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_reduced&page=149",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_reduced&page=147",
"results": [
{
"id": "mp-1193561",
"created_at": "2022-09-04T14:44:51.006491Z",
"structure_string": "Al3 Si2 O10\n1.0\n4.606211 0.000000 0.000000\n-0.856707 4.806955 0.000000\n-1.831846 -1.993450 7.023676\nAl Si O\n3 2 10\ndirect\n0.597477 0.795668 0.104801 Al\n0.402523 0.204332 0.895199 Al\n0.000000 0.000000 0.500000 Al\n0.062748 0.402540 0.215347 Si\n0.937252 0.597460 0.784653 Si\n0.768941 0.144076 0.060158 O\n0.339967 0.451121 0.112367 O\n0.960966 0.712707 0.263008 O\n0.163228 0.294875 0.406818 O\n0.384711 0.980810 0.651166 O\n0.231059 0.855924 0.939842 O\n0.660033 0.548879 0.887633 O\n0.039034 0.287293 0.736992 O\n0.836772 0.705125 0.593182 O\n0.615289 0.019190 0.348834 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Al",
"Si",
"O"
],
"chemical_system": "Al-O-Si",
"density": 3.1723964197276255,
"density_atomic": 0.096452370321038,
"volume": 155.51717339939992,
"volume_molar": 6.2436420587234265,
"formula_full": "Al3 Si2 O10",
"formula_reduced": "Al3(SiO5)2",
"formula_anonymous": "A2B3C10",
"energy": -113.75773664,
"energy_per_atom": -7.583849109333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -106.88773664,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9996453,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:40.568000Z",
"spacegroup": 2
},
{
"id": "mp-1228909",
"created_at": "2022-09-04T14:48:07.055800Z",
"structure_string": "Al3 Si1 Pd4\n1.0\n3.438893 -3.474753 0.000000\n3.438893 3.474753 0.000000\n-0.072094 0.000000 4.888220\nAl Si Pd\n3 1 4\ndirect\n0.342315 0.157367 0.650096 Al\n0.157367 0.650096 0.342315 Al\n0.650096 0.342315 0.157367 Al\n0.843705 0.843705 0.843705 Si\n0.143432 0.143432 0.143432 Pd\n0.655440 0.851448 0.356197 Pd\n0.851448 0.356197 0.655440 Pd\n0.356197 0.655440 0.851448 Pd\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Al",
"Si",
"Pd"
],
"chemical_system": "Al-Pd-Si",
"density": 7.600534887620268,
"density_atomic": 0.06848045639365131,
"volume": 116.82165133382001,
"volume_molar": 8.793955351848824,
"formula_full": "Al3 Si1 Pd4",
"formula_reduced": "Al3SiPd4",
"formula_anonymous": "AB3C4",
"energy": -43.95267445,
"energy_per_atom": -5.49408430625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.95267445,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003764,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.715000Z",
"spacegroup": 146
},
{
"id": "mp-1183200",
"created_at": "2022-09-04T14:45:10.634003Z",
"structure_string": "Al3 Sn1\n1.0\n-2.163379 2.163379 4.177835\n2.163379 -2.163379 4.177835\n2.163379 2.163379 -4.177835\nAl Sn\n3 1\ndirect\n0.750000 0.250000 0.500000 Al\n0.250000 0.750000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"Sn"
],
"chemical_system": "Al-Sn",
"density": 4.2388881578165725,
"density_atomic": 0.051142681693192575,
"volume": 78.21255881723594,
"volume_molar": 11.77517595992935,
"formula_full": "Al3 Sn1",
"formula_reduced": "Al3Sn",
"formula_anonymous": "AB3",
"energy": -14.5933895,
"energy_per_atom": -3.648347375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.5933895,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003171,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.707000Z",
"spacegroup": 139
},
{
"id": "mp-1183131",
"created_at": "2022-09-04T14:40:38.818666Z",
"structure_string": "Al3 Sn1\n1.0\n4.271209 0.000000 0.000000\n0.000000 4.271209 0.000000\n0.000000 0.000000 4.271209\nAl Sn\n3 1\ndirect\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"Sn"
],
"chemical_system": "Al-Sn",
"density": 4.254768973516464,
"density_atomic": 0.051334285593113864,
"volume": 77.92063245420078,
"volume_molar": 11.731225418685534,
"formula_full": "Al3 Sn1",
"formula_reduced": "Al3Sn",
"formula_anonymous": "AB3",
"energy": -14.61288388,
