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=-density&page=10131",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=10129",
"results": [
{
"id": "mp-768199",
"created_at": "2022-09-04T14:47:23.600369Z",
"structure_string": "Li12 Sb4 S12\n1.0\n8.295702 0.000000 0.000000\n0.000000 8.295702 0.000000\n0.000000 0.000000 8.295702\nLi Sb S\n12 4 12\ndirect\n0.019086 0.019086 0.019086 Li\n0.209627 0.290373 0.709627 Li\n0.215025 0.715025 0.784975 Li\n0.284975 0.284975 0.284975 Li\n0.290373 0.709627 0.209627 Li\n0.480914 0.980914 0.519086 Li\n0.519086 0.480914 0.980914 Li\n0.709627 0.209627 0.290373 Li\n0.715025 0.784975 0.215025 Li\n0.784975 0.215025 0.715025 Li\n0.790373 0.790373 0.790373 Li\n0.980914 0.519086 0.480914 Li\n0.039192 0.960808 0.460808 Sb\n0.460808 0.039192 0.960808 Sb\n0.539192 0.539192 0.539192 Sb\n0.960808 0.460808 0.039192 Sb\n0.998492 0.245420 0.383319 S\n0.116681 0.001508 0.745420 S\n0.245420 0.383319 0.998492 S\n0.254580 0.616681 0.498492 S\n0.383319 0.998492 0.245420 S\n0.501508 0.754580 0.883319 S\n0.498492 0.254580 0.616681 S\n0.616681 0.498492 0.254580 S\n0.745420 0.116681 0.001508 S\n0.754580 0.883319 0.501508 S\n0.883319 0.501508 0.754580 S\n0.001508 0.745420 0.116681 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"Sb",
"S"
],
"chemical_system": "Li-S-Sb",
"density": 2.77807502717571,
"density_atomic": 0.04904543635884432,
"volume": 570.8991922334235,
"volume_molar": 12.278697483571339,
"formula_full": "Li12 Sb4 S12",
"formula_reduced": "Li3SbS3",
"formula_anonymous": "AB3C3",
"energy": -119.59887767,
"energy_per_atom": -4.271388488214286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -113.56287767,
"band_gap": 1.9811,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:07.471000Z",
"spacegroup": 198
},
{
"id": "mp-1194006",
"created_at": "2022-09-04T14:40:41.204023Z",
"structure_string": "Be8 Si4 O18\n1.0\n4.191264 -7.218184 0.000000\n4.191264 7.218184 0.000000\n0.000000 0.000000 4.667015\nBe Si O\n8 4 18\ndirect\n0.055728 0.608252 0.917410 Be\n0.391748 0.944272 0.917410 Be\n0.944272 0.391748 0.417410 Be\n0.608252 0.055728 0.417410 Be\n0.273741 0.388935 0.598645 Be\n0.611065 0.726259 0.598645 Be\n0.726259 0.611065 0.098645 Be\n0.388935 0.273741 0.098645 Be\n0.061324 0.938676 0.115719 Si\n0.938676 0.061324 0.615719 Si\n0.390095 0.609905 0.092591 Si\n0.609905 0.390095 0.592591 Si\n0.039523 0.960477 0.456389 O\n0.960477 0.039523 0.956389 O\n0.281943 0.718057 0.984062 O\n0.718057 0.281943 0.484062 O\n0.396794 0.603206 0.448276 O\n0.603206 0.396794 0.948276 O\n0.948533 0.719195 0.024695 O\n0.280805 0.051467 0.024695 O\n0.051467 0.280805 0.524695 O\n0.719195 0.948533 0.524695 O\n0.294205 0.397086 0.958756 O\n0.602914 0.705795 0.958756 O\n0.705795 0.602914 0.458756 O\n0.397086 0.294205 0.458756 O\n0.035816 0.588384 0.576975 O\n0.411616 0.964184 0.576975 O\n0.964184 0.411616 0.076975 O\n0.588384 0.035816 0.076975 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Be",
"Si",
"O"
],
"chemical_system": "Be-O-Si",
"density": 2.778069919781561,
"density_atomic": 0.10623780686047953,
"volume": 282.38534742531476,
