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=12162",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=12160",
"results": [
{
"id": "mp-8633",
"created_at": "2022-09-04T14:41:22.753562Z",
"structure_string": "Cr1\n1.0\n0.000000 1.812208 1.812208\n1.812208 0.000000 1.812208\n1.812208 1.812208 0.000000\nCr\n1\ndirect\n0.000000 0.000000 0.000000 Cr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Cr"
],
"chemical_system": "Cr",
"density": 7.253802758851251,
"density_atomic": 0.0840128803394382,
"volume": 11.902936739696207,
"volume_molar": 7.168116050382605,
"formula_full": "Cr1",
"formula_reduced": "Cr",
"formula_anonymous": "A",
"energy": -9.25052113,
"energy_per_atom": -9.25052113,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.25052113,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0090369,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.017000Z",
"spacegroup": 225
},
{
"id": "mp-1095269",
"created_at": "2022-09-04T14:41:19.897884Z",
"structure_string": "Si12\n1.0\n1.926879 -5.376547 0.000000\n1.926879 5.376547 0.000000\n0.000000 0.000000 12.727496\nSi\n12\ndirect\n0.757273 0.242727 0.945296 Si\n0.242727 0.757273 0.054704 Si\n0.757273 0.242727 0.554704 Si\n0.242727 0.757273 0.445296 Si\n0.428763 0.571237 0.157027 Si\n0.571237 0.428763 0.842973 Si\n0.428763 0.571237 0.342973 Si\n0.571237 0.428763 0.657027 Si\n0.971341 0.028659 0.909463 Si\n0.028659 0.971341 0.090537 Si\n0.971341 0.028659 0.590537 Si\n0.028659 0.971341 0.409463 Si\n",
"nsites": 12,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 2.1221772196529938,
"density_atomic": 0.0455040855204012,
"volume": 263.71258454628094,
"volume_molar": 13.234285869342537,
"formula_full": "Si12",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -63.94916583,
"energy_per_atom": -5.3290971525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.94916583,
"band_gap": 0.5013000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008614,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:29.930000Z",
"spacegroup": 63
},
{
"id": "mp-1181265",
"created_at": "2022-09-04T14:41:19.239506Z",
"structure_string": "H16\n1.0\n6.061511 0.000000 0.000000\n0.000000 6.507494 0.000000\n0.000000 0.000000 9.083183\nH\n16\ndirect\n0.750000 0.114251 0.817708 H\n0.750000 0.385749 0.317708 H\n0.250000 0.885749 0.182292 H\n0.250000 0.614251 0.682292 H\n0.750000 0.204237 0.049089 H\n0.750000 0.295763 0.549089 H\n0.250000 0.795763 0.950911 H\n0.250000 0.704237 0.450911 H\n0.903664 0.205616 0.044758 H\n0.596336 0.294384 0.544758 H\n0.403664 0.794384 0.955242 H\n0.096336 0.705616 0.455242 H\n0.096336 0.794384 0.955242 H\n0.403664 0.705616 0.455242 H\n0.596336 0.205616 0.044758 H\n0.903664 0.294384 0.544758 H\n",
"nsites": 16,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.07474308556607644,
"density_atomic": 0.04465676352473224,
"volume": 358.28839210747384,
"volume_molar": 13.485394562158001,
"formula_full": "H16",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -35.19699029,
"energy_per_atom": -2.199811893125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.19699029,
"band_gap": 1.5177999999999998,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:15.321000Z",
"spacegroup": 62
},
{
"id": "mp-1061054",
"created_at": "2022-09-04T14:41:20.919552Z",
"structure_string": "Ge2\n1.0\n-1.436947 2.495898 2.650863\n1.436947 -2.495898 2.650863\n1.436947 2.495898 -2.650863\nGe\n2\ndirect\n0.250000 0.185943 0.935943 Ge\n0.750000 0.814057 0.064057 Ge\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ge"
