"chemical_system": "Al-Ca-Na",
"density": 0.125815560858103,
"density_atomic": 0.002329039245924897,
"volume": 1717.446370643505,
"volume_molar": 258.56759479415797,
"formula_full": "Na1 Ca2 Al1",
"formula_reduced": "NaCa2Al",
"formula_anonymous": "ABC2",
"energy": -3.51348858,
"energy_per_atom": -0.878372145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.51348858,
"band_gap": 0.1318999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0007671,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.034000Z",
"spacegroup": 71
},
{
"id": "mp-11466",
"created_at": "2022-09-04T14:43:23.361041Z",
"structure_string": "Na1 Hg2\n1.0\n2.601532 -4.505986 0.000000\n2.601532 4.505986 0.000000\n0.000000 0.000000 3.348606\nNa Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.666667 0.333333 0.500000 Hg\n0.333333 0.666667 0.500000 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Na",
"Hg"
],
"chemical_system": "Hg-Na",
"density": 8.971720872425093,
"density_atomic": 0.03821274160831104,
"volume": 78.50784512534212,
"volume_molar": 15.759509803636336,
"formula_full": "Na1 Hg2",
"formula_reduced": "NaHg2",
"formula_anonymous": "AB2",
"energy": -2.63769575,
"energy_per_atom": -0.8792319166666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.63769575,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0239627,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:13.791000Z",
"spacegroup": 191
},
{
"id": "mp-1097457",
"created_at": "2022-09-04T14:44:26.932198Z",
"structure_string": "Sr2 Li1 Al1\n1.0\n-6.373902 6.682265 9.005028\n6.373902 -6.682265 9.005028\n6.373902 6.682265 -9.005028\nSr Li Al\n2 1 1\ndirect\n0.269793 0.000000 0.269793 Sr\n0.730207 0.000000 0.730207 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Al\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Li",
"Al"
],
"chemical_system": "Al-Li-Sr",
"density": 0.2263908481033897,
"density_atomic": 0.002607269090633496,
"volume": 1534.1722932894922,
"volume_molar": 230.97503750703316,
"formula_full": "Sr2 Li1 Al1",
"formula_reduced": "Sr2LiAl",
"formula_anonymous": "ABC2",
"energy": -3.51819297,
"energy_per_atom": -0.8795482425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.51819297,
"band_gap": 0.0294999999999996,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 2.0112578,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.277000Z",
"spacegroup": 71
},
{
"id": "mp-1093668",
"created_at": "2022-09-04T14:47:57.087284Z",
"structure_string": "Ca2 Cd1 Ag1\n1.0\n-6.424899 6.445594 9.093475\n6.424899 -6.445594 9.093475\n6.424899 6.445594 -9.093475\nCa Cd Ag\n2 1 1\ndirect\n0.000000 0.235269 0.235269 Ca\n0.000000 0.764731 0.764731 Ca\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Cd",
"Ag"
],
"chemical_system": "Ag-Ca-Cd",
"density": 0.3311927280044247,
"density_atomic": 0.002655466772762036,
"volume": 1506.3265114176036,
"volume_molar": 226.7827570569139,
"formula_full": "Ca2 Cd1 Ag1",
"formula_reduced": "Ca2CdAg",
"formula_anonymous": "ABC2",
"energy": -3.52443568,
"energy_per_atom": -0.88110892,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.52443568,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030042,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.165000Z",
"spacegroup": 71
},
{
"id": "mp-1185337",
"created_at": "2022-09-04T14:47:58.957675Z",
"structure_string": "Li1 Hg3\n1.0\n-2.322143 2.322143 4.299339\n2.322143 -2.322143 4.299339\n2.322143 2.322143 -4.299339\nLi Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.250000 0.500000 Hg\n0.250000 0.750000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Hg"
],
"chemical_system": "Hg-Li",
"density": 10.89985309575773,
"density_atomic": 0.04313406501847922,
"volume": 92.73413016571348,
"volume_molar": 13.961449627852218,
"formula_full": "Li1 Hg3",
"formula_reduced": "LiHg3",
"formula_anonymous": "AB3",
"energy": -3.52583899,
"energy_per_atom": -0.8814597475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.52583899,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0037808,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.162000Z",
"spacegroup": 139
},
{
"id": "mp-976220",
"created_at": "2022-09-04T14:42:57.058472Z",
"structure_string": "Na1 Cd1 Hg2\n1.0\n0.000000 3.674640 3.674640\n3.674640 0.000000 3.674640\n3.674640 3.674640 0.000000\nNa Cd Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Na",
"density": 8.978624539098846,
"density_atomic": 0.04030747572029646,
"volume": 99.2371744575867,
"volume_molar": 14.940505830206595,
"formula_full": "Na1 Cd1 Hg2",
"formula_reduced": "NaCdHg2",
"formula_anonymous": "ABC2",
