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=-id&page=20",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=18",
"results": [
{
"id": "mp-998880",
"created_at": "2022-09-04T14:45:16.735327Z",
"structure_string": "H36 C32 N4 O8\n1.0\n9.859621 0.000000 0.000000\n0.000000 7.124925 0.000000\n0.000000 5.796324 11.674890\nH C N O\n36 32 4 8\ndirect\n0.419923 0.378693 0.996727 H\n0.919923 0.621307 0.503273 H\n0.580077 0.621307 0.003273 H\n0.080077 0.378693 0.496727 H\n0.269118 0.248413 0.164506 H\n0.769118 0.751587 0.335494 H\n0.730882 0.751587 0.835494 H\n0.230882 0.248413 0.664506 H\n0.106881 0.786004 0.069370 H\n0.606881 0.213996 0.430630 H\n0.893119 0.213996 0.930630 H\n0.393119 0.786004 0.569370 H\n0.261992 0.911329 0.903400 H\n0.761992 0.088671 0.596600 H\n0.738008 0.088671 0.096600 H\n0.238008 0.911329 0.403400 H\n0.051884 0.804005 0.241395 H\n0.551884 0.195995 0.258605 H\n0.948116 0.195995 0.758605 H\n0.448116 0.804005 0.741395 H\n0.445487 0.110530 0.807941 H\n0.945487 0.889470 0.692059 H\n0.554513 0.889470 0.192059 H\n0.054513 0.110530 0.307941 H\n0.570282 0.565325 0.607156 H\n0.070282 0.434675 0.892844 H\n0.429718 0.434675 0.392844 H\n0.929718 0.565325 0.107156 H\n0.575591 0.285217 0.662536 H\n0.075591 0.714783 0.837464 H\n0.424409 0.714783 0.337464 H\n0.924409 0.285217 0.162536 H\n0.696714 0.421000 0.706026 H\n0.196714 0.579000 0.793974 H\n0.303286 0.579000 0.293974 H\n0.803286 0.421000 0.206026 H\n0.351317 0.155371 0.937193 C\n0.851317 0.844629 0.562807 C\n0.648683 0.844629 0.062807 C\n0.148683 0.155371 0.437193 C\n0.351922 0.249283 0.011730 C\n0.851922 0.750717 0.488270 C\n0.648078 0.750717 0.988270 C\n0.148078 0.249283 0.511730 C\n0.265458 0.176389 0.106209 C\n0.765458 0.823611 0.393791 C\n0.734542 0.823611 0.893791 C\n0.234542 0.176389 0.606209 C\n0.176272 0.009602 0.128134 C\n0.676272 0.990398 0.371866 C\n0.823728 0.990398 0.871866 C\n0.323728 0.009602 0.628134 C\n0.176215 0.914871 0.054088 C\n0.676215 0.085129 0.445912 C\n0.823785 0.085129 0.945912 C\n0.323785 0.914871 0.554088 C\n0.263080 0.986690 0.960191 C\n0.763080 0.013310 0.539809 C\n0.736920 0.013310 0.039809 C\n0.236920 0.986690 0.460191 C\n0.501342 0.402655 0.781149 C\n0.001342 0.597345 0.718851 C\n0.498658 0.597345 0.218851 C\n0.998658 0.402655 0.281149 C\n0.589673 0.417056 0.683341 C\n0.089673 0.582944 0.816659 C\n0.410327 0.582944 0.316659 C\n0.910327 0.417056 0.183341 C\n0.437800 0.216602 0.840971 N\n0.937800 0.783398 0.659029 N\n0.562200 0.783398 0.159029 N\n0.062200 0.216602 0.340971 N\n0.091667 0.946048 0.220854 O\n0.591667 0.053952 0.279146 O\n0.908333 0.053952 0.779146 O\n0.408333 0.946048 0.720854 O\n0.490263 0.553619 0.805597 O\n0.990263 0.446381 0.694403 O\n0.509737 0.446381 0.194403 O\n0.009737 0.553619 0.305597 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.224221525412422,
"density_atomic": 0.0975431264197071,
"volume": 820.15004989462,
"volume_molar": 6.173823805983031,
"formula_full": "H36 C32 N4 O8",
"formula_reduced": "H9C8NO2",
"formula_anonymous": "AB2C8D9",
"energy": -518.88373361,
"energy_per_atom": -6.486046670125001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -511.94373361,
"band_gap": 3.1804,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012627,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.743000Z",
"spacegroup": 14
},
{
"id": "mp-998866",