],
"chemical_system": "Ge",
"density": 6.343662522757254,
"density_atomic": 0.0525914491453508,
"volume": 38.02899582539464,
"volume_molar": 11.450798291098943,
"formula_full": "Ge2",
"formula_reduced": "Ge",
"formula_anonymous": "A",
"energy": -8.77409769,
"energy_per_atom": -4.387048845,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.77409769,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.27e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:27.002000Z",
"spacegroup": 74
},
{
"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-1184115",
"created_at": "2022-09-04T14:41:57.752897Z",
"structure_string": "Er3\n1.0\n8.579066 -1.767589 0.000000\n8.579066 1.767589 0.000000\n8.214880 0.000000 3.039815\nEr\n3\ndirect\n0.000000 0.000000 0.000000 Er\n0.222030 0.222030 0.222030 Er\n0.777970 0.777970 0.777970 Er\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Er"
],
"chemical_system": "Er",
"density": 9.037772387254838,
"density_atomic": 0.03254039393497425,
"volume": 92.19310638939791,
"volume_molar": 18.506662125953653,
"formula_full": "Er3",
"formula_reduced": "Er",
"formula_anonymous": "A",
"energy": -13.70315643,
"energy_per_atom": -4.56771881,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.70315643,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0082183,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.907000Z",
"spacegroup": 166
},
{
"id": "mp-104",
"created_at": "2022-09-04T14:41:55.784372Z",
"structure_string": "Sb2\n1.0\n4.060155 -2.192977 0.000000\n4.060155 2.192977 0.000000\n2.875681 0.000000 3.608942\nSb\n2\ndirect\n0.731830 0.731830 0.731830 Sb\n0.268170 0.268170 0.268170 Sb\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Sb"
],
"chemical_system": "Sb",
"density": 6.292122136443163,
"density_atomic": 0.03112027365133651,
"volume": 64.26678706002018,
"volume_molar": 19.351181893419405,
"formula_full": "Sb2",
"formula_reduced": "Sb",
"formula_anonymous": "A",
"energy": -8.25800248,
"energy_per_atom": -4.12900124,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.25800248,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009531,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:33.169000Z",
"spacegroup": 166
},
{
"id": "mp-974620",
"created_at": "2022-09-04T14:41:56.812325Z",
"structure_string": "Rb8\n1.0\n9.004761 0.000000 0.000000\n0.000000 9.004761 0.000000\n0.000000 0.000000 9.004761\nRb\n8\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.250000 0.000000 Rb\n0.500000 0.750000 0.000000 Rb\n0.000000 0.500000 0.250000 Rb\n0.250000 0.000000 0.500000 Rb\n0.750000 0.000000 0.500000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.500000 0.750000 Rb\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.5549808254789264,
"density_atomic": 0.010956539671515114,
"volume": 730.1575351201852,
"volume_molar": 54.96389316835499,
"formula_full": "Rb8",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -7.55309927,
"energy_per_atom": -0.94413740875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.55309927,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.8378747,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.669000Z",
"spacegroup": 223
},
{
"id": "mp-542909",
"created_at": "2022-09-04T14:41:55.208597Z",