"energy_per_atom": -3.65322097,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.61288388,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013923,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.817000Z",
"spacegroup": 221
},
{
"id": "mp-867347",
"created_at": "2022-09-04T14:48:31.073994Z",
"structure_string": "Al3 Tc1\n1.0\n-1.916543 1.916543 4.038710\n1.916543 -1.916543 4.038710\n1.916543 1.916543 -4.038710\nAl Tc\n3 1\ndirect\n0.750000 0.250000 0.500000 Al\n0.250000 0.750000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"Tc"
],
"chemical_system": "Al-Tc",
"density": 5.007580467273919,
"density_atomic": 0.06740935862541107,
"volume": 59.33894167763427,
"volume_molar": 8.933686483303603,
"formula_full": "Al3 Tc1",
"formula_reduced": "Al3Tc",
"formula_anonymous": "AB3",
"energy": -22.87257327,
"energy_per_atom": -5.7181433175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.87257327,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007547,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:51.902000Z",
"spacegroup": 139
},
{
"id": "mp-1070275",
"created_at": "2022-09-04T14:42:09.043449Z",
"structure_string": "Al3 Tc2\n1.0\n2.178047 -3.772489 0.000000\n2.178047 3.772489 0.000000\n0.000000 0.000000 5.121001\nAl Tc\n3 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.666667 0.333333 0.391880 Al\n0.333333 0.666667 0.608120 Al\n0.666667 0.333333 0.896201 Tc\n0.333333 0.666667 0.103799 Tc\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Al",
"Tc"
],
"chemical_system": "Al-Tc",
"density": 5.464644799301861,
"density_atomic": 0.05941415416419581,
"volume": 84.15503124360058,
"volume_molar": 10.13586887622321,
"formula_full": "Al3 Tc2",
"formula_reduced": "Al3Tc2",
"formula_anonymous": "A2B3",
"energy": -32.7759245,
"energy_per_atom": -6.5551849,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.7759245,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002777,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:44.229000Z",
"spacegroup": 164
},
{
"id": "mp-1214871",
"created_at": "2022-09-04T14:45:12.006308Z",
"structure_string": "Al12 Te12 Br4\n1.0\n0.000000 -4.142058 0.000000\n-11.232883 0.000000 0.000000\n0.000000 0.000000 -20.229167\nAl Te Br\n12 12 4\ndirect\n0.750000 0.831234 0.507178 Al\n0.250000 0.168766 0.492822 Al\n0.250000 0.668766 0.007178 Al\n0.750000 0.331234 0.992822 Al\n0.750000 0.951442 0.399808 Al\n0.250000 0.048558 0.600192 Al\n0.250000 0.548558 0.899808 Al\n0.750000 0.451442 0.100192 Al\n0.750000 0.840258 0.867122 Al\n0.250000 0.159742 0.132878 Al\n0.250000 0.659742 0.367122 Al\n0.750000 0.340258 0.632878 Al\n0.750000 0.772054 0.310402 Te\n0.250000 0.227946 0.689598 Te\n0.250000 0.727946 0.810402 Te\n0.750000 0.272054 0.189598 Te\n0.750000 0.824952 0.998670 Te\n0.250000 0.175048 0.001330 Te\n0.250000 0.675048 0.498670 Te\n0.750000 0.324952 0.501330 Te\n0.750000 0.905797 0.633423 Te\n0.250000 0.094203 0.366577 Te\n0.250000 0.594203 0.133423 Te\n0.750000 0.405797 0.866577 Te\n0.750000 0.537030 0.666114 Br\n0.250000 0.462970 0.333886 Br\n0.250000 0.962970 0.166114 Br\n0.750000 0.037030 0.833886 Br\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Al",
"Te",
"Br"
],
"chemical_system": "Al-Br-Te",
"density": 3.8365597342697506,
"density_atomic": 0.029749017036554533,
"volume": 941.207568828059,
"volume_molar": 20.243158799499856,
"formula_full": "Al12 Te12 Br4",
"formula_reduced": "Al3Te3Br",
"formula_anonymous": "AB3C3",
"energy": -107.05760043,
"energy_per_atom": -3.823485729642857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -104.92160043,
"band_gap": 1.8972,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000323,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.444000Z",
"spacegroup": 62
},
{
"id": "mp-28693",
"created_at": "2022-09-04T14:41:55.595625Z",
