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=12135",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=12133",
"results": [
{
"id": "mp-1065697",
"created_at": "2022-09-04T14:45:58.744371Z",
"structure_string": "O1\n1.0\n2.352226 0.000000 0.000000\n0.000000 2.352226 0.000000\n0.000000 0.000000 1.544743\nO\n1\ndirect\n0.000000 0.000000 0.000000 O\n",
"nsites": 1,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 3.1084112044634713,
"density_atomic": 0.11699994887126487,
"volume": 8.547012282033565,
"volume_molar": 5.147131103985495,
"formula_full": "O1",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -3.36863,
"energy_per_atom": -3.36863,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.36863,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024843,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.712000Z",
"spacegroup": 123
},
{
"id": "mp-998861",
"created_at": "2022-09-04T14:45:58.407954Z",
"structure_string": "Br1\n1.0\n0.000000 2.362556 2.362556\n2.362556 0.000000 2.362556\n2.362556 2.362556 0.000000\nBr\n1\ndirect\n0.000000 0.000000 0.000000 Br\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Br"
],
"chemical_system": "Br",
"density": 5.030849068090698,
"density_atomic": 0.037916100872080034,
"volume": 26.374019928203158,
"volume_molar": 15.882806041468449,
"formula_full": "Br1",
"formula_reduced": "Br",
"formula_anonymous": "A",
"energy": -0.97066589,
"energy_per_atom": -0.97066589,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.97066589,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0652367,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.184000Z",
"spacegroup": 225
},
{
"id": "mp-583072",
"created_at": "2022-09-04T14:46:16.866636Z",
"structure_string": "S104\n1.0\n13.618254 0.000000 0.000000\n0.000000 14.019281 0.000000\n0.000000 6.152229 18.093378\nS\n104\ndirect\n0.197681 0.353700 0.267784 S\n0.558122 0.599495 0.726255 S\n0.336928 0.291267 0.881541 S\n0.325754 0.959580 0.760294 S\n0.700334 0.224862 0.379864 S\n0.559143 0.736604 0.736972 S\n0.350375 0.792986 0.105675 S\n0.659391 0.920230 0.869998 S\n0.391607 0.756650 0.013243 S\n0.786919 0.465301 0.471358 S\n0.954908 0.620429 0.909695 S\n0.204791 0.465112 0.751142 S\n0.369547 0.905961 0.558857 S\n0.174246 0.959580 0.260294 S\n0.994583 0.667684 0.993391 S\n0.045092 0.379571 0.090305 S\n0.401268 0.074473 0.782216 S\n0.961956 0.725072 0.348977 S\n0.299666 0.775138 0.620136 S\n0.869547 0.094039 0.941143 S\n0.058122 0.400505 0.773745 S\n0.059143 0.263396 0.763028 S\n0.820671 0.002552 0.260120 S\n0.454908 0.379571 0.590305 S\n0.320671 0.997448 0.239880 S\n0.891607 0.243350 0.486757 S\n0.538044 0.725072 0.848977 S\n0.679329 0.002552 0.760120 S\n0.840609 0.920230 0.369998 S\n0.940857 0.736604 0.236972 S\n0.302319 0.353700 0.767784 S\n0.407315 0.894723 0.456780 S\n0.545092 0.620429 0.409695 S\n0.196760 0.683445 0.869966 S\n0.104682 0.057100 0.393608 S\n0.224407 0.547261 0.419440 S\n0.901268 0.925527 0.717784 S\n0.917058 0.396068 0.457466 S\n0.330870 0.231911 0.117845 S\n0.825754 0.040420 0.739706 S\n0.149625 0.792986 0.605675 S\n0.071267 0.656822 0.826154 S\n0.200334 0.775138 0.120136 S\n0.674246 0.040420 0.239706 S\n0.697681 0.646300 0.232216 S\n0.713081 0.465301 0.971358 S\n0.608393 0.243350 0.986757 S\n0.461956 0.274928 0.151023 S\n0.038044 0.274928 0.651023 S\n0.928733 0.343178 0.173846 S\n0.696760 0.316555 0.630034 S\n0.163072 0.291267 0.381541 S\n0.169130 0.231911 0.617845 S\n0.159391 0.079770 0.630002 S\n0.098732 0.074473 0.282216 S\n0.850375 0.207014 0.394325 S\n0.505417 0.667684 0.493391 S\n0.960120 0.822298 0.968403 