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=12174",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=12172",
"results": [
{
"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-570002",
"created_at": "2022-09-04T14:48:03.128865Z",
"structure_string": "C8\n1.0\n-2.438465 2.438465 2.438465\n2.438465 -2.438465 2.438465\n2.438465 2.438465 -2.438465\nC\n8\ndirect\n0.325233 0.000000 0.000000 C\n0.674767 0.674767 0.674767 C\n0.000000 0.325233 0.000000 C\n0.000000 0.000000 0.325233 C\n0.000000 0.674767 0.000000 C\n0.325233 0.325233 0.325233 C\n0.674767 0.000000 0.000000 C\n0.000000 0.000000 0.674767 C\n",
"nsites": 8,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 2.751045879921811,
"density_atomic": 0.13793688570884688,
"volume": 57.99753966380077,
"volume_molar": 4.365866844863641,
"formula_full": "C8",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -67.70499972,
"energy_per_atom": -8.463124965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.70499972,
"band_gap": 3.0059000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001004,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:24.443000Z",
"spacegroup": 229
},
{
"id": "mp-571261",
"created_at": "2022-09-04T14:47:55.396211Z",
"structure_string": "Pu2\n1.0\n0.000000 2.806491 3.538963\n1.792768 0.000000 3.538963\n1.792768 2.806491 0.000000\nPu\n2\ndirect\n0.250000 0.250000 0.250000 Pu\n0.000000 0.000000 0.000000 Pu\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Pu"
],
"chemical_system": "Pu",
"density": 22.754911785635407,
"density_atomic": 0.056161181066325866,
"volume": 35.611786683011836,
"volume_molar": 10.722959606009539,
"formula_full": "Pu2",
"formula_reduced": "Pu",
"formula_anonymous": "A",
"energy": -28.53567666,
"energy_per_atom": -14.26783833,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.53567666,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020977,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:17.555000Z",
"spacegroup": 70
},
{
"id": "mp-604321",
"created_at": "2022-09-04T14:48:24.360907Z",
"structure_string": "Rb4\n1.0\n2.538581 -4.396951 0.000000\n2.538581 4.396951 0.000000\n0.000000 0.000000 16.471521\nRb\n4\ndirect\n0.000000 0.000000 0.000000 Rb\n0.333333 0.666667 0.750000 Rb\n0.000000 0.000000 0.500000 Rb\n0.666667 0.333333 0.250000 Rb\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.5438505712149497,
"density_atomic": 0.01087811486369811,
"volume": 367.7107706730139,
"volume_molar": 55.36015049902424,
"formula_full": "Rb4",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -3.91319338,
"energy_per_atom": -0.978298345,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.91319338,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007881,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:57.601000Z",
"spacegroup": 194
},
{
"id": "mp-723897",
"created_at": "2022-09-04T14:48:30.712339Z",
"structure_string": "P4\n1.0\n9.200000 0.000000 0.000000\n0.000000 9.200000 0.000000\n0.000000 0.000000 7.400000\nP\n4\ndirect\n0.500000 0.500000 0.000000 P\n0.000000 0.000000 0.000000 P\n0.000000 0.500000 0.625000 P\n0.500000 0.000000 0.375000 P\n",
"nsites": 4,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 0.3284699703709865,
"density_atomic": 0.006386348541357994,
"volume": 626.3359999999999,
"volume_molar": 94.29708887638398,
"formula_full": "P4",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -7.57720448,
"energy_per_atom": -1.89430112,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.57720448,
"band_gap": 2.1942,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9999654,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:50.799000Z",
"spacegroup": 129
},
{
"id": "mp-1184554",
"created_at": "2022-09-04T14:48:29.905178Z",
"structure_string": "Hg2\n1.0\n1.789922 -3.100236 0.000000\n1.789922 3.100236 0.000000\n0.000000 0.000000 5.734710\nHg\n2\ndirect\n0.333333 0.666667 0.250000 Hg\n0.666667 0.333333 0.750000 Hg\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.466899494409137,
"density_atomic": 0.031423870630583564,
"volume": 63.645883204899725,
"volume_molar": 19.164223372721302,
"formula_full": "Hg2",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.60736073,
"energy_per_atom": -0.303680365,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.60736073,
"band_gap": 0.2396999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0058498,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:52.266000Z",
"spacegroup": 194
},
{
"id": "mp-723638",
"created_at": "2022-09-04T14:48:28.970487Z",