"structure_string": "Al12 Te12 I4\n1.0\n4.153185 0.000000 0.000000\n0.000000 11.670252 0.000000\n0.000000 0.000000 21.307713\nAl Te I\n12 12 4\ndirect\n0.750000 0.323547 0.871656 Al\n0.250000 0.676453 0.128344 Al\n0.750000 0.823547 0.628344 Al\n0.250000 0.176453 0.371656 Al\n0.250000 0.163923 0.005346 Al\n0.750000 0.836077 0.994654 Al\n0.250000 0.663923 0.494654 Al\n0.750000 0.336077 0.505346 Al\n0.250000 0.044007 0.905018 Al\n0.750000 0.955993 0.094982 Al\n0.250000 0.544007 0.594982 Al\n0.750000 0.455993 0.405018 Al\n0.250000 0.213727 0.818588 Te\n0.750000 0.786273 0.181412 Te\n0.250000 0.713727 0.681412 Te\n0.750000 0.286273 0.318588 Te\n0.750000 0.906424 0.874546 Te\n0.250000 0.093576 0.125454 Te\n0.750000 0.406424 0.625454 Te\n0.250000 0.593576 0.374546 Te\n0.750000 0.313609 0.997039 Te\n0.250000 0.686391 0.002961 Te\n0.750000 0.813609 0.502961 Te\n0.250000 0.186391 0.497039 Te\n0.750000 0.529844 0.835513 I\n0.250000 0.470156 0.164487 I\n0.750000 0.029844 0.664487 I\n0.250000 0.970156 0.335513 I\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Al",
"Te",
"I"
],
"chemical_system": "Al-I-Te",
"density": 3.7987461729057768,
"density_atomic": 0.02711188302131946,
"volume": 1032.7574804738633,
"volume_molar": 22.212181851273414,
"formula_full": "Al12 Te12 I4",
"formula_reduced": "Al3Te3I",
"formula_anonymous": "AB3C3",
"energy": -103.62062604,
"energy_per_atom": -3.7007366442857146,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -102.10462604,
"band_gap": 1.9452000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001502,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:29.367000Z",
"spacegroup": 62
},
{
"id": "mp-983584",
"created_at": "2022-09-04T14:43:11.407762Z",
"structure_string": "Al3 Tl1\n1.0\n4.354232 0.000000 0.000000\n0.000000 4.354232 0.000000\n0.000000 0.000000 4.354232\nAl Tl\n3 1\ndirect\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"Tl"
],
"chemical_system": "Al-Tl",
"density": 5.739296558237878,
"density_atomic": 0.04845351588137344,
"volume": 82.55334885899755,
"volume_molar": 12.428697175956717,
"formula_full": "Al3 Tl1",
"formula_reduced": "Al3Tl",
"formula_anonymous": "AB3",
"energy": -12.46055617,
"energy_per_atom": -3.1151390425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.46055617,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.33e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.455000Z",
"spacegroup": 221
},
{
"id": "mp-1351504",
"created_at": "2022-09-04T14:42:40.355788Z",
"structure_string": "Al3 Tl4 Fe1 As8 O28\n1.0\n6.407877 0.000000 0.000000\n-1.458001 6.319325 0.000000\n-0.918351 -3.335293 16.040979\nAl Tl Fe As O\n3 4 1 8 28\ndirect\n0.260639 0.684481 0.885390 Al\n0.738921 0.316039 0.113261 Al\n0.239493 0.314542 0.615330 Al\n0.249484 0.998872 0.250118 Tl\n0.749705 0.998779 0.750315 Tl\n0.000717 0.000469 0.999680 Tl\n0.499765 0.999082 0.500152 Tl\n0.760806 0.686173 0.386175 Fe\n0.821198 0.244449 0.330016 As\n0.321456 0.241599 0.831859 As\n0.678562 0.759941 0.165000 As\n0.179453 0.758170 0.668539 As\n0.270744 0.471136 0.092771 As\n0.771107 0.469299 0.596567 As\n0.228423 0.525099 0.407641 As\n0.728331 0.528481 0.906846 As\n0.045285 0.324522 0.136326 O\n0.544986 0.319319 0.638671 O\n0.445047 0.676721 0.359794 O\n0.954228 0.675607 0.863689 O\n0.700025 0.251155 0.231319 O\n0.199792 0.250290 0.732949 O\n0.808517 0.753244 0.262591 O\n0.300808 0.749964 0.767491 O\n0.080549 0.710852 0.410952 O\n0.569611 0.707719 0.907156 O\n0.429598 0.292139 0.092575 O\n0.930085 0.292303 0.593189 O\n0.229252 0.645417 0.002965 O\n0.723432 0.647803 0.508991 O\n0.272366 0.351146 0.497057 O\n0.771053 0.354611 0.996415 O\n0.397641 0.635917 0.170061 O\n0.898974 0.633710 0.673488 O\n0.102106 0.367160 0.328285 O\n0.602990 0.364653 0.829229 O\n0.706460 0.369200 0.388319 O\n0.213430 0.378498 0.887977 O\n0.785477 0.621518 0.109277 O\n0.286300 0.620620 0.612255 O\n0.811535 0.996405 0.388419 O\n0.305100 0.988074 0.886993 O\n0.692444 0.013635 0.110700 O\n0.194105 0.011189 0.613206 O\n",
