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=nelements&page=34",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=32",
"results": [
{
"id": "mp-143",
"created_at": "2022-09-04T14:40:26.215768Z",
"structure_string": "Tm2\n1.0\n1.781323 -3.085341 0.000000\n1.781323 3.085341 0.000000\n0.000000 0.000000 5.513155\nTm\n2\ndirect\n0.333333 0.666667 0.250000 Tm\n0.666667 0.333333 0.750000 Tm\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Tm"
],
"chemical_system": "Tm",
"density": 9.258074136749464,
"density_atomic": 0.03300304043644443,
"volume": 60.60047721516743,
"volume_molar": 18.247230195645557,
"formula_full": "Tm2",
"formula_reduced": "Tm",
"formula_anonymous": "A",
"energy": -8.94449395,
"energy_per_atom": -4.472246975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.94449395,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4632692,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:48.664000Z",
"spacegroup": 194
},
{
"id": "mp-7163",
"created_at": "2022-09-04T14:40:14.908624Z",
"structure_string": "Tb1\n1.0\n0.000000 2.517929 2.517929\n2.517929 0.000000 2.517929\n2.517929 2.517929 0.000000\nTb\n1\ndirect\n0.000000 0.000000 0.000000 Tb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Tb"
],
"chemical_system": "Tb",
"density": 8.265741875915388,
"density_atomic": 0.03132128454006295,
"volume": 31.927170762134715,
"volume_molar": 19.226991639813175,
"formula_full": "Tb1",
"formula_reduced": "Tb",
"formula_anonymous": "A",
"energy": -4.61548096,
"energy_per_atom": -4.61548096,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.61548096,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023243,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.487000Z",
"spacegroup": 225
},
{
"id": "mp-1198022",
"created_at": "2022-09-04T14:40:06.625836Z",
"structure_string": "Ge34\n1.0\n0.000000 7.726817 7.726817\n7.726817 0.000000 7.726817\n7.726817 7.726817 0.000000\nGe\n34\ndirect\n0.500000 0.500000 0.500000 Ge\n0.750000 0.750000 0.750000 Ge\n0.473715 0.842095 0.842095 Ge\n0.842095 0.473715 0.842095 Ge\n0.842095 0.842095 0.473715 Ge\n0.842095 0.842095 0.842095 Ge\n0.776285 0.407905 0.407905 Ge\n0.407905 0.776285 0.407905 Ge\n0.407905 0.407905 0.776285 Ge\n0.407905 0.407905 0.407905 Ge\n0.389344 0.995453 0.995453 Ge\n0.995453 0.389344 0.619749 Ge\n0.995453 0.619749 0.389344 Ge\n0.619749 0.995453 0.995453 Ge\n0.995453 0.995453 0.389344 Ge\n0.389344 0.619749 0.995453 Ge\n0.619749 0.389344 0.995453 Ge\n0.995453 0.995453 0.619749 Ge\n0.995453 0.389344 0.995453 Ge\n0.619749 0.995453 0.389344 Ge\n0.389344 0.995453 0.619749 Ge\n0.995453 0.619749 0.995453 Ge\n0.860656 0.254547 0.254547 Ge\n0.254547 0.860656 0.630251 Ge\n0.254547 0.630251 0.860656 Ge\n0.630251 0.254547 0.254547 Ge\n0.254547 0.254547 0.860656 Ge\n0.860656 0.630251 0.254547 Ge\n0.630251 0.860656 0.254547 Ge\n0.254547 0.254547 0.630251 Ge\n0.254547 0.860656 0.254547 Ge\n0.630251 0.254547 0.860656 Ge\n0.860656 0.254547 0.630251 Ge\n0.254547 0.630251 0.254547 Ge\n",
"nsites": 34,
"nelements": 1,
"elements": [
"Ge"
],
"chemical_system": "Ge",
"density": 4.445002140288905,
"density_atomic": 0.03685081026510414,
"volume": 922.6391429497627,
"volume_molar": 16.34194938096833,
"formula_full": "Ge34",
"formula_reduced": "Ge",
"formula_anonymous": "A",
"energy": -156.33740326,
"energy_per_atom": -4.598158919411765,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -156.33740326,
"band_gap": 1.1428,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0031995,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:48.280000Z",
"spacegroup": 227
},
{
"id": "mp-1245190",
"created_at": "2022-09-04T14:39:33.825755Z",