"created_at": "2022-09-04T14:41:03.656770Z",
"structure_string": "C1\n1.0\n1.776060 0.000000 0.000000\n0.000000 1.776060 0.000000\n0.000000 0.000000 1.776060\nC\n1\ndirect\n0.000000 0.000000 0.000000 C\n",
"nsites": 1,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.5599550713415904,
"density_atomic": 0.1784954294612604,
"volume": 5.602384346861016,
"volume_molar": 3.3738347128417705,
"formula_full": "C1",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -6.47199271,
"energy_per_atom": -6.47199271,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.47199271,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010241,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.269000Z",
"spacegroup": 221
},
{
"id": "mp-998864",
"created_at": "2022-09-04T14:44:20.031647Z",
"structure_string": "Br1\n1.0\n-1.280514 1.941999 3.896745\n1.280514 -1.941999 3.896745\n1.280514 1.941999 -3.896745\nBr\n1\ndirect\n0.000000 0.000000 0.000000 Br\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Br"
],
"chemical_system": "Br",
"density": 3.423121443241446,
"density_atomic": 0.025799107900603573,
"volume": 38.76103018184613,
"volume_molar": 23.342437975768583,
"formula_full": "Br1",
"formula_reduced": "Br",
"formula_anonymous": "A",
"energy": -1.55302833,
"energy_per_atom": -1.55302833,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.55302833,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000402,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.553000Z",
"spacegroup": 71
},
{
"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-998860",
"created_at": "2022-09-04T14:40:16.796831Z",
"structure_string": "Al1\n1.0\n-1.610250 1.610250 1.610250\n1.610250 -1.610250 1.610250\n1.610250 1.610250 -1.610250\nAl\n1\ndirect\n0.000000 0.000000 0.000000 Al\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Al"
],
"chemical_system": "Al",
"density": 2.6827233788539964,
"density_atomic": 0.05987700721108859,
"volume": 16.7009015075625,
"volume_molar": 10.057517969743758,
"formula_full": "Al1",
"formula_reduced": "Al",
"formula_anonymous": "A",
"energy": -3.65313185,
"energy_per_atom": -3.65313185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.65313185,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002383,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:50.505000Z",
"spacegroup": 229
},
{
"id": "mp-998845",
"created_at": "2022-09-04T14:45:17.393884Z",
"structure_string": "Tl2 Ni2 O6\n1.0\n4.663036 -2.678337 0.000000\n4.663036 2.678337 0.000000\n3.124663 0.000000 4.376514\nTl Ni O\n2 2 6\ndirect\n0.269520 0.269520 0.269520 Tl\n0.769520 0.769520 0.769520 Tl\n0.005986 0.005986 0.005986 Ni\n0.505986 0.505986 0.505986 Ni\n0.847424 0.243006 0.662563 O\n0.662563 0.847424 0.243006 O\n0.243006 0.662563 0.847424 O\n0.347424 0.162563 0.743006 O\n0.162563 0.743006 0.347424 O\n0.743006 0.347424 0.162563 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tl",
"Ni",
"O"
],
"chemical_system": "Ni-O-Tl",
"density": 9.450434062552635,
"density_atomic": 0.09147611103862467,
"volume": 109.31815844005023,
"volume_molar": 6.583293377499645,
"formula_full": "Tl2 Ni2 O6",
"formula_reduced": "TlNiO3",
"formula_anonymous": "ABC3",
"energy": -55.35411979,
"energy_per_atom": -5.535411979,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.150119790000005,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0017222,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:09.651000Z",
