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=formula_anonymous&page=37",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=35",
"results": [
{
"id": "mp-731827",
"created_at": "2022-09-04T14:41:54.087290Z",
"structure_string": "H16\n1.0\n4.372639 0.000000 0.000000\n0.000000 6.039404 0.000000\n0.000000 0.000000 9.854266\nH\n16\ndirect\n0.256709 0.535311 0.750000 H\n0.243291 0.035311 0.750000 H\n0.743291 0.464689 0.250000 H\n0.756709 0.964689 0.250000 H\n0.400902 0.602675 0.750000 H\n0.099098 0.102675 0.750000 H\n0.599098 0.397325 0.250000 H\n0.900902 0.897325 0.250000 H\n0.038430 0.444921 0.995282 H\n0.461570 0.944921 0.504718 H\n0.961570 0.555079 0.495282 H\n0.538430 0.055079 0.004718 H\n0.961570 0.555079 0.004718 H\n0.538430 0.055079 0.495282 H\n0.038430 0.444921 0.504718 H\n0.461570 0.944921 0.995282 H\n",
"nsites": 16,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.1029062549219012,
"density_atomic": 0.06148341691353577,
"volume": 260.23277174885754,
"volume_molar": 9.794739886478572,
"formula_full": "H16",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -54.2248553,
"energy_per_atom": -3.38905345625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.2248553,
"band_gap": 8.1932,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.043000Z",
"spacegroup": 62
},
{
"id": "mp-1245266",
"created_at": "2022-09-04T14:48:29.230725Z",
"structure_string": "Zn100\n1.0\n11.852147 0.555593 -0.003177\n0.556447 11.729898 0.317598\n-0.016631 0.314876 11.711352\nZn\n100\ndirect\n0.812849 0.710133 0.569504 Zn\n0.313446 0.180893 0.118243 Zn\n0.995821 0.326194 0.403270 Zn\n0.279716 0.538235 0.192813 Zn\n0.118034 0.166417 0.635176 Zn\n0.407350 0.891187 0.613374 Zn\n0.612214 0.925130 0.164087 Zn\n0.241120 0.155527 0.857167 Zn\n0.327120 0.399654 0.029587 Zn\n0.541314 0.800022 0.349265 Zn\n0.701477 0.207596 0.623670 Zn\n0.659752 0.297470 0.227333 Zn\n0.356496 0.639264 0.990679 Zn\n0.127040 0.188797 0.275026 Zn\n0.631146 0.143999 0.862158 Zn\n0.584857 0.720222 0.577557 Zn\n0.038753 0.278499 0.807362 Zn\n0.470359 0.057009 0.005127 Zn\n0.193607 0.004641 0.161964 Zn\n0.712535 0.632433 0.396301 Zn\n0.821238 0.228709 0.818443 Zn\n0.571096 0.591399 0.019764 Zn\n0.439617 0.358296 0.215027 Zn\n0.103156 0.853169 0.858245 Zn\n0.100242 0.762385 0.459317 Zn\n0.848060 0.439544 0.757793 Zn\n0.886325 0.258357 0.200740 Zn\n0.365216 0.675099 0.588174 Zn\n0.047547 0.502558 0.834055 Zn\n0.088242 0.397080 0.602173 Zn\n0.526713 0.508794 0.638922 Zn\n0.695466 0.138004 0.080595 Zn\n0.979140 0.051628 0.762777 Zn\n0.208700 0.807207 0.671687 Zn\n0.857362 0.476959 0.288588 Zn\n0.056063 0.394418 0.166752 Zn\n0.664537 0.576868 0.802429 Zn\n0.567304 0.348497 0.018180 Zn\n0.788263 0.667289 0.180675 Zn\n0.781684 0.267203 0.412624 Zn\n0.922171 0.332774 0.987543 Zn\n0.306102 0.843622 0.415428 Zn\n0.484218 0.284802 0.636824 Zn\n0.825296 0.883311 0.108293 Zn\n0.202320 0.766930 0.237316 Zn\n0.976105 0.041164 0.153482 Zn\n0.931594 0.572353 0.018128 Zn\n0.193596 0.395142 0.356438 Zn\n0.430451 0.251290 0.871685 Zn\n0.261472 0.602631 0.405722 Zn\n0.095878 0.612438 0.634894 Zn\n0.877232 0.648359 0.788255 Zn\n0.461337 0.722867 0.793858 Zn\n0.466039 0.001971 0.413170 Zn\n0.625146 0.418005 0.457362 