"structure_string": "C100\n1.0\n10.200650 0.029229 -0.313752\n0.036144 10.418864 -0.129847\n-0.316005 -0.118581 10.532437\nC\n100\ndirect\n0.020024 0.729011 0.744819 C\n0.955536 0.667969 0.645795 C\n0.376616 0.463696 0.726293 C\n0.749409 0.289837 0.867570 C\n0.889802 0.700264 0.956755 C\n0.261149 0.979015 0.626477 C\n0.798091 0.350518 0.431571 C\n0.188686 0.204063 0.873386 C\n0.208484 0.715592 0.105892 C\n0.212851 0.902976 0.256220 C\n0.921236 0.218827 0.599467 C\n0.878308 0.340109 0.553135 C\n0.427934 0.993404 0.446310 C\n0.506316 0.083809 0.382983 C\n0.428863 0.442597 0.861239 C\n0.124388 0.604102 0.909065 C\n0.842864 0.878269 0.279866 C\n0.021187 0.053337 0.203870 C\n0.397207 0.989708 0.574202 C\n0.907903 0.951094 0.772455 C\n0.099002 0.843259 0.714381 C\n0.463010 0.791153 0.774770 C\n0.553394 0.332034 0.645109 C\n0.449876 0.878272 0.008180 C\n0.252522 0.504575 0.727198 C\n0.866657 0.617771 0.192624 C\n0.226071 0.299468 0.341779 C\n0.894511 0.383818 0.312444 C\n0.095922 0.973190 0.311072 C\n0.149650 0.026923 0.539950 C\n0.076216 0.000584 0.086637 C\n0.828917 0.987989 0.348545 C\n0.664153 0.816553 0.928863 C\n0.515837 0.558031 0.170656 C\n0.084888 0.829431 0.948298 C\n0.023434 0.709665 0.888420 C\n0.022456 0.020190 0.575097 C\n0.656889 0.232982 0.803682 C\n0.525916 0.522379 0.911252 C\n0.333594 0.845022 0.949092 C\n0.230591 0.873260 0.715343 C\n0.860512 0.473171 0.995017 C\n0.862426 0.568509 0.429327 C\n0.573739 0.874834 0.000624 C\n0.172618 0.543938 0.808436 C\n0.588130 0.201481 0.397481 C\n0.173914 0.061300 0.404197 C\n0.142572 0.653908 0.302435 C\n0.962101 0.397580 0.646238 C\n0.252282 0.362726 0.007690 C\n0.373159 0.071602 0.672175 C\n0.822602 0.372199 0.934757 C\n0.741807 0.484255 0.425142 C\n0.240462 0.481837 0.086142 C\n0.817222 0.752518 0.234674 C\n0.425199 0.487567 0.247246 C\n0.915696 0.107737 0.527964 C\n0.190255 0.595154 0.038172 C\n0.000010 0.947831 0.685776 C\n0.026702 0.185238 0.259851 C\n0.326035 0.231347 0.842111 C\n0.623126 0.513371 0.364341 C\n0.578927 0.748709 0.827384 C\n0.304545 0.002514 0.351650 C\n0.341017 0.826732 0.803795 C\n0.874897 0.592431 0.047655 C\n0.295363 0.472900 0.217151 C\n0.351812 0.345081 0.917484 C\n0.947126 0.285599 0.257792 C\n0.954957 0.962380 0.284901 C\n0.212668 0.830939 0.024023 C\n0.489103 0.304308 0.369415 C\n0.162753 0.260715 0.998268 C\n0.808728 0.805813 0.933949 C\n0.910790 0.627848 0.536163 C\n0.201837 0.748397 0.238628 C\n0.539621 0.234169 0.731678 C\n0.812264 0.100367 0.429844 C\n0.614964 0.601125 0.256688 C\n0.508390 0.433268 0.348954 C\n0.091288 0.534434 0.308311 C\n0.493543 0.452080 0.652325 C\n0.384305 0.116367 0.316443 C\n0.581418 0.246145 0.093955 C\n0.934991 0.527077 0.306514 C\n0.092718 0.220876 0.784862 C\n0.544513 0.493541 0.047463 C\n0.408097 0.174299 0.752912 C\n0.008185 0.270472 0.702622 C\n0.723823 0.213880 0.414181 C\n0.571556 0.553983 0.694617 C\n0.193639 0.427869 0.297721 C\n0.139087 0.195428 0.351952 C\n0.579908 0.607599 0.812874 C\n0.361055 0.247646 0.335424 C\n0.192723 0.938248 0.117528 C\n0.011778 0.935485 0.974420 C\n0.886738 0.920189 0.891818 C\n0.560577 0.364485 0.070283 C\n0.730879 0.660572 0.225830 C\n",
"nsites": 100,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.7836335358794422,
"density_atomic": 0.08943102584390977,
"volume": 1118.1801735623271,
"volume_molar": 6.733838400233564,
"formula_full": "C100",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -821.37190889,
"energy_per_atom": -8.2137190889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -821.37190889,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.1176063,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.199000Z",
"spacegroup": 1
},
{
"id": "mp-557031",
"created_at": "2022-09-04T14:39:18.325993Z",