"spacegroup": 161
},
{
"id": "mp-998800",
"created_at": "2022-09-04T14:45:14.901624Z",
"structure_string": "Rb2 In2 Br6\n1.0\n6.997243 -4.046253 0.000000\n6.997243 4.046253 0.000000\n4.657441 0.000000 6.606196\nRb In Br\n2 2 6\ndirect\n0.730474 0.730474 0.730474 Rb\n0.230474 0.230474 0.230473 Rb\n0.995799 0.995799 0.995799 In\n0.495799 0.495799 0.495799 In\n0.750924 0.184545 0.309759 Br\n0.184545 0.309759 0.750924 Br\n0.309759 0.750924 0.184545 Br\n0.809759 0.684545 0.250924 Br\n0.250924 0.809759 0.684545 Br\n0.684545 0.250924 0.809759 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"In",
"Br"
],
"chemical_system": "Br-In-Rb",
"density": 3.9063230570269307,
"density_atomic": 0.026732437425345333,
"volume": 374.0773742733569,
"volume_molar": 22.52746603005358,
"formula_full": "Rb2 In2 Br6",
"formula_reduced": "RbInBr3",
"formula_anonymous": "ABC3",
"energy": -32.19485888,
"energy_per_atom": -3.219485888,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.99085888,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003359,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.340000Z",
"spacegroup": 161
},
{
"id": "mp-9988",
"created_at": "2022-09-04T14:42:14.804321Z",
"structure_string": "Nb4 C2 S2\n1.0\n1.671799 -2.895641 0.000000\n1.671799 2.895641 0.000000\n0.000000 0.000000 11.580941\nNb C S\n4 2 2\ndirect\n0.333333 0.666667 0.405344 Nb\n0.666667 0.333333 0.905344 Nb\n0.666667 0.333333 0.594656 Nb\n0.333333 0.666667 0.094656 Nb\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n0.666667 0.333333 0.250000 S\n0.333333 0.666667 0.750000 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Nb",
"C",
"S"
],
"chemical_system": "C-Nb-S",
"density": 6.80916159531999,
"density_atomic": 0.07134891346659826,
"volume": 112.12504313391082,
"volume_molar": 8.44040990591853,
"formula_full": "Nb4 C2 S2",
"formula_reduced": "Nb2CS",
"formula_anonymous": "ABC2",
"energy": -74.21469059,
"energy_per_atom": -9.27683632375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.20869059,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008149,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:42.762000Z",
"spacegroup": 194
},
{
"id": "mp-998787",
"created_at": "2022-09-04T14:44:22.239159Z",
"structure_string": "Ca2 Tl2 Cl6\n1.0\n2.063488 -6.937995 0.000000\n2.063488 6.937995 0.000000\n0.000000 0.000000 10.348365\nCa Tl Cl\n2 2 6\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.741202 0.258798 0.750000 Tl\n0.258798 0.741202 0.250000 Tl\n0.628704 0.371296 0.449759 Cl\n0.371296 0.628704 0.949759 Cl\n0.628704 0.371296 0.050241 Cl\n0.371296 0.628704 0.550241 Cl\n0.068898 0.931102 0.750000 Cl\n0.931102 0.068898 0.250000 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Tl",
"Cl"
],
"chemical_system": "Ca-Cl-Tl",
"density": 3.9321143989165837,
"density_atomic": 0.033749110873689,
"volume": 296.3041022747671,
"volume_molar": 17.843850116640837,
"formula_full": "Ca2 Tl2 Cl6",
"formula_reduced": "CaTlCl3",
"formula_anonymous": "ABC3",
"energy": -42.10446287,
"energy_per_atom": -4.210446287,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.42046287,
"band_gap": 3.9835,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024854,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.228000Z",