Zn\n0.486144 0.599687 0.411264 Zn\n0.341742 0.199519 0.343418 Zn\n0.250435 0.839078 0.028726 Zn\n0.087717 0.059273 0.962904 Zn\n0.968433 0.807545 0.273025 Zn\n0.048351 0.603911 0.217426 Zn\n0.888763 0.846828 0.881698 Zn\n0.280453 0.267604 0.550755 Zn\n0.035596 0.787275 0.061742 Zn\n0.302073 0.470705 0.624380 Zn\n0.405465 0.399881 0.430512 Zn\n0.395662 0.918401 0.201872 Zn\n0.515300 0.128264 0.216311 Zn\n0.797866 0.069967 0.278220 Zn\n0.750459 0.841986 0.328371 Zn\n0.738451 0.704861 0.966339 Zn\n0.633698 0.360058 0.786193 Zn\n0.510396 0.949210 0.807804 Zn\n0.440302 0.684200 0.191632 Zn\n0.904762 0.276338 0.610890 Zn\n0.684977 0.800178 0.747833 Zn\n0.251210 0.056357 0.484111 Zn\n0.755605 0.450463 0.070899 Zn\n0.827418 0.483495 0.531614 Zn\n0.365797 0.104807 0.691350 Zn\n0.450988 0.486707 0.854817 Zn\n0.085554 0.974400 0.351902 Zn\n0.014997 0.562329 0.436405 Zn\n0.294971 0.935830 0.831144 Zn\n0.902435 0.890859 0.470032 Zn\n0.864538 0.058566 0.957591 Zn\n0.781785 0.991898 0.697803 Zn\n0.242936 0.384961 0.821261 Zn\n0.611821 0.522402 0.235355 Zn\n0.970945 0.809541 0.675890 Zn\n0.561106 0.203807 0.424284 Zn\n0.480866 0.824319 0.000505 Zn\n0.565458 0.039785 0.615027 Zn\n0.940598 0.113630 0.461671 Zn\n0.679882 0.929357 0.941069 Zn\n0.715799 0.020638 0.470104 Zn\n0.250424 0.616142 0.798739 Zn\n0.141995 0.283319 0.006625 Zn\n0.076375 0.969492 0.577697 Zn\n0.150131 0.582422 0.004598 Zn\n",
"nsites": 100,
"nelements": 1,
"elements": [
"Zn"
],
"chemical_system": "Zn",
"density": 6.690725740676654,
"density_atomic": 0.06160083812752724,
"volume": 1623.3545360694295,
"volume_molar": 9.776069519594602,
"formula_full": "Zn100",
"formula_reduced": "Zn",
"formula_anonymous": "A",
"energy": -120.74276352,
"energy_per_atom": -1.2074276352,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -120.74276352,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:48.304000Z",
"spacegroup": 1
},
{
"id": "mp-632329",
"created_at": "2022-09-04T14:44:22.471252Z",
"structure_string": "C2\n1.0\n1.237044 2.131760 0.000000\n-1.237044 2.131760 0.000000\n0.000000 0.260309 3.729055\nC\n2\ndirect\n0.833817 0.833817 0.999905 C\n0.166183 0.166183 0.000095 C\n",
"nsites": 2,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 2.028127117662893,
"density_atomic": 0.10168988473577566,
"volume": 19.66763956116844,
"volume_molar": 5.922064692715049,
"formula_full": "C2",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -18.42910687,
"energy_per_atom": -9.214553435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.42910687,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.326000Z",
"spacegroup": 12
},
{
"id": "mp-11446",
"created_at": "2022-09-04T14:43:06.138768Z",
"structure_string": "Tb1\n1.0\n-2.010000 2.010000 2.010000\n2.010000 -2.010000 2.010000\n2.010000 2.010000 -2.010000\nTb\n1\ndirect\n0.000000 0.000000 0.000000 Tb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Tb"
],
"chemical_system": "Tb",
"density": 8.124452622043565,
"density_atomic": 0.030785898728431564,
"volume": 32.48240399999999,
"volume_molar": 19.561360911118697,
"formula_full": "Tb1",
"formula_reduced": "Tb",
"formula_anonymous": "A",
"energy": -4.48633589,