"structure_string": "S32\n1.0\n5.034567 10.732526 0.000000\n-5.034567 10.732526 0.000000\n0.000000 2.066152 9.436112\nS\n32\ndirect\n0.118012 0.465519 0.138538 S\n0.488889 0.084356 0.307196 S\n0.363732 0.742079 0.042514 S\n0.309290 0.938480 0.077952 S\n0.159861 0.032518 0.251310 S\n0.863994 0.046405 0.313513 S\n0.061520 0.690710 0.422048 S\n0.136006 0.953595 0.686487 S\n0.032518 0.159861 0.751310 S\n0.938480 0.309290 0.577952 S\n0.840139 0.967482 0.748690 S\n0.534481 0.881988 0.361462 S\n0.915644 0.511111 0.192804 S\n0.663091 0.792464 0.529450 S\n0.881988 0.534481 0.861462 S\n0.690710 0.061520 0.922048 S\n0.207536 0.336909 0.970550 S\n0.465519 0.118012 0.638538 S\n0.967482 0.840139 0.248690 S\n0.511111 0.915644 0.692804 S\n0.581941 0.509345 0.690486 S\n0.046405 0.863994 0.813513 S\n0.792464 0.663091 0.029450 S\n0.953595 0.136006 0.186487 S\n0.418059 0.490655 0.309514 S\n0.084356 0.488889 0.807196 S\n0.742079 0.363732 0.542514 S\n0.490655 0.418059 0.809514 S\n0.336909 0.207536 0.470550 S\n0.257921 0.636268 0.457486 S\n0.636268 0.257921 0.957486 S\n0.509345 0.581941 0.190486 S\n",
"nsites": 32,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.6708719307177318,
"density_atomic": 0.03138071405642426,
"volume": 1019.7346033127936,
"volume_molar": 19.19057912185127,
"formula_full": "S32",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -130.95916396,
"energy_per_atom": -4.09247387375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -130.95916396,
"band_gap": 2.0442,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009841,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:41.437000Z",
"spacegroup": 15
},
{
"id": "mp-1179613",
"created_at": "2022-09-04T14:39:09.870925Z",
"structure_string": "Sb14\n1.0\n6.609819 0.000000 0.000000\n2.634222 7.451368 0.000000\n1.359766 3.325983 9.803007\nSb\n14\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.500000 0.000000 0.500000 Sb\n0.000000 0.500000 0.000000 Sb\n0.334535 0.080101 0.771984 Sb\n0.665465 0.919899 0.228016 Sb\n0.976796 0.885690 0.741324 Sb\n0.023204 0.114310 0.258676 Sb\n0.326688 0.754161 0.220238 Sb\n0.673312 0.245839 0.779762 Sb\n0.116340 0.488481 0.696872 Sb\n0.883660 0.511519 0.303128 Sb\n0.661050 0.668317 0.767946 Sb\n0.338950 0.331683 0.232054 Sb\n",
"nsites": 14,
"nelements": 1,
"elements": [
"Sb"
],
"chemical_system": "Sb",
"density": 5.862689319284094,
"density_atomic": 0.028996337323487498,
"volume": 482.81960041414527,
"volume_molar": 20.76862568129241,
"formula_full": "Sb14",
"formula_reduced": "Sb",
"formula_anonymous": "A",
"energy": -53.13991099,
"energy_per_atom": -3.795707927857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.13991099,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009572,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.966000Z",
"spacegroup": 2
},
{
"id": "mp-975590",
"created_at": "2022-09-04T14:45:07.682193Z",
"structure_string": "Kr3\n1.0\n11.179084 -2.260239 0.000000\n11.179084 2.260239 0.000000\n10.722099 0.000000 3.888086\nKr\n3\ndirect\n0.000000 0.000000 0.000000 Kr\n0.777799 0.777799 0.777799 Kr\n0.222201 0.222201 0.222201 Kr\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Kr"
],
"chemical_system": "Kr",
"density": 2.1246018913575826,
"density_atomic": 0.01526844513370146,
"volume": 196.48366115408922,
"volume_molar": 39.44174215033565,
"formula_full": "Kr3",
"formula_reduced": "Kr",
"formula_anonymous": "A",
"energy": -0.16860712,
"energy_per_atom": -0.05620237333333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.16860712,
"band_gap": 7.0685,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 5.32e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.846000Z",
"spacegroup": 166
},
{
"id": "mp-10649",
"created_at": "2022-09-04T14:47:55.765775Z",
"structure_string": "Si2\n1.0\n1.319711 -2.285806 0.000000\n1.319711 2.285806 0.000000\n0.000000 0.000000 4.764104\nSi\n2\ndirect\n0.333333 0.666667 0.250000 Si\n0.666667 0.333333 0.750000 Si\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 3.245127904432418,