S\n0.795209 0.534888 0.248858 S\n0.604682 0.942900 0.106392 S\n0.571267 0.343178 0.673846 S\n0.283230 0.147527 0.910668 S\n0.775593 0.452739 0.580560 S\n0.663072 0.708733 0.118459 S\n0.592685 0.105277 0.543220 S\n0.441878 0.400505 0.273745 S\n0.830870 0.768089 0.382155 S\n0.216770 0.147527 0.410668 S\n0.941878 0.599495 0.226255 S\n0.724407 0.452739 0.080560 S\n0.716770 0.852473 0.089332 S\n0.005417 0.332316 0.006609 S\n0.460120 0.177702 0.531597 S\n0.286919 0.534699 0.028642 S\n0.039880 0.177702 0.031597 S\n0.440857 0.263396 0.263028 S\n0.213081 0.534699 0.528642 S\n0.417058 0.603932 0.042534 S\n0.428733 0.656822 0.326154 S\n0.803240 0.316555 0.130034 S\n0.092685 0.894723 0.956780 S\n0.649625 0.207014 0.894325 S\n0.108393 0.756650 0.513243 S\n0.303240 0.683445 0.369966 S\n0.630453 0.094039 0.441143 S\n0.802319 0.646300 0.732216 S\n0.340609 0.079770 0.130002 S\n0.539880 0.822298 0.468403 S\n0.295209 0.465112 0.251142 S\n0.275593 0.547261 0.919440 S\n0.130453 0.905961 0.058857 S\n0.907315 0.105277 0.043220 S\n0.179329 0.997448 0.739880 S\n0.836928 0.708733 0.618459 S\n0.783230 0.852473 0.589332 S\n0.895318 0.942900 0.606392 S\n0.669130 0.768089 0.882155 S\n0.704791 0.534888 0.748858 S\n0.395318 0.057100 0.893608 S\n0.582942 0.396068 0.957466 S\n0.598732 0.925527 0.217784 S\n0.799666 0.224862 0.879864 S\n0.082942 0.603932 0.542534 S\n0.494583 0.332316 0.506609 S\n",
"nsites": 104,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.6030492074431306,
"density_atomic": 0.030106932717184204,
"volume": 3454.353885098354,
"volume_molar": 20.002505125879953,
"formula_full": "S104",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -427.23962467,
"energy_per_atom": -4.108073314134615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -427.23962467,
"band_gap": 2.3108,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:28.848000Z",
"spacegroup": 14
},
{
"id": "mp-22046",
"created_at": "2022-09-04T14:45:19.124824Z",
"structure_string": "B50\n1.0\n8.866250 0.000000 0.000000\n0.000000 8.866250 0.000000\n0.000000 0.000000 4.925572\nB\n50\ndirect\n0.500000 0.500000 0.500000 B\n0.000000 0.000000 0.000000 B\n0.628527 0.628527 0.392525 B\n0.128527 0.871473 0.892525 B\n0.871473 0.128527 0.892525 B\n0.371473 0.371473 0.392525 B\n0.371473 0.628527 0.607475 B\n0.628527 0.371473 0.607475 B\n0.128527 0.128527 0.107475 B\n0.871473 0.871473 0.107475 B\n0.745630 0.745630 0.573989 B\n0.245630 0.754370 0.073989 B\n0.754370 0.245630 0.073989 B\n0.254370 0.254370 0.573989 B\n0.254370 0.745630 0.426011 B\n0.745630 0.254370 0.426011 B\n0.245630 0.245630 0.926011 B\n0.754370 0.754370 0.926011 B\n0.585770 0.829762 0.405751 B\n0.329762 0.914230 0.905751 B\n0.670238 0.085770 0.905751 B\n0.414230 0.170238 0.405751 B\n0.414230 0.829762 0.594249 B\n0.585770 0.170238 0.594249 B\n0.329762 0.085770 0.094249 B\n0.670238 0.914230 0.094249 B\n0.914230 0.670238 0.094249 B\n0.170238 0.585770 0.594249 B\n0.829762 0.414230 0.594249 B\n0.085770 0.329762 0.094249 B\n0.085770 0.670238 0.905751 B\n0.914230 0.329762 0.905751 B\n0.170238 0.414230 0.405751 B\n0.829762 0.585770 0.405751 B\n0.582957 0.728505 0.087703 B\n0.228505 0.917043 0.587703 B\n0.771495 0.082957 0.587703 B\n0.417043 0.271495 0.087703 B\n0.417043 0.728505 0.912297 B\n0.582957 0.271495 0.912297 B\n0.228505 0.082957 0.412297 B\n0.771495 0.917043 0.412297 B\n0.917043 0.771495 0.412297 B\n0.271495 0.582957 0.912297 B\n0.728505 0.417043 0.912297 B\n0.082957 0.228505 0.412297 B\n0.082957 0.771495 0.587703 B\n0.917043 0.228505 0.587703 B\n0.271495 0.417043 0.087703 B\n0.728505 0.582957 0.087703 B\n",