"energy_per_atom": -4.48633589,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.48633589,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.036963,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:58.587000Z",
"spacegroup": 229
},
{
"id": "mp-1239196",
"created_at": "2022-09-04T14:47:24.457839Z",
"structure_string": "Al4\n1.0\n-1.971178 1.971178 6.189698\n1.971178 -1.971178 6.189698\n1.971178 1.971178 -6.189698\nAl\n4\ndirect\n0.750000 0.250000 0.500000 Al\n0.250000 0.750000 0.500000 Al\n0.602999 0.602999 0.000000 Al\n0.397001 0.397001 0.000000 Al\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Al"
],
"chemical_system": "Al",
"density": 1.8629219591315038,
"density_atomic": 0.04157946080458826,
"volume": 96.20134370666497,
"volume_molar": 14.483450827566914,
"formula_full": "Al4",
"formula_reduced": "Al",
"formula_anonymous": "A",
"energy": -13.77380119,
"energy_per_atom": -3.4434502975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.77380119,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003332,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.804000Z",
"spacegroup": 139
},
{
"id": "mp-568348",
"created_at": "2022-09-04T14:43:05.516216Z",
"structure_string": "P84\n1.0\n9.260506 0.000000 0.000000\n0.000000 9.290484 0.000000\n0.000000 5.950707 23.366553\nP\n84\ndirect\n0.392435 0.044641 0.419902 P\n0.406288 0.251112 0.449492 P\n0.798587 0.297630 0.821487 P\n0.163196 0.998024 0.053026 P\n0.642474 0.482829 0.036716 P\n0.140312 0.791830 0.418910 P\n0.785103 0.075630 0.117705 P\n0.322549 0.788404 0.831157 P\n0.385897 0.855602 0.173614 P\n0.099939 0.140652 0.174799 P\n0.635538 0.687959 0.068136 P\n0.964657 0.827710 0.618809 P\n0.948287 0.045317 0.321522 P\n0.798587 0.702370 0.678513 P\n0.450749 0.562094 0.332123 P\n0.317364 0.052371 0.203643 P\n0.140312 0.208170 0.081090 P\n0.900061 0.859348 0.825201 P\n0.642474 0.517171 0.463284 P\n0.357526 0.482829 0.536716 P\n0.035343 0.172290 0.381191 P\n0.866829 0.539498 0.429935 P\n0.964657 0.172290 0.881191 P\n0.513296 0.313194 0.104244 P\n0.051713 0.045317 0.821522 P\n0.719600 0.422451 0.882584 P\n0.051713 0.954683 0.678478 P\n0.549251 0.562094 0.832123 P\n0.607565 0.955359 0.580098 P\n0.614103 0.855602 0.673614 P\n0.406288 0.748888 0.050508 P\n0.133171 0.539498 0.929935 P\n0.549251 0.437906 0.667877 P\n0.280400 0.422451 0.382584 P\n0.035343 0.827710 0.118809 P\n0.644763 0.584786 0.162581 P\n0.355237 0.415214 0.837419 P\n0.866829 0.460502 0.070065 P\n0.133171 0.460502 0.570065 P\n0.820704 0.590591 0.336043 P\n0.607565 0.044641 0.919902 P\n0.163196 0.001976 0.446974 P\n0.682636 0.947629 0.796357 P\n0.179296 0.590591 0.836043 P\n0.836804 0.998024 0.553026 P\n0.355237 0.584786 0.662581 P\n0.635538 0.312041 0.431864 P\n0.593712 0.251112 0.949492 P\n0.322549 0.211596 0.668843 P\n0.593712 0.748888 0.550508 P\n0.785103 0.924370 0.382295 P\n0.214897 0.924370 0.882295 P\n0.201413 0.297630 0.321487 P\n0.677451 0.211596 0.168843 P\n0.357526 0.517171 0.963284 P\n0.317364 0.947629 0.296357 P\n0.513296 0.686806 0.395756 P\n0.214897 0.075630 0.617705 P\n0.644763 0.415214 0.337419 P\n0.719600 0.577549 0.617416 P\n0.900061 0.140652 0.674799 P\n0.280400 0.577549 0.117416 P\n0.450749 0.437906 0.167877 P\n0.085117 0.755384 0.948705 P\n0.364462 0.687959 0.568136 