"structure_string": "Mn20\n1.0\n6.028121 0.000000 0.000000\n0.000000 6.028121 0.000000\n0.000000 0.000000 6.028121\nMn\n20\ndirect\n0.053358 0.053358 0.053358 Mn\n0.303358 0.196642 0.803358 Mn\n0.803358 0.303358 0.196642 Mn\n0.196642 0.803358 0.303358 Mn\n0.446642 0.946642 0.553358 Mn\n0.553358 0.446642 0.946642 Mn\n0.946642 0.553358 0.446642 Mn\n0.696642 0.696642 0.696642 Mn\n0.125000 0.197057 0.447057 Mn\n0.375000 0.802943 0.947057 Mn\n0.875000 0.697057 0.052943 Mn\n0.197057 0.447057 0.125000 Mn\n0.802943 0.947057 0.375000 Mn\n0.052943 0.875000 0.697057 Mn\n0.447057 0.125000 0.197057 Mn\n0.302943 0.552943 0.625000 Mn\n0.947057 0.375000 0.802943 Mn\n0.552943 0.625000 0.302943 Mn\n0.697057 0.052943 0.875000 Mn\n0.625000 0.302943 0.552943 Mn\n",
"nsites": 20,
"nelements": 1,
"elements": [
"Mn"
],
"chemical_system": "Mn",
"density": 8.32925983772251,
"density_atomic": 0.09130280334277263,
"volume": 219.0513244693616,
"volume_molar": 6.595789548094639,
"formula_full": "Mn20",
"formula_reduced": "Mn",
"formula_anonymous": "A",
"energy": -182.18136604,
"energy_per_atom": -9.109068302,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -182.18136604,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.6165077,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:33.277000Z",
"spacegroup": 213
},
{
"id": "mp-1245006",
"created_at": "2022-09-04T14:41:56.358334Z",
"structure_string": "Ti100\n1.0\n12.210158 0.237617 -0.352020\n0.228982 11.624229 0.067319\n-0.353209 0.081690 12.305132\nTi\n100\ndirect\n0.176446 0.109196 0.735901 Ti\n0.685781 0.730088 0.972509 Ti\n0.295462 0.643981 0.201886 Ti\n0.494890 0.467444 0.240308 Ti\n0.454192 0.174004 0.714589 Ti\n0.518019 0.697492 0.183980 Ti\n0.398817 0.433365 0.803229 Ti\n0.172436 0.528979 0.788969 Ti\n0.976687 0.702892 0.841245 Ti\n0.687589 0.832643 0.231795 Ti\n0.168511 0.235750 0.315950 Ti\n0.897953 0.774562 0.631825 Ti\n0.042823 0.805823 0.454933 Ti\n0.434954 0.345150 0.568799 Ti\n0.358634 0.775654 0.575102 Ti\n0.407629 0.271278 0.328051 Ti\n0.908418 0.997875 0.405614 Ti\n0.318937 0.214075 0.882107 Ti\n0.345735 0.679017 0.789108 Ti\n0.765131 0.198497 0.462103 Ti\n0.789790 0.112296 0.169245 Ti\n0.763529 0.620709 0.174150 Ti\n0.366506 0.943171 0.779425 Ti\n0.112975 0.808471 0.232877 Ti\n0.030863 0.072281 0.170685 Ti\n0.549845 0.163863 0.478974 Ti\n0.676718 0.026621 0.342830 Ti\n0.729510 0.924114 0.537746 Ti\n0.610882 0.511496 0.066948 Ti\n0.004804 0.592644 0.519362 Ti\n0.174129 0.653540 0.978086 Ti\n0.114200 0.945820 0.625448 Ti\n0.791704 0.520263 0.967620 Ti\n0.085989 0.298963 0.108754 Ti\n0.400540 0.577781 0.002914 Ti\n0.282622 0.431282 0.414051 Ti\n0.253806 0.557280 0.590058 Ti\n0.793455 0.754378 0.420817 Ti\n0.478128 0.568301 0.623634 Ti\n0.524096 0.142343 0.984960 Ti\n0.871460 0.406259 0.162322 Ti\n0.307129 0.826176 0.349713 Ti\n0.654529 0.961863 0.050887 Ti\n0.899014 0.731218 0.041469 Ti\n0.589168 0.318048 0.863523 Ti\n0.480526 0.810618 0.960946 Ti\n0.042789 0.159436 0.532883 Ti\n0.292154 0.818578 0.064077 Ti\n0.684769 0.173418 0.670648 Ti\n0.650842 0.595402 0.355963 Ti\n0.773221 0.619777 0.766647 Ti\n0.943611 0.149923 0.779185 Ti\n0.249266 0.323290 0.682919 Ti\n0.989614 0.927403 0.809679 Ti\n0.533300 0.139256 0.197681 Ti\n0.746042 0.125262 0.886027 Ti\n0.603737 0.403090 0.455173 Ti\n0.172882 0.634132 0.379458 Ti\n0.817050 0.348916 0.818323 Ti\n0.548280 0.978986 0.618674 Ti\n0.329989 0.012308 0.582524 Ti\n0.539528 0.785738 0.743692 Ti\n0.785946 0.537541 0.551494 Ti\n0.762581 0.882531 0.784941 Ti\n0.192169 