"nsites": 50,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 2.318186389316881,
"density_atomic": 0.12913185412271622,
"volume": 387.2011312753563,
"volume_molar": 4.663559429942868,
"formula_full": "B50",
"formula_reduced": "B",
"formula_anonymous": "A",
"energy": -329.05199891,
"energy_per_atom": -6.5810399782,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -329.05199891,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0060458,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:04.699000Z",
"spacegroup": 134
},
{
"id": "mp-105",
"created_at": "2022-09-04T14:45:22.109555Z",
"structure_string": "Te4\n1.0\n3.196941 0.000000 0.000000\n0.000000 4.428183 0.000000\n0.000000 0.000000 9.268765\nTe\n4\ndirect\n0.500000 0.525868 0.750000 Te\n0.500000 0.474132 0.250000 Te\n0.500000 0.000000 0.000000 Te\n0.500000 0.000000 0.500000 Te\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Te"
],
"chemical_system": "Te",
"density": 6.459184802981083,
"density_atomic": 0.030484420134676577,
"volume": 131.21456738650338,
"volume_molar": 19.754814864100716,
"formula_full": "Te4",
"formula_reduced": "Te",
"formula_anonymous": "A",
"energy": -12.38496355,
"energy_per_atom": -3.0962408875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.38496355,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0100078,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.670000Z",
"spacegroup": 51
},
{
"id": "mp-1178952",
"created_at": "2022-09-04T14:45:24.865588Z",
"structure_string": "Te4\n1.0\n3.130769 0.000000 0.000000\n0.000000 4.742908 0.000000\n0.000000 0.000000 8.985613\nTe\n4\ndirect\n0.500000 0.545271 0.760814 Te\n0.500000 0.454729 0.260814 Te\n0.500000 0.987468 0.009186 Te\n0.500000 0.012532 0.509186 Te\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Te"
],
"chemical_system": "Te",
"density": 6.352085390179579,
"density_atomic": 0.02997895952384046,
"volume": 133.42691219216735,
"volume_molar": 20.087891159834797,
"formula_full": "Te4",
"formula_reduced": "Te",
"formula_anonymous": "A",
"energy": -12.37668086,
"energy_per_atom": -3.094170215,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.37668086,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.527000Z",
"spacegroup": 26
},
{
"id": "mp-998883",
"created_at": "2022-09-04T14:46:38.095288Z",
"structure_string": "Ge1\n1.0\n-1.696005 1.696005 1.696005\n1.696005 -1.696005 1.696005\n1.696005 1.696005 -1.696005\nGe\n1\ndirect\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ge"
],
"chemical_system": "Ge",
"density": 6.181353159225227,
"density_atomic": 0.05124584089343222,
"volume": 19.5137787294688,
"volume_molar": 11.75147222683551,
"formula_full": "Ge1",
"formula_reduced": "Ge",
"formula_anonymous": "A",
"energy": -4.28353805,
"energy_per_atom": -4.28353805,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.28353805,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.72e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.813000Z",
"spacegroup": 229
},
{
"id": "mp-1184808",
"created_at": "2022-09-04T14:45:27.512005Z",
"structure_string": "K8\n1.0\n8.368584 0.000000 0.000000\n0.000000 8.368584 0.000000\n0.000000 0.000000 8.368584\nK\n8\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.250000 0.000000 K\n0.500000 0.750000 0.000000 K\n0.000000 0.500000 0.250000 K\n0.250000 0.000000 0.500000 K\n0.750000 0.000000 0.500000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.500000 0.750000 K\n",
"nsites": 8,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.8862189246155033,
"density_atomic": 0.013650043889516222,
"volume": 586.078701632917,
"volume_molar": 44.11810547089335,