"volume_molar": 5.668547702522496,
"formula_full": "Be8 Si4 O18",
"formula_reduced": "Be4Si2O9",
"formula_anonymous": "A2B4C9",
"energy": -222.73036982,
"energy_per_atom": -7.424345660666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -210.36436982,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0020637,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:03.155000Z",
"spacegroup": 36
},
{
"id": "mp-775201",
"created_at": "2022-09-04T14:41:20.169648Z",
"structure_string": "Cr3 Fe1 P6 O24\n1.0\n8.820115 -0.030117 -0.020983\n4.649581 7.495114 -0.020983\n4.649582 2.576829 7.038261\nCr Fe P O\n3 1 6 24\ndirect\n0.142888 0.142888 0.142888 Cr\n0.357258 0.357258 0.357258 Cr\n0.642707 0.642707 0.642707 Cr\n0.856938 0.856938 0.856938 Fe\n0.034280 0.750584 0.464182 P\n0.464182 0.034280 0.750584 P\n0.750584 0.464182 0.034280 P\n0.252152 0.532366 0.966743 P\n0.532366 0.966743 0.252152 P\n0.966743 0.252152 0.532366 P\n0.136091 0.287002 0.501927 O\n0.287002 0.501927 0.136091 O\n0.062963 0.922844 0.280590 O\n0.501927 0.136091 0.287002 O\n0.218607 0.578760 0.429866 O\n0.015077 0.772481 0.634528 O\n0.280590 0.062963 0.922844 O\n0.429866 0.218607 0.578760 O\n0.578760 0.429866 0.218607 O\n0.222762 0.361927 0.992113 O\n0.080995 0.714323 0.942359 O\n0.361927 0.992113 0.222762 O\n0.634528 0.015077 0.772481 O\n0.922844 0.280590 0.062963 O\n0.772481 0.634528 0.015077 O\n0.426172 0.559314 0.783895 O\n0.559314 0.783895 0.426172 O\n0.714323 0.942359 0.080995 O\n0.992113 0.222762 0.361927 O\n0.783895 0.426172 0.559314 O\n0.491075 0.862964 0.721267 O\n0.942359 0.080995 0.714323 O\n0.721267 0.491075 0.862964 O\n0.862964 0.721267 0.491075 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Cr",
"Fe",
"P",
"O"
],
"chemical_system": "Cr-Fe-O-P",
"density": 2.778037060433129,
"density_atomic": 0.07276945939674208,
"volume": 467.2289760273002,
"volume_molar": 8.275643119961963,
"formula_full": "Cr3 Fe1 P6 O24",
"formula_reduced": "Cr3Fe(PO4)6",
"formula_anonymous": "AB3C6D24",
"energy": -265.49502431,
"energy_per_atom": -7.808677185588236,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -240.75402431,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9998127,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.967000Z",
"spacegroup": 146
},
{
"id": "mp-771909",
"created_at": "2022-09-04T14:46:18.677509Z",
"structure_string": "Li4 Mn2 P4 H3 O16\n1.0\n5.002154 0.000000 0.000000\n-1.370887 7.553804 0.000000\n-0.336532 -0.246063 8.234777\nLi Mn P H O\n4 2 4 3 16\ndirect\n0.136343 0.688877 0.651103 Li\n0.378146 0.842683 0.127371 Li\n0.606161 0.161181 0.875468 Li\n0.862686 0.311344 0.345443 Li\n0.997337 0.496240 0.002333 Mn\n0.498527 0.002388 0.498026 Mn\n0.106572 0.254713 0.671473 P\n0.363542 0.235120 0.150652 P\n0.636019 0.757859 0.847401 P\n0.890044 0.745564 0.328526 P\n0.430408 0.439960 0.578047 H\n0.563624 0.553756 0.411478 H\n0.958050 0.979656 0.985884 H\n0.113613 0.827686 0.451888 O\n0.983573 0.305073 0.830397 O\n0.139828 0.356592 0.171229 O\n0.240718 0.445509 0.594896 O\n0.410194 0.670495 0.953256 O\n0.530106 0.797341 0.677600 O\n0.240527 0.055845 0.065825 O\n0.339458 0.152957 0.694300 O\n0.657288 0.847277 0.304957 O\n0.763907 0.946191 0.931510 O\n0.468428 0.207040 0.325719 O\n0.594796 0.333197 0.050942 O\n0.758537 0.556307 0.408940 O\n0.865196 0.644694 0.830266 O\n0.009449 0.693680 0.168720 O\n0.885800 0.172674 0.546453 O\n",