"structure_string": "C48\n1.0\n4.718441 0.000000 0.000000\n0.000000 10.108005 0.000000\n0.000000 4.348503 15.089665\nC\n48\ndirect\n0.920326 0.336823 0.624265 C\n0.420326 0.163177 0.875735 C\n0.079674 0.663177 0.375735 C\n0.579674 0.836823 0.124265 C\n0.970540 0.210178 0.609125 C\n0.470540 0.289822 0.890875 C\n0.029460 0.789822 0.390875 C\n0.529460 0.710178 0.109125 C\n0.862065 0.162886 0.551675 C\n0.362065 0.337114 0.948325 C\n0.137935 0.837114 0.448325 C\n0.637935 0.662886 0.051675 C\n0.665514 0.225251 0.487583 C\n0.165514 0.274749 0.012417 C\n0.334486 0.774749 0.512417 C\n0.834486 0.725251 0.987583 C\n0.527665 0.190273 0.418906 C\n0.027665 0.309727 0.081094 C\n0.472335 0.809727 0.581094 C\n0.972335 0.690273 0.918906 C\n0.351968 0.259475 0.366204 C\n0.851968 0.240525 0.133796 C\n0.648032 0.740525 0.633796 C\n0.148032 0.759475 0.866204 C\n0.247491 0.389064 0.362597 C\n0.747491 0.110936 0.137403 C\n0.752509 0.610936 0.637404 C\n0.252509 0.889064 0.862596 C\n0.052799 0.478833 0.310929 C\n0.552799 0.021167 0.189071 C\n0.947201 0.521167 0.689071 C\n0.447201 0.978833 0.810929 C\n0.980272 0.594323 0.316660 C\n0.480272 0.905677 0.183340 C\n0.019728 0.405677 0.683340 C\n0.519728 0.094323 0.816660 C\n0.705824 0.419674 0.561272 C\n0.205824 0.080326 0.938728 C\n0.294176 0.580326 0.438728 C\n0.794176 0.919674 0.061272 C\n0.581669 0.365049 0.493798 C\n0.081669 0.134951 0.006202 C\n0.418331 0.634951 0.506202 C\n0.918331 0.865049 0.993798 C\n0.376228 0.445499 0.432417 C\n0.876228 0.054501 0.067583 C\n0.623772 0.554501 0.567583 C\n0.123772 0.945499 0.932417 C\n",
"nsites": 48,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.3301942891337446,
"density_atomic": 0.0666956734418464,
"volume": 719.6868630744448,
"volume_molar": 9.029282484494068,
"formula_full": "C48",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -392.99043979,
"energy_per_atom": -8.187300828958334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -392.99043979,
"band_gap": 1.802,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002899,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:20.505000Z",
"spacegroup": 14
},
{
"id": "mp-158",
"created_at": "2022-09-04T14:48:30.749545Z",
"structure_string": "As4\n1.0\n1.853260 -5.720603 0.000000\n1.853260 5.720603 0.000000\n0.000000 0.000000 4.686427\nAs\n4\ndirect\n0.105928 0.894072 0.068630 As\n0.894072 0.105928 0.931370 As\n0.394072 0.605928 0.568630 As\n0.605928 0.394072 0.431370 As\n",
"nsites": 4,
"nelements": 1,
"elements": [
"As"
],
"chemical_system": "As",
"density": 5.008020735577857,
"density_atomic": 0.040254086684041596,
"volume": 99.36879282335742,
"volume_molar": 14.960321438338406,
"formula_full": "As4",
"formula_reduced": "As",
"formula_anonymous": "A",
"energy": -18.53912991,
"energy_per_atom": -4.6347824775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.53912991,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.29e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:54.983000Z",
"spacegroup": 64
},
{
"id": "mp-1190171",
"created_at": "2022-09-04T14:48:28.630528Z",
"structure_string": "C16\n1.0\n2.526018 0.000000 0.000000\n0.000000 4.159595 0.000000\n0.000000 0.000000 9.072088\nC\n16\ndirect\n0.750000 0.423520 0.695227 C\n0.750000 0.076480 0.195227 C\n0.250000 0.576480 0.304773 C\n0.250000 0.923520 0.804773 C\n0.250000 0.198409 0.689480 C\n0.250000 0.301591 0.189480 C\n0.750000 0.801591 0.310520 C\n0.750000 0.698409 0.810520 C\n0.250000 0.408205 0.020556 C\n0.250000 0.091795 0.520556 C\n0.750000 0.591795 0.979444 C\n0.750000 0.908205 0.479444 C\n0.250000 0.068374 0.963167 C\n0.250000 0.431626 0.463167 C\n0.750000 0.931626 0.036833 C\n0.750000 0.568374 0.536833 C\n",
"nsites": 16,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.3476701266416686,
"density_atomic": 0.16785150513833555,
"volume": 95.3223504717073,
"volume_molar": 3.5877788257167107,
"formula_full": "C16",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -142.97592617,
"energy_per_atom": -8.935995385625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -142.97592617,
"band_gap": 4.3505,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013137,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:46.210000Z",
"spacegroup": 62
},
{
"id": "mp-1217805",
"created_at": "2022-09-04T14:48:30.400982Z",
"structure_string": "Ta2\n1.0\n0.000000 0.000000 2.406720\n21.717152 0.000333 0.000000\n0.000333 21.717152 0.000000\nTa\n2\ndirect\n0.000000 0.818090 0.318090 Ta\n0.000000 0.181910 0.681910 Ta\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ta"
],
"chemical_system": "Ta",
"density": 0.5294211455763627,
"density_atomic": 0.0017619707183544225,
"volume": 1135.092643235231,
"volume_molar": 341.7843836601512,
"formula_full": "Ta2",
"formula_reduced": "Ta",
"formula_anonymous": "A",
"energy": -13.42462527,
"energy_per_atom": -6.712312635,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.42462527,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.4133939,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:57.531000Z",
"spacegroup": 65
},
{
"id": "mp-632286",
"created_at": "2022-09-04T14:48:23.896242Z",
"structure_string": "Sb2\n1.0\n4.343764 0.000000 0.000000\n0.000000 3.164641 0.000000\n0.000000 0.127652 4.405890\nSb\n2\ndirect\n0.750000 0.043352 0.763535 Sb\n0.250000 0.956648 0.236465 Sb\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Sb"
],
"chemical_system": "Sb",
"density": 6.676662298315999,
"density_atomic": 0.033022174918970935,
"volume": 60.56536266637659,
"volume_molar": 18.236656957868437,
"formula_full": "Sb2",
"formula_reduced": "Sb",
"formula_anonymous": "A",
"energy": -8.14023186,
"energy_per_atom": -4.07011593,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.14023186,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003521,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:55.648000Z",
"spacegroup": 11
},
{
"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
}
]
}