"formula_full": "K8",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -8.61405937,
"energy_per_atom": -1.07675742125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.61405937,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0089307,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.820000Z",
"spacegroup": 223
},
{
"id": "mp-8642",
"created_at": "2022-09-04T14:45:19.151549Z",
"structure_string": "Re1\n1.0\n0.000000 1.962476 1.962476\n1.962476 0.000000 1.962476\n1.962476 1.962476 0.000000\nRe\n1\ndirect\n0.000000 0.000000 0.000000 Re\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Re"
],
"chemical_system": "Re",
"density": 20.455120497629814,
"density_atomic": 0.0661541268277012,
"volume": 15.116214935532374,
"volume_molar": 9.103197410019028,
"formula_full": "Re1",
"formula_reduced": "Re",
"formula_anonymous": "A",
"energy": -12.38177043,
"energy_per_atom": -12.38177043,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.38177043,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003437,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.959000Z",
"spacegroup": 225
},
{
"id": "mp-47",
"created_at": "2022-09-04T14:45:28.425709Z",
"structure_string": "C4\n1.0\n1.256547 -2.176403 0.000000\n1.256547 2.176403 0.000000\n0.000000 0.000000 4.181402\nC\n4\ndirect\n0.333333 0.666667 0.062772 C\n0.666667 0.333333 0.562772 C\n0.666667 0.333333 0.937228 C\n0.333333 0.666667 0.437228 C\n",
"nsites": 4,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.4882486627781524,
"density_atomic": 0.17490008459449727,
"volume": 22.87020048774664,
"volume_molar": 3.443189163665773,
"formula_full": "C4",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -36.26105525,
"energy_per_atom": -9.0652638125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.26105525,
"band_gap": 3.3394999999999992,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:59.546000Z",
"spacegroup": 194
},
{
"id": "mp-1018088",
"created_at": "2022-09-04T14:45:28.695608Z",
"structure_string": "C4\n1.0\n-2.061874 2.061874 2.061874\n2.061874 -2.061874 2.061874\n2.061874 2.061874 -2.061874\nC\n4\ndirect\n0.500000 0.000000 0.250000 C\n0.250000 0.500000 0.000000 C\n0.000000 0.250000 0.500000 C\n0.250000 0.250000 0.250000 C\n",
"nsites": 4,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 2.2752600958372424,
"density_atomic": 0.11408108243048332,
"volume": 35.06278091669974,
"volume_molar": 5.278825052935192,
"formula_full": "C4",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -31.69035403,
"energy_per_atom": -7.9225885075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.69035403,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0256562,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.493000Z",
"spacegroup": 214
},
{
"id": "mp-10173",
"created_at": "2022-09-04T14:48:14.019809Z",
"structure_string": "Li2\n1.0\n1.538769 -2.665227 0.000000\n1.538769 2.665227 0.000000\n0.000000 0.000000 4.922947\nLi\n2\ndirect\n0.333333 0.666667 0.250000 Li\n0.666667 0.333333 0.750000 Li\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Li"
],
"chemical_system": "Li",
"density": 0.5708714829216157,
"density_atomic": 0.049529872168447765,
"volume": 40.379672154172624,
"volume_molar": 12.158603477753998,
"formula_full": "Li2",
"formula_reduced": "Li",
"formula_anonymous": "A",
"energy": -3.81279734,
"energy_per_atom": -1.90639867,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.81279734,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022141,
"is_theoretical": false,
"updated_at": "2021-11-28T01:40:10.958000Z",
"spacegroup": 194
}
]
}