"nsites": 29,
"nelements": 5,
"elements": [
"Li",
"Mn",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P",
"density": 2.778026599529327,
"density_atomic": 0.09320160365503018,
"volume": 311.15344439070543,
"volume_molar": 6.461413241654002,
"formula_full": "Li4 Mn2 P4 H3 O16",
"formula_reduced": "Li4Mn2P4H3O16",
"formula_anonymous": "A2B3C4D4E16",
"energy": -206.7306934,
"energy_per_atom": -7.1286446,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -192.4026934,
"band_gap": 0.5505,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.999504,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.096000Z",
"spacegroup": 1
},
{
"id": "mp-32343",
"created_at": "2022-09-04T14:48:23.968407Z",
"structure_string": "Ni2 P8 O24\n1.0\n3.946038 6.258155 0.000000\n-3.946038 6.258155 0.000000\n0.000000 4.444815 9.066759\nNi P O\n2 8 24\ndirect\n0.500000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.754430 0.263240 0.484338 P\n0.736760 0.245570 0.015662 P\n0.687569 0.669496 0.812637 P\n0.263240 0.754430 0.984338 P\n0.245570 0.736760 0.515662 P\n0.330504 0.312431 0.687363 P\n0.669496 0.687569 0.312637 P\n0.312431 0.330504 0.187363 P\n0.678001 0.452483 0.348487 O\n0.206756 0.330488 0.344193 O\n0.793244 0.669512 0.655807 O\n0.815234 0.339998 0.575062 O\n0.339998 0.815234 0.075062 O\n0.452483 0.678001 0.848487 O\n0.309741 0.156877 0.143758 O\n0.208121 0.548803 0.080500 O\n0.548803 0.208121 0.580500 O\n0.085009 0.906724 0.916367 O\n0.321999 0.547517 0.651513 O\n0.330488 0.206756 0.844193 O\n0.843123 0.690259 0.356242 O\n0.093276 0.914991 0.583633 O\n0.906724 0.085009 0.416367 O\n0.660002 0.184766 0.924938 O\n0.669512 0.793244 0.155807 O\n0.184766 0.660002 0.424938 O\n0.914991 0.093276 0.083633 O\n0.451197 0.791879 0.419500 O\n0.791879 0.451197 0.919500 O\n0.690259 0.843123 0.856242 O\n0.547517 0.321999 0.151513 O\n0.156877 0.309741 0.643758 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Ni",
"P",
"O"
],
"chemical_system": "Ni-O-P",
"density": 2.7780207102400114,
"density_atomic": 0.07592578149286126,
"volume": 447.80572990475923,
"volume_molar": 7.931615113591181,
"formula_full": "Ni2 P8 O24",
"formula_reduced": "Ni(PO3)4",
"formula_anonymous": "AB4C12",
"energy": -247.92522388,
"energy_per_atom": -7.291918349411765,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -226.35522388,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0074466,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:12.532000Z",
"spacegroup": 15
},
{
"id": "mp-1246359",
"created_at": "2022-09-04T14:47:55.708700Z",
