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=11544",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=11542",
"results": [
{
"id": "mp-780113",
"created_at": "2022-09-04T14:40:33.573383Z",
"structure_string": "Li4 Mn4 P8 H4 O28\n1.0\n6.452199 0.000000 0.000000\n-1.830737 8.536337 0.000000\n-3.049343 -0.924231 9.417746\nLi Mn P H O\n4 4 8 4 28\ndirect\n0.275267 0.520242 0.874511 Li\n0.724733 0.479758 0.125489 Li\n0.314178 0.006603 0.384104 Li\n0.685822 0.993397 0.615896 Li\n0.207293 0.922891 0.809159 Mn\n0.358548 0.468510 0.284721 Mn\n0.792707 0.077109 0.190841 Mn\n0.641452 0.531490 0.715279 Mn\n0.195206 0.747002 0.134478 P\n0.804794 0.252998 0.865522 P\n0.240411 0.211510 0.061774 P\n0.253663 0.723490 0.565371 P\n0.759589 0.788490 0.938226 P\n0.746337 0.276510 0.434629 P\n0.182991 0.243118 0.627420 P\n0.817009 0.756882 0.372580 P\n0.566229 0.206196 0.988321 H\n0.591228 0.719947 0.503536 H\n0.433771 0.793804 0.011679 H\n0.408772 0.280053 0.496464 H\n0.275422 0.726855 0.997991 O\n0.635010 0.616101 0.929494 O\n0.894323 0.416559 0.826765 O\n0.634180 0.136511 0.753172 O\n0.105677 0.583441 0.173235 O\n0.643441 0.631876 0.262305 O\n0.364990 0.383899 0.070506 O\n0.724578 0.273145 0.002009 O\n0.013728 0.174497 0.928816 O\n0.827334 0.814541 0.803467 O\n0.365594 0.096096 0.016602 O\n0.016177 0.668368 0.439477 O\n0.787559 0.296518 0.290943 O\n0.392998 0.607866 0.533637 O\n0.634406 0.903904 0.983398 O\n0.172666 0.185459 0.196533 O\n0.986272 0.825503 0.071184 O\n0.607002 0.392134 0.466363 O\n0.212441 0.703482 0.709057 O\n0.983823 0.331632 0.560523 O\n0.264596 0.205521 0.498641 O\n0.644295 0.107811 0.446709 O\n0.365820 0.863489 0.246828 O\n0.909603 0.909086 0.320406 O\n0.356559 0.368124 0.737695 O\n0.090397 0.090914 0.679594 O\n0.355705 0.892189 0.553291 O\n0.735404 0.794479 0.501359 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
"Li",
"Mn",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P",
"density": 3.0326346427345894,
"density_atomic": 0.09253690260655595,
"volume": 518.7119802797392,
"volume_molar": 6.507826164881113,
"formula_full": "Li4 Mn4 P8 H4 O28",
"formula_reduced": "LiMnP2HO7",
"formula_anonymous": "ABCD2E7",
"energy": -355.50721128000004,
"energy_per_atom": -7.406400235,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -329.59921128,
"band_gap": 4.0102,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0052427,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.195000Z",
"spacegroup": 2
},
{
"id": "mp-773190",
"created_at": "2022-09-04T14:40:43.782494Z",
"structure_string": "Na8 V4 B4 As4 O28\n1.0\n0.248277 -0.001004 5.596344\n18.737913 -0.002345 0.369681\n-0.000878 6.582729 -0.001254\nNa V B As O\n8 4 4 4 28\ndirect\n0.236301 0.101241 0.991211 Na\n0.236141 0.601386 0.991674 Na\n0.236027 0.101238 0.508795 Na\n0.236388 0.601124 0.509035 Na\n0.764084 0.398775 0.491240 Na\n0.763652 0.898864 0.491037 Na\n0.763765 0.398762 0.008791 Na\n0.763726 0.898624 0.008368 Na\n0.781854 0.665336 0.749908 V\n0.218077 0.834647 0.249968 V\n0.781960 0.165430 0.749840 V\n0.218097 0.334568 0.250105 V\n0.723573 0.039385 0.749999 B\n0.723272 0.539317 0.750054 B\n0.276490 0.460616 0.250010 B\n0.276548 0.960692 0.249964 B\n0.722141 0.221111 0.249875 As\n0.721695 0.721160 0.249646 As\n0.277891 0.278880 0.750071 