P\n0.682636 0.052371 0.703643 P\n0.677451 0.788404 0.331157 P\n0.385897 0.144398 0.326386 P\n0.914883 0.755384 0.448705 P\n0.364462 0.312041 0.931864 P\n0.099939 0.859348 0.325201 P\n0.820704 0.409409 0.163957 P\n0.859688 0.208170 0.581090 P\n0.486704 0.313194 0.604244 P\n0.486704 0.686806 0.895756 P\n0.914883 0.244616 0.051295 P\n0.859688 0.791830 0.918910 P\n0.179296 0.409409 0.663957 P\n0.836804 0.001976 0.946974 P\n0.085117 0.244616 0.551295 P\n0.614103 0.144398 0.826386 P\n0.948287 0.954683 0.178478 P\n0.201413 0.702370 0.178513 P\n0.392435 0.955359 0.080098 P\n",
"nsites": 84,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 2.1490901450835844,
"density_atomic": 0.0417841506113939,
"volume": 2010.3316394110088,
"volume_molar": 14.412500127160309,
"formula_full": "P84",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -454.32817717,
"energy_per_atom": -5.408668775833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -454.32817717,
"band_gap": 1.8454,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017309,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:58.644000Z",
"spacegroup": 13
},
{
"id": "mp-21462",
"created_at": "2022-09-04T14:44:59.829577Z",
"structure_string": "Eu2\n1.0\n2.025328 -3.507971 0.000000\n2.025328 3.507971 0.000000\n0.000000 0.000000 6.513786\nEu\n2\ndirect\n0.333333 0.666667 0.250000 Eu\n0.666667 0.333333 0.750000 Eu\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Eu"
],
"chemical_system": "Eu",
"density": 5.452616661628094,
"density_atomic": 0.02160802891342242,
"volume": 92.55818788532096,
"volume_molar": 27.869921796796483,
"formula_full": "Eu2",
"formula_reduced": "Eu",
"formula_anonymous": "A",
"energy": -20.49290429,
"energy_per_atom": -10.246452145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.49290429,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.8417364,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:50.441000Z",
"spacegroup": 194
},
{
"id": "mp-1079020",
"created_at": "2022-09-04T14:47:15.836084Z",
"structure_string": "Ge8\n1.0\n3.007580 -4.433182 0.000000\n3.007580 4.433182 0.000000\n0.000000 0.000000 5.882045\nGe\n8\ndirect\n0.717993 0.282007 0.500000 Ge\n0.217993 0.782007 0.000000 Ge\n0.282007 0.717993 0.500000 Ge\n0.782007 0.217993 0.000000 Ge\n0.331168 0.331168 0.829096 Ge\n0.668832 0.668832 0.170904 Ge\n0.168832 0.168832 0.329096 Ge\n0.831168 0.831168 0.670904 Ge\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Ge"
],
"chemical_system": "Ge",
"density": 6.152106319155599,
"density_atomic": 0.05100337312395896,
"volume": 156.8523709315606,
"volume_molar": 11.807338203619878,
"formula_full": "Ge8",
"formula_reduced": "Ge",
"formula_anonymous": "A",
"energy": -34.47429677,
"energy_per_atom": -4.30928709625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.47429677,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0034514,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:04.026000Z",
"spacegroup": 64
},
{
"id": "mp-20",
"created_at": "2022-09-04T14:42:45.825951Z",
"structure_string": "Be1\n1.0\n-1.250113 1.250113 1.250113\n1.250113 -1.250113 1.250113\n1.250113 1.250113 -1.250113\nBe\n1\ndirect\n0.000000 0.000000 0.000000 Be\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Be"