"structure_string": "Li12 Se2 N8\n1.0\n6.566406 0.000000 0.000000\n0.000000 6.566406 0.000000\n0.000000 0.000000 4.897347\nLi Se N\n12 2 8\ndirect\n0.000000 0.500000 0.607958 Li\n0.500000 0.000000 0.892042 Li\n0.500000 0.000000 0.392042 Li\n0.000000 0.500000 0.107958 Li\n0.212920 0.212920 0.500000 Li\n0.787080 0.787080 0.500000 Li\n0.712920 0.712920 0.000000 Li\n0.287080 0.287080 0.000000 Li\n0.787080 0.212920 0.500000 Li\n0.212920 0.787080 0.500000 Li\n0.287080 0.712920 0.000000 Li\n0.712920 0.287080 0.000000 Li\n0.500000 0.500000 0.500000 Se\n0.000000 0.000000 0.000000 Se\n0.264746 0.500000 0.311394 N\n0.735254 0.500000 0.311394 N\n0.764746 0.000000 0.188606 N\n0.235254 0.000000 0.188606 N\n0.500000 0.264746 0.688606 N\n0.500000 0.735254 0.688606 N\n0.000000 0.764746 0.811394 N\n0.000000 0.235254 0.811394 N\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Li",
"Se",
"N"
],
"chemical_system": "Li-N-Se",
"density": 2.7780119302892055,
"density_atomic": 0.10418527459926195,
"volume": 211.1622787828775,
"volume_molar": 5.78022257287659,
"formula_full": "Li12 Se2 N8",
"formula_reduced": "Li6SeN4",
"formula_anonymous": "AB4C6",
"energy": -107.32590698,
"energy_per_atom": -4.878450317272727,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -103.49390698,
"band_gap": 2.5079,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 6.65e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.565000Z",
"spacegroup": 137
},
{
"id": "mp-18460",
"created_at": "2022-09-04T14:47:03.649607Z",
"structure_string": "K4 Si12 Ge2 O30\n1.0\n3.648577 6.379822 0.000000\n-3.648577 6.379822 0.000000\n0.000000 4.350587 14.363833\nK Si Ge O\n4 12 2 30\ndirect\n0.787000 0.921311 0.211807 K\n0.921311 0.787000 0.711807 K\n0.209006 0.575993 0.401040 K\n0.575993 0.209006 0.901040 K\n0.564488 0.590913 0.169535 Si\n0.590913 0.564488 0.669535 Si\n0.692940 0.133137 0.477470 Si\n0.133137 0.692940 0.977470 Si\n0.119025 0.045835 0.493390 Si\n0.045835 0.119025 0.993390 Si\n0.195606 0.050875 0.187675 Si\n0.050875 0.195606 0.687675 Si\n0.292789 0.397491 0.171560 Si\n0.397491 0.292789 0.671560 Si\n0.597994 0.771070 0.459995 Si\n0.771070 0.597994 0.959995 Si\n0.894677 0.395417 0.326916 Ge\n0.395417 0.894677 0.826916 Ge\n0.334110 0.789596 0.207217 O\n0.789596 0.334110 0.707217 O\n0.364350 0.150467 0.159664 O\n0.150467 0.364350 0.659664 O\n0.939812 0.966552 0.499963 O\n0.966552 0.939812 0.999963 O\n0.345975 0.840142 0.460381 O\n0.840142 0.345975 0.960381 O\n0.064663 0.119521 0.100322 O\n0.119521 0.064663 0.600322 O\n0.222103 0.549938 0.074142 O\n0.549938 0.222103 0.574142 O\n0.621063 0.669287 0.058787 O\n0.669287 0.621063 0.558787 O\n0.601422 0.997251 0.450129 O\n0.997251 0.601422 0.950129 O\n0.750655 0.541242 0.222684 O\n0.541242 0.750655 0.722684 O\n0.477915 0.110246 0.759289 O\n0.110246 0.477915 0.259289 O\n0.661542 0.759755 0.872149 O\n0.759755 0.661542 0.372149 O\n0.332160 0.673371 0.897015 O\n0.673371 0.332160 0.397015 O\n0.269162 0.063318 0.925944 O\n0.063318 0.269162 0.425944 O\n0.128389 0.030181 0.780569 O\n0.030181 0.128389 0.280569 O\n0.388573 0.514271 0.684259 O\n0.514271 0.388573 0.184259 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"K",
"Si",
"Ge",
"O"
],
"chemical_system": "Ge-K-O-Si",
"density": 2.7779409912214508,
"density_atomic": 0.07178088632746805,
"volume": 668.7016900435244,
"volume_molar": 8.389616049774988,
"formula_full": "K4 Si12 Ge2 O30",
"formula_reduced": "K2Si6GeO15",