"spacegroup": 63
},
{
"id": "mp-998786",
"created_at": "2022-09-04T14:41:10.048527Z",
"structure_string": "Tl1 Pd1 F3\n1.0\n4.351263 0.000000 0.000000\n0.000000 4.351263 0.000000\n0.000000 0.000000 4.351263\nTl Pd F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Pd\n0.000000 0.500000 0.500000 F\n0.500000 0.500000 0.000000 F\n0.500000 0.000000 0.500000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tl",
"Pd",
"F"
],
"chemical_system": "F-Pd-Tl",
"density": 7.413325359960097,
"density_atomic": 0.06069095940782655,
"volume": 82.38459317147016,
"volume_molar": 9.922632330678562,
"formula_full": "Tl1 Pd1 F3",
"formula_reduced": "TlPdF3",
"formula_anonymous": "ABC3",
"energy": -21.75868101,
"energy_per_atom": -4.351736202,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.37268101,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006223,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.476000Z",
"spacegroup": 221
},
{
"id": "mp-998781",
"created_at": "2022-09-04T14:44:29.770986Z",
"structure_string": "Tl1 Ni1 O3\n1.0\n3.782724 0.000000 0.000000\n0.000000 3.913127 0.000000\n0.000000 0.549146 3.896223\nTl Ni O\n1 1 3\ndirect\n0.000000 0.976267 0.011168 Tl\n0.500000 0.500418 0.502012 Ni\n0.000000 0.437783 0.576344 O\n0.500000 0.018567 0.394793 O\n0.500000 0.606962 0.985682 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tl",
"Ni",
"O"
],
"chemical_system": "Ni-O-Tl",
"density": 8.956568751415498,
"density_atomic": 0.08669570859989234,
"volume": 57.6729815206356,
"volume_molar": 6.946296255322929,
"formula_full": "Tl1 Ni1 O3",
"formula_reduced": "TlNiO3",
"formula_anonymous": "ABC3",
"energy": -26.66578095,
"energy_per_atom": -5.3331561899999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.06378095,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9862885,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.680000Z",
"spacegroup": 6
},
{
"id": "mp-998778",
"created_at": "2022-09-04T14:41:56.775767Z",
"structure_string": "Rb4 Sn4 Br12\n1.0\n4.553187 0.000000 0.000000\n0.000000 9.817902 0.000000\n0.000000 0.000000 16.570006\nRb Sn Br\n4 4 12\ndirect\n0.750000 0.581044 0.172317 Rb\n0.250000 0.418956 0.827683 Rb\n0.750000 0.081044 0.327683 Rb\n0.250000 0.918956 0.672317 Rb\n0.250000 0.663696 0.437945 Sn\n0.750000 0.336304 0.562055 Sn\n0.250000 0.163696 0.062055 Sn\n0.750000 0.836304 0.937945 Sn\n0.750000 0.837950 0.501722 Br\n0.250000 0.162050 0.498278 Br\n0.750000 0.337950 0.998278 Br\n0.250000 0.662050 0.001722 Br\n0.250000 0.523265 0.616544 Br\n0.750000 0.476735 0.383456 Br\n0.250000 0.023265 0.883456 Br\n0.750000 0.976735 0.116544 Br\n0.250000 0.797237 0.288268 Br\n0.750000 0.202763 0.711732 Br\n0.250000 0.297237 0.211732 Br\n0.750000 0.702763 0.788268 Br\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Rb",
"Sn",
"Br"
],
"chemical_system": "Br-Rb-Sn",
"density": 3.9804063350835825,
"density_atomic": 0.027000583523379876,
"volume": 740.7247322148407,
"volume_molar": 22.30374300905539,
"formula_full": "Rb4 Sn4 Br12",
"formula_reduced": "RbSnBr3",
"formula_anonymous": "ABC3",
"energy": -70.07625917,
"energy_per_atom": -3.5038129585,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.66825917,
"band_gap": 2.0599,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002746,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.486000Z",
"spacegroup": 62
}
]
}