],
"chemical_system": "Be",
"density": 1.915010878746536,
"density_atomic": 0.12796529267527337,
"volume": 7.814618941540772,
"volume_molar": 4.706073525172074,
"formula_full": "Be1",
"formula_reduced": "Be",
"formula_anonymous": "A",
"energy": -3.64374282,
"energy_per_atom": -3.64374282,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.64374282,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.49e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:55.963000Z",
"spacegroup": 229
},
{
"id": "mp-570384",
"created_at": "2022-09-04T14:45:23.535245Z",
"structure_string": "Ba4\n1.0\n-4.172434 4.172434 3.775774\n4.172434 -4.172434 3.775774\n4.172434 4.172434 -3.775774\nBa\n4\ndirect\n0.174989 0.674989 0.849978 Ba\n0.825011 0.325011 0.150022 Ba\n0.674989 0.825011 0.500000 Ba\n0.325011 0.174989 0.500000 Ba\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 3.4691261065084897,
"density_atomic": 0.015213006717400479,
"volume": 262.9329017139552,
"volume_molar": 39.58547361391708,
"formula_full": "Ba4",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"energy": -7.15351697,
"energy_per_atom": -1.7883792425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.15351697,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010564,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:06.455000Z",
"spacegroup": 140
},
{
"id": "mp-12957",
"created_at": "2022-09-04T14:42:13.769954Z",
"structure_string": "O8\n1.0\n3.110107 4.377428 0.000000\n-3.110107 4.377428 0.000000\n0.000000 1.908312 3.953345\nO\n8\ndirect\n0.726541 0.213911 0.155391 O\n0.786089 0.273459 0.844609 O\n0.273459 0.786089 0.844609 O\n0.213911 0.726541 0.155391 O\n0.792252 0.792252 0.178320 O\n0.207748 0.207748 0.821680 O\n0.851778 0.851778 0.867359 O\n0.148222 0.148222 0.132641 O\n",
"nsites": 8,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 1.9744844912403197,
"density_atomic": 0.07431918408687412,
"volume": 107.6438082346079,
"volume_molar": 8.103077064140699,
"formula_full": "O8",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -39.58368804,
"energy_per_atom": -4.947961005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.58368804,
"band_gap": 1.1346,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.6e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:40.503000Z",
"spacegroup": 12
},
{
"id": "mp-1067758",
"created_at": "2022-09-04T14:39:46.874350Z",
"structure_string": "Bi4\n1.0\n4.577571 0.000000 0.000000\n0.000000 4.613294 0.000000\n0.000000 1.512012 6.642218\nBi\n4\ndirect\n0.250000 0.855686 0.214821 Bi\n0.750000 0.144314 0.785179 Bi\n0.250000 0.677167 0.682104 Bi\n0.750000 0.322833 0.317896 Bi\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Bi"
],
"chemical_system": "Bi",
"density": 9.895899999797473,
"density_atomic": 0.02851679045798503,
"volume": 140.26823971980178,
"volume_molar": 21.117877093751737,
"formula_full": "Bi4",
"formula_reduced": "Bi",
"formula_anonymous": "A",
"energy": -15.21669958,
"energy_per_atom": -3.804174895,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.21669958,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001712,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:38.940000Z",
"spacegroup": 11
}
]
}