"formula_anonymous": "AB2C6D15",
"energy": -371.637085,
"energy_per_atom": -7.742439270833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -351.027085,
"band_gap": 4.7946,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002006,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:56.314000Z",
"spacegroup": 9
},
{
"id": "mp-19109",
"created_at": "2022-09-04T14:47:01.308332Z",
"structure_string": "Fe3 P3 O12\n1.0\n2.600097 -4.503499 0.000000\n2.600097 4.503499 0.000000\n0.000000 0.000000 11.548674\nFe P O\n3 3 12\ndirect\n0.533982 0.533982 0.000000 Fe\n0.000000 0.466018 0.666667 Fe\n0.466018 0.000000 0.333333 Fe\n0.533975 0.533975 0.500000 P\n0.000000 0.466025 0.166667 P\n0.466025 0.000000 0.833333 P\n0.250469 0.416603 0.119956 O\n0.583397 0.833867 0.453290 O\n0.166133 0.749531 0.786623 O\n0.833867 0.583397 0.546710 O\n0.749531 0.166133 0.213377 O\n0.416603 0.250469 0.880044 O\n0.419105 0.303298 0.400814 O\n0.696702 0.115807 0.734147 O\n0.884193 0.580895 0.067480 O\n0.115807 0.696702 0.265853 O\n0.580895 0.884193 0.932520 O\n0.303298 0.419105 0.599186 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"P",
"O"
],
"chemical_system": "Fe-O-P",
"density": 2.7779029827104664,
"density_atomic": 0.06655347959641449,
"volume": 270.4591872454064,
"volume_molar": 9.048573863483522,
"formula_full": "Fe3 P3 O12",
"formula_reduced": "FePO4",
"formula_anonymous": "ABC4",
"energy": -142.91825938,
"energy_per_atom": -7.939903298888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -127.90625938,
"band_gap": 2.6991,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.9985031,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:53.840000Z",
"spacegroup": 152
},
{
"id": "mp-23700",
"created_at": "2022-09-04T14:46:14.399115Z",
"structure_string": "Rb4 H8 O4 F4\n1.0\n4.221040 0.000000 0.000000\n0.000000 8.186826 0.000000\n0.000000 0.000000 8.474978\nRb H O F\n4 8 4 4\ndirect\n0.750000 0.259728 0.042210 Rb\n0.250000 0.740272 0.957790 Rb\n0.750000 0.759728 0.457790 Rb\n0.250000 0.240272 0.542210 Rb\n0.561099 0.968275 0.740345 H\n0.061099 0.031725 0.259655 H\n0.938901 0.468275 0.759655 H\n0.438901 0.531725 0.240345 H\n0.438901 0.031725 0.259655 H\n0.938901 0.968275 0.740345 H\n0.061099 0.531725 0.240345 H\n0.561099 0.468275 0.759655 H\n0.750000 0.504781 0.697619 O\n0.250000 0.495219 0.302381 O\n0.750000 0.004781 0.802381 O\n0.250000 0.995219 0.197619 O\n0.750000 0.098129 0.352760 F\n0.250000 0.901871 0.647240 F\n0.750000 0.598129 0.147240 F\n0.250000 0.401871 0.852760 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Rb",
"H",
"O",
"F"
],
"chemical_system": "F-H-O-Rb",
"density": 2.7778316272611727,
"density_atomic": 0.06828988609409513,
"volume": 292.8691369091236,
"volume_molar": 8.818495833632268,
"formula_full": "Rb4 H8 O4 F4",
"formula_reduced": "RbH2OF",
"formula_anonymous": "ABCD2",
"energy": -97.0592731,
"energy_per_atom": -4.852963655,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -92.4632731,
"band_gap": 5.3401,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:25.795000Z",
"spacegroup": 62
},
{
"id": "mp-1104025",