"density_atomic": 0.06958258543180416,
"volume": 28.742823906135836,
"volume_molar": 8.654666570132152,
"formula_full": "Si2",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -9.82473078,
"energy_per_atom": -4.91236539,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.82473078,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003725,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:19.532000Z",
"spacegroup": 194
},
{
"id": "mp-1056059",
"created_at": "2022-09-04T14:47:21.082969Z",
"structure_string": "O1\n1.0\n1.784516 0.000000 0.000000\n0.000000 1.784516 0.000000\n0.000000 0.000000 3.089828\nO\n1\ndirect\n0.000000 0.000000 0.000000 O\n",
"nsites": 1,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 2.700085999486939,
"density_atomic": 0.10163067339171998,
"volume": 9.839549091106107,
"volume_molar": 5.925514964157105,
"formula_full": "O1",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -3.39040623,
"energy_per_atom": -3.39040623,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.39040623,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002598,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:02.913000Z",
"spacegroup": 123
},
{
"id": "mp-19981",
"created_at": "2022-09-04T14:47:07.532389Z",
"structure_string": "Gd4\n1.0\n1.806374 -3.128731 0.000000\n1.806374 3.128731 0.000000\n0.000000 0.000000 11.644222\nGd\n4\ndirect\n0.000000 0.000000 0.000000 Gd\n0.000000 0.000000 0.500000 Gd\n0.333333 0.666667 0.250000 Gd\n0.666667 0.333333 0.750000 Gd\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Gd"
],
"chemical_system": "Gd",
"density": 7.935665832686046,
"density_atomic": 0.03039090409238351,
"volume": 131.61832855780258,
"volume_molar": 19.81560252927537,
"formula_full": "Gd4",
"formula_reduced": "Gd",
"formula_anonymous": "A",
"energy": -56.18320903,
"energy_per_atom": -14.0458022575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.18320903,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 29.7454656,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:57.674000Z",
"spacegroup": 194
},
{
"id": "mp-100",
"created_at": "2022-09-04T14:46:52.894682Z",
"structure_string": "Hf1\n1.0\n-1.770814 1.770814 1.770814\n1.770814 -1.770814 1.770814\n1.770814 1.770814 -1.770814\nHf\n1\ndirect\n0.000000 0.000000 0.000000 Hf\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Hf"
],
"chemical_system": "Hf",
"density": 13.343942293271844,
"density_atomic": 0.04502162519534463,
"volume": 22.21154824289646,
"volume_molar": 13.376107001625314,
"formula_full": "Hf1",
"formula_reduced": "Hf",
"formula_anonymous": "A",
"energy": -9.78103403,
"energy_per_atom": -9.78103403,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.78103403,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00108,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:44.771000Z",
"spacegroup": 229
},
{
"id": "mp-1096915",
"created_at": "2022-09-04T14:46:20.236845Z",
"structure_string": "Cs1\n1.0\n4.338132 3.019011 0.000000\n-4.338132 3.019011 0.000000\n0.000000 2.574936 4.413887\nCs\n1\ndirect\n0.000000 0.000000 0.500000 Cs\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Cs"
],
"chemical_system": "Cs",
"density": 1.9088562740358759,
"density_atomic": 0.008649307468195548,
"volume": 115.61619281972685,
"volume_molar": 69.62569872956963,
"formula_full": "Cs1",
"formula_reduced": "Cs",
"formula_anonymous": "A",
"energy": -0.85319385,
"energy_per_atom": -0.85319385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.85319385,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002538,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:23.928000Z",
"spacegroup": 12
}
]
}