"nsites": 44,
"nelements": 5,
"elements": [
"Al",
"Tl",
"Fe",
"As",
"O"
],
"chemical_system": "Al-As-Fe-O-Tl",
"density": 5.117145453355163,
"density_atomic": 0.06773871407259771,
"volume": 649.5546985560402,
"volume_molar": 8.890249604599642,
"formula_full": "Al3 Tl4 Fe1 As8 O28",
"formula_reduced": "Al3Tl4Fe(As2O7)4",
"formula_anonymous": "AB3C4D8E28",
"energy": -258.618816,
"energy_per_atom": -5.877700363636364,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -237.126816,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.2046415,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.123000Z",
"spacegroup": 1
},
{
"id": "mp-1229069",
"created_at": "2022-09-04T14:39:25.463485Z",
"structure_string": "Al3 Tl4 Fe1 As8 O28\n1.0\n6.221780 0.001524 -1.533081\n-1.692588 6.213180 -0.768879\n4.518387 6.202640 14.504896\nAl Tl Fe As O\n3 4 1 8 28\ndirect\n0.739361 0.430129 0.885390 Al\n0.261079 0.570700 0.113262 Al\n0.760507 0.070128 0.615330 Al\n0.750516 0.751010 0.250118 Tl\n0.250295 0.250906 0.750315 Tl\n0.999283 0.999851 0.999680 Tl\n0.500235 0.500766 0.500152 Tl\n0.239194 0.927652 0.386175 Fe\n0.178802 0.425536 0.330016 As\n0.678544 0.926542 0.831859 As\n0.321438 0.075058 0.165000 As\n0.820547 0.573291 0.668539 As\n0.729256 0.436093 0.092771 As\n0.228893 0.934134 0.596567 As\n0.771577 0.067260 0.407641 As\n0.271669 0.564673 0.906846 As\n0.954715 0.539151 0.136326 O\n0.455014 0.042009 0.638671 O\n0.554953 0.963485 0.359794 O\n0.045772 0.460703 0.863689 O\n0.299975 0.517526 0.231319 O\n0.800208 0.016761 0.732949 O\n0.191483 0.984164 0.262591 O\n0.699192 0.482545 0.767491 O\n0.919451 0.878196 0.410952 O\n0.430389 0.385125 0.907156 O\n0.570403 0.615287 0.092575 O\n0.069915 0.114509 0.593189 O\n0.770748 0.351619 0.002965 O\n0.276568 0.843206 0.508991 O\n0.727634 0.151797 0.497057 O\n0.228947 0.648975 0.996415 O\n0.602359 0.194022 0.170061 O\n0.101026 0.692802 0.673488 O\n0.897894 0.304555 0.328285 O\n0.397010 0.806118 0.829229 O\n0.293540 0.242482 0.388319 O\n0.786570 0.733526 0.887977 O\n0.214523 0.269205 0.109277 O\n0.713700 0.767126 0.612255 O\n0.188465 0.615176 0.388419 O\n0.694900 0.124933 0.886993 O\n0.307556 0.875665 0.110700 O\n0.805895 0.375605 0.613206 O\n",
"nsites": 44,
"nelements": 5,
"elements": [
"Al",
"Tl",
"Fe",
"As",
"O"
],
"chemical_system": "Al-As-Fe-O-Tl",
"density": 5.117145302905022,
"density_atomic": 0.06773871208099921,
"volume": 649.5547176537189,
"volume_molar": 8.890249865983527,
"formula_full": "Al3 Tl4 Fe1 As8 O28",
"formula_reduced": "Al3Tl4Fe(As2O7)4",
"formula_anonymous": "AB3C4D8E28",
"energy": -290.01526339000003,
"energy_per_atom": -6.591255986136364,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -268.52326339,
"band_gap": 2.7875,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9996889,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.991000Z",
"spacegroup": 1
},
{
"id": "mp-2554",
"created_at": "2022-09-04T14:45:16.103016Z",
"structure_string": "Al3 V1\n1.0\n-1.883274 1.883274 4.155683\n1.883274 -1.883274 4.155683\n1.883274 1.883274 -4.155683\nAl V\n3 1\ndirect\n0.500000 0.500000 0.000000 Al\n0.750000 0.250000 0.500000 Al\n0.250000 0.750000 0.500000 Al\n0.000000 0.000000 0.000000 V\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"V"
],
"chemical_system": "Al-V",
"density": 3.714657278013145,
"density_atomic": 0.06784698715369787,
"volume": 58.9561919815033,
"volume_molar": 8.876062169654904,
"formula_full": "Al3 V1",
"formula_reduced": "Al3V",
"formula_anonymous": "AB3",
"energy": -21.47317067,
"energy_per_atom": -5.3682926675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.47317067,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.5e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:56.357000Z",
"spacegroup": 139
}
]
}