"created_at": "2022-09-04T14:42:06.619827Z",
"structure_string": "Np1 C4 O8\n1.0\n-4.285485 4.285485 3.361109\n4.285485 -4.285485 3.361109\n4.285485 4.285485 -3.361109\nNp C O\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Np\n0.179823 0.064020 0.689413 C\n0.374607 0.490410 0.310587 C\n0.935980 0.625393 0.115803 C\n0.509590 0.820177 0.884197 C\n0.063020 0.150511 0.699000 O\n0.451511 0.364019 0.301000 O\n0.849489 0.548489 0.912508 O\n0.635981 0.936980 0.087492 O\n0.576402 0.780270 0.735066 O\n0.045205 0.841337 0.264934 O\n0.219730 0.954795 0.796132 O\n0.158663 0.423598 0.203868 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Np",
"C",
"O"
],
"chemical_system": "C-Np-O",
"density": 2.7777717692759762,
"density_atomic": 0.05265029459606519,
"volume": 246.91219868257969,
"volume_molar": 11.438000121750628,
"formula_full": "Np1 C4 O8",
"formula_reduced": "Np(CO2)4",
"formula_anonymous": "AB4C8",
"energy": -106.24313257,
"energy_per_atom": -8.172548659230769,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.74713257,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9522304,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:34.396000Z",
"spacegroup": 82
},
{
"id": "mp-1176350",
"created_at": "2022-09-04T14:45:06.966888Z",
"structure_string": "Na10 Mn4 As2 C8 O32\n1.0\n0.000000 7.112710 7.195045\n7.052946 0.000000 7.195045\n7.052946 7.112710 0.000000\nNa Mn As C O\n10 4 2 8 32\ndirect\n0.789157 0.210843 0.210843 Na\n0.540633 0.540633 0.959367 Na\n0.536972 0.963028 0.963028 Na\n0.791998 0.791998 0.208002 Na\n0.211759 0.788241 0.211759 Na\n0.788241 0.211759 0.788241 Na\n0.959367 0.959367 0.540633 Na\n0.210843 0.789157 0.789157 Na\n0.208002 0.208002 0.791998 Na\n0.963028 0.536972 0.536972 Na\n0.369987 0.377396 0.875920 Mn\n0.377396 0.369987 0.376697 Mn\n0.376697 0.875920 0.377396 Mn\n0.875920 0.376697 0.369987 Mn\n0.000000 0.000000 0.000000 As\n0.750000 0.750000 0.750000 As\n0.587518 0.229680 0.591448 C\n0.591355 0.591448 0.229680 C\n0.229680 0.587518 0.591355 C\n0.591448 0.591355 0.587518 C\n0.160145 0.153337 0.163868 C\n0.522649 0.163868 0.153337 C\n0.153337 0.160145 0.522649 C\n0.163868 0.522649 0.160145 C\n0.518220 0.281116 0.014430 O\n0.572769 0.479423 0.219943 O\n0.727865 0.219943 0.479423 O\n0.281116 0.518220 0.186234 O\n0.722662 0.568160 0.243335 O\n0.209703 0.926848 0.933637 O\n0.929811 0.933637 0.926848 O\n0.566736 0.223139 0.734264 O\n0.475860 0.734264 0.223139 O\n0.223139 0.566736 0.475860 O\n0.734264 0.475860 0.566736 O\n0.926848 0.209703 0.929811 O\n0.933637 0.929811 0.209703 O\n0.272138 0.175071 0.023849 O\n0.528943 0.023849 0.175071 O\n0.568160 0.722662 0.465843 O\n0.186234 0.014430 0.281116 O\n0.219943 0.727865 0.572769 O\n0.479423 0.572769 0.727865 O\n0.833062 0.809487 0.540977 O\n0.816474 0.540977 0.809487 O\n0.018273 0.265676 0.189250 O\n0.526801 0.189250 0.265676 O\n0.189250 0.526801 0.018273 O\n0.265676 0.018273 0.526801 O\n0.809487 0.833062 0.816474 O\n0.540977 0.816474 0.833062 O\n0.014430 0.186234 0.518220 O\n0.465843 0.243335 0.568160 O\n0.175071 0.272138 0.528943 O\n0.023849 0.528943 0.272138 O\n0.243335 0.465843 0.722662 O\n",
"nsites": 56,