0.859113 0.848908 Ti\n0.922713 0.230739 0.992947 Ti\n0.085339 0.376964 0.521409 Ti\n0.074685 0.873278 0.028135 Ti\n0.462694 0.918566 0.189770 Ti\n0.301598 0.204634 0.111660 Ti\n0.575200 0.569627 0.845061 Ti\n0.350774 0.010474 0.995318 Ti\n0.870379 0.312565 0.608157 Ti\n0.874664 0.038956 0.623557 Ti\n0.233819 0.410627 0.972025 Ti\n0.640646 0.405043 0.673574 Ti\n0.430199 0.611738 0.399823 Ti\n0.007050 0.480171 0.939207 Ti\n0.874650 0.971616 0.999189 Ti\n0.535309 0.832762 0.421996 Ti\n0.127622 0.728947 0.666008 Ti\n0.899157 0.888230 0.211554 Ti\n0.572961 0.997512 0.836452 Ti\n0.144222 0.006291 0.387713 Ti\n0.843525 0.434540 0.386852 Ti\n0.071710 0.305305 0.826412 Ti\n0.459004 0.344890 0.053311 Ti\n0.053884 0.579156 0.139126 Ti\n0.937281 0.651814 0.309423 Ti\n0.931998 0.227356 0.318476 Ti\n0.697115 0.289094 0.047131 Ti\n0.651137 0.703976 0.577906 Ti\n0.680627 0.308615 0.270711 Ti\n0.126102 0.093986 0.960364 Ti\n0.253979 0.420745 0.191554 Ti\n0.056456 0.438923 0.303460 Ti\n0.271271 0.203850 0.498007 Ti\n0.397319 0.036992 0.378256 Ti\n0.246852 0.012612 0.204361 Ti\n0.966372 0.497405 0.714350 Ti\n",
"nsites": 100,
"nelements": 1,
"elements": [
"Ti"
],
"chemical_system": "Ti",
"density": 4.5567956799169,
"density_atomic": 0.0573289844955872,
"volume": 1744.3183562356198,
"volume_molar": 10.504530671502726,
"formula_full": "Ti100",
"formula_reduced": "Ti",
"formula_anonymous": "A",
"energy": -775.41080328,
"energy_per_atom": -7.7541080328,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -775.41080328,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038698,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.661000Z",
"spacegroup": 1
},
{
"id": "mp-1077335",
"created_at": "2022-09-04T14:41:56.460359Z",
"structure_string": "U6\n1.0\n3.561406 4.160613 0.000000\n-3.561406 4.160613 0.000000\n0.000000 3.653785 4.226166\nU\n6\ndirect\n0.178769 0.821231 0.250000 U\n0.821231 0.178769 0.750000 U\n0.195622 0.360741 0.870062 U\n0.639259 0.804378 0.629938 U\n0.804378 0.639259 0.129938 U\n0.360741 0.195622 0.370062 U\n",
"nsites": 6,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 18.935409451040684,
"density_atomic": 0.04790666020434587,
"volume": 125.24354597893067,
"volume_molar": 12.570571052777542,
"formula_full": "U6",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -66.05981717,
"energy_per_atom": -11.009969528333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.05981717,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.79005,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:28.984000Z",
"spacegroup": 15
},
{
"id": "mp-10658",
"created_at": "2022-09-04T14:41:56.993965Z",
"structure_string": "Dy3\n1.0\n8.632593 -1.786174 0.000000\n8.632593 1.786174 0.000000\n8.263015 0.000000 3.071590\nDy\n3\ndirect\n0.000000 0.000000 0.000000 Dy\n0.222051 0.222051 0.222051 Dy\n0.777949 0.777949 0.777949 Dy\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Dy"
],
"chemical_system": "Dy",
"density": 8.546050360031446,
"density_atomic": 0.03167108814027288,
"volume": 94.72361627465547,
"volume_molar": 19.014631683406737,
"formula_full": "Dy3",
"formula_reduced": "Dy",
"formula_anonymous": "A",
"energy": -13.82036052,
"energy_per_atom": -4.60678684,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.82036052,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0091896,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:26.979000Z",
"spacegroup": 166
}
]
}