"energy": -3.53579034,
"energy_per_atom": -0.883947585,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.53579034,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0036925,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.821000Z",
"spacegroup": 225
},
{
"id": "mp-1079267",
"created_at": "2022-09-04T14:44:12.585565Z",
"structure_string": "Li2 Hg6\n1.0\n3.194531 -5.533091 0.000000\n3.194531 5.533091 0.000000\n0.000000 0.000000 5.251122\nLi Hg\n2 6\ndirect\n0.333333 0.666667 0.250000 Li\n0.666667 0.333333 0.750000 Li\n0.830402 0.169598 0.250000 Hg\n0.830402 0.660805 0.250000 Hg\n0.339195 0.169598 0.250000 Hg\n0.169598 0.830402 0.750000 Hg\n0.169598 0.339195 0.750000 Hg\n0.660805 0.830402 0.750000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Li",
"Hg"
],
"chemical_system": "Hg-Li",
"density": 10.89013388745539,
"density_atomic": 0.043095603127373136,
"volume": 185.6337867312181,
"volume_molar": 13.973909918840196,
"formula_full": "Li2 Hg6",
"formula_reduced": "LiHg3",
"formula_anonymous": "AB3",
"energy": -7.07692322,
"energy_per_atom": -0.8846154025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.07692322,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0226735,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:30.420000Z",
"spacegroup": 194
},
{
"id": "mp-1096053",
"created_at": "2022-09-04T14:46:13.045419Z",
"structure_string": "Na1 Sr1 Tl2\n1.0\n-6.439250 6.876289 9.855776\n6.439250 -6.876289 9.855776\n6.439250 6.876289 -9.855776\nNa Sr Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Sr\n0.000000 0.243402 0.243402 Tl\n0.000000 0.756598 0.756598 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Sr",
"Tl"
],
"chemical_system": "Na-Sr-Tl",
"density": 0.4940729303511832,
"density_atomic": 0.0022914995054037035,
"volume": 1745.581873601715,
"volume_molar": 262.80349377335136,
"formula_full": "Na1 Sr1 Tl2",
"formula_reduced": "NaSrTl2",
"formula_anonymous": "ABC2",
"energy": -3.54170171,
"energy_per_atom": -0.8854254275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.54170171,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.3367424,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:26.988000Z",
"spacegroup": 71
},
{
"id": "mp-729544",
"created_at": "2022-09-04T14:46:21.984011Z",
"structure_string": "Ca4 Al2 H22 C1 O20\n1.0\n5.832730 0.000000 0.000000\n-1.272348 -8.482762 0.000000\n0.045991 4.287901 -8.996997\nCa Al H C O\n4 2 22 1 20\ndirect\n0.521733 0.689451 0.193295 Ca\n0.483854 0.312904 0.804947 Ca\n0.018085 0.695673 0.687745 Ca\n0.980534 0.317317 0.304668 Ca\n0.001079 0.004003 0.998320 Al\n0.494295 0.003354 0.493224 Al\n0.181769 0.737086 0.007550 H\n0.835867 0.303115 0.972968 H\n0.319122 0.177932 0.038197 H\n0.692907 0.816818 0.965872 H\n0.344279 0.284295 0.481724 H\n0.663071 0.739113 0.500123 H\n0.807652 0.152825 0.547923 H\n0.169800 0.810371 0.466955 H\n0.990582 0.265504 0.742672 H\n0.019368 0.730570 0.259464 H\n0.506895 0.748174 0.748545 H\n0.482680 0.292470 0.227912 H\n0.690901 0.947261 0.261394 H\n0.434254 0.833219 0.309137 H\n0.293817 0.059470 0.730140 H\n0.560148 0.167713 0.689616 H\n0.060636 0.178980 0.189677 H\n0.863251 0.394654 0.077137 H\n0.491828 0.496673 0.001393 H\n0.227339 0.537082 0.962744 H\n0.979331 0.528162 0.479152 H\n0.242836 0.479011 0.523818 H\n0.883524 0.868687 0.800399 C\n0.149016 0.715790 0.075463 O\n0.846840 0.298664 0.914075 O\n0.304790 0.083489 0.024915 O\n0.695980 0.909059 0.980053 O\n0.343746 0.293417 0.415989 O\n0.640812 0.713929 0.570827 O\n0.797779 0.088552 0.517187 O\n0.187675 0.915442 0.473915 O\n0.074825 0.279126 0.795253 O\n0.928169 0.734757 0.200007 O\n0.425099 0.732751 0.696497 O\n0.571176 0.277979 0.292162 O\n0.583020 0.791352 0.310683 O\n0.402971 0.211962 0.685380 O\n0.903022 0.210571 0.186476 O\n0.343062 0.400860 0.049778 O\n0.129876 0.626516 0.440012 O\n0.756899 0.674500 0.914549 O\n0.079658 0.809760 0.801202 O\n0.816097 0.117699 0.685908 O\n",
"nsites": 49,
"nelements": 5,
"elements": [
"Ca",
"Al",
"H",
"C",
"O"
],
"chemical_system": "Al-C-Ca-H-O",
"density": 2.1204764742617765,
"density_atomic": 0.11007516597119713,
"volume": 445.15036218815794,
"volume_molar": 5.470934980534834,
"formula_full": "Ca4 Al2 H22 C1 O20",
"formula_reduced": "Ca4Al2H22CO20",
"formula_anonymous": "AB2C4D20E22",
"energy": -43.48643634,
"energy_per_atom": -0.8874782926530612,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.74643634,
"band_gap": 0.0041999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0010393,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.682000Z",
"spacegroup": 1
}
]
}