"nelements": 5,
"elements": [
"Na",
"Mn",
"As",
"C",
"O"
],
"chemical_system": "As-C-Mn-Na-O",
"density": 2.777719935554964,
"density_atomic": 0.07757447697402141,
"volume": 721.8869167336263,
"volume_molar": 7.763043973879102,
"formula_full": "Na10 Mn4 As2 C8 O32",
"formula_reduced": "Na5Mn2As(CO4)4",
"formula_anonymous": "AB2C4D5E16",
"energy": -398.88544747,
"energy_per_atom": -7.122954419107143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -370.22944747,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9997849,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.924000Z",
"spacegroup": 22
},
{
"id": "mp-757579",
"created_at": "2022-09-04T14:41:13.846938Z",
"structure_string": "Li12 Fe4 P8 O32\n1.0\n4.880386 0.000000 0.000000\n0.000000 9.084686 0.000000\n0.000000 3.487627 14.379710\nLi Fe P O\n12 4 8 32\ndirect\n0.746375 0.892020 0.923503 Li\n0.753625 0.892020 0.423503 Li\n0.347196 0.733713 0.509184 Li\n0.152804 0.733713 0.009184 Li\n0.864134 0.600233 0.654374 Li\n0.635866 0.600233 0.154374 Li\n0.364134 0.399767 0.845626 Li\n0.135866 0.399767 0.345626 Li\n0.652804 0.266287 0.490816 Li\n0.847196 0.266287 0.990816 Li\n0.246375 0.107980 0.576497 Li\n0.253625 0.107980 0.076497 Li\n0.208598 0.810674 0.792738 Fe\n0.291402 0.810674 0.292738 Fe\n0.708598 0.189326 0.707262 Fe\n0.791402 0.189326 0.207262 Fe\n0.750447 0.932490 0.627603 P\n0.749553 0.932490 0.127603 P\n0.773900 0.593853 0.856616 P\n0.726100 0.593853 0.356616 P\n0.273900 0.406147 0.643384 P\n0.226100 0.406147 0.143384 P\n0.250447 0.067510 0.872397 P\n0.249553 0.067510 0.372397 P\n0.526021 0.967237 0.696721 O\n0.973979 0.967237 0.196721 O\n0.354809 0.902249 0.915968 O\n0.145191 0.902249 0.415968 O\n0.637868 0.848719 0.557938 O\n0.862132 0.848719 0.057938 O\n0.997747 0.840398 0.676785 O\n0.502253 0.840398 0.176785 O\n0.503042 0.672569 0.813796 O\n0.930857 0.716657 0.897996 O\n0.996958 0.672569 0.313796 O\n0.569143 0.716657 0.397996 O\n0.187906 0.551004 0.573598 O\n0.312094 0.551004 0.073598 O\n0.974722 0.564231 0.784102 O\n0.474722 0.435769 0.715898 O\n0.525278 0.564231 0.284102 O\n0.025278 0.435769 0.215898 O\n0.687906 0.448996 0.926402 O\n0.812094 0.448996 0.426402 O\n0.430857 0.283343 0.602004 O\n0.003042 0.327431 0.686204 O\n0.069143 0.283343 0.102004 O\n0.496958 0.327431 0.186204 O\n0.497747 0.159602 0.823215 O\n0.002253 0.159602 0.323215 O\n0.137868 0.151281 0.942062 O\n0.362132 0.151281 0.442062 O\n0.854809 0.097751 0.584032 O\n0.645191 0.097751 0.084032 O\n0.026021 0.032763 0.803279 O\n0.473979 0.032763 0.303279 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 2.7776177687023327,
"density_atomic": 0.08783625395704783,
"volume": 637.5499577587194,
"volume_molar": 6.8560992627768975,
"formula_full": "Li12 Fe4 P8 O32",
"formula_reduced": "Li3Fe(PO4)2",
"formula_anonymous": "AB2C3D8",
"energy": -397.60395193,
"energy_per_atom": -7.100070570178572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -366.59595193,
"band_gap": 1.1544,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.9999157,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.052000Z",
"spacegroup": 14
}
]
}