As\n0.278325 0.778844 0.750283 As\n0.310940 0.028984 0.249984 O\n0.310829 0.528920 0.250025 O\n0.688918 0.471027 0.750048 O\n0.689210 0.971086 0.750012 O\n0.946235 0.073179 0.750004 O\n0.946113 0.573101 0.749833 O\n0.053831 0.426820 0.249983 O\n0.053824 0.926893 0.250253 O\n0.542722 0.098046 0.749923 O\n0.542648 0.598003 0.750314 O\n0.457348 0.401954 0.250073 O\n0.457329 0.902011 0.249638 O\n0.127645 0.202629 0.750006 O\n0.128018 0.702603 0.749961 O\n0.872387 0.297363 0.249946 O\n0.872075 0.797386 0.250020 O\n0.416158 0.238395 0.249871 O\n0.415697 0.738373 0.249088 O\n0.583866 0.261598 0.750103 O\n0.584350 0.761650 0.751100 O\n0.805960 0.167781 0.044830 O\n0.805968 0.667696 0.045024 O\n0.805858 0.167843 0.455089 O\n0.804823 0.667965 0.455283 O\n0.194160 0.332150 0.544874 O\n0.195172 0.832065 0.544744 O\n0.194077 0.332208 0.955134 O\n0.193832 0.832273 0.954964 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
"Na",
"V",
"B",
"As",
"O"
],
"chemical_system": "As-B-Na-O-V",
"density": 2.8376800004598244,
"density_atomic": 0.0695969087225597,
"volume": 689.6858047438088,
"volume_molar": 8.652885409043943,
"formula_full": "Na8 V4 B4 As4 O28",
"formula_reduced": "Na2VBAsO7",
"formula_anonymous": "ABCD2E7",
"energy": -338.34977622,
"energy_per_atom": -7.0489536712500005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -312.31377622,
"band_gap": 1.5444,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9379276,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.190000Z",
"spacegroup": 11
},
{
"id": "mp-1202774",
"created_at": "2022-09-04T14:40:59.132240Z",
"structure_string": "U4 Si4 H8 Pb4 O28\n1.0\n6.945129 0.000000 0.000000\n0.000000 6.869960 0.000000\n0.000000 3.063704 13.036156\nU Si H Pb O\n4 4 8 4 28\ndirect\n0.728428 0.968818 0.326322 U\n0.228428 0.031182 0.173678 U\n0.271572 0.031182 0.673678 U\n0.771572 0.968818 0.826322 U\n0.788929 0.096175 0.574064 Si\n0.288929 0.903825 0.925936 Si\n0.211071 0.903825 0.425936 Si\n0.711071 0.096175 0.074064 Si\n0.530054 0.354883 0.379405 H\n0.030054 0.645117 0.120595 H\n0.469946 0.645117 0.620595 H\n0.969946 0.354883 0.879405 H\n0.489815 0.553975 0.414851 H\n0.989815 0.446025 0.085149 H\n0.510185 0.446025 0.585149 H\n0.010185 0.553975 0.914851 H\n0.070384 0.427395 0.379864 Pb\n0.570384 0.572605 0.120136 Pb\n0.929616 0.572605 0.620136 Pb\n0.429616 0.427395 0.879864 Pb\n0.585779 0.090858 0.638752 O\n0.085779 0.909142 0.861248 O\n0.414221 0.909142 0.361248 O\n0.914221 0.090858 0.138752 O\n0.693173 0.244370 0.307330 O\n0.193173 0.755630 0.192670 O\n0.306827 0.755630 0.692670 O\n0.806827 0.244370 0.807330 O\n0.934538 0.982751 0.669389 O\n0.434538 0.017249 0.830611 O\n0.065462 0.017249 0.330611 O\n0.565462 0.982751 0.169389 O\n0.866935 0.322786 0.525680 O\n0.366935 0.677214 0.974320 O\n0.133065 0.677214 0.474320 O\n0.633065 0.322786 0.025680 O\n0.777276 0.954502 0.490727 O\n0.277276 0.045498 0.009273 O\n0.222724 0.045498 0.509273 O\n0.722724 0.954502 0.990727 O\n0.776323 0.699437 0.334732 O\n0.276323 0.300563 0.165268 O\n0.223677 0.300563 0.665268 O\n0.723677 0.699437 0.834732 O\n0.433227 0.423916 0.413274 O\n0.933227 0.576084 0.086726 O\n0.566773 0.576084 0.586726 O\n0.066773 0.423916 0.913274 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
"U",
"Si",
"H",
"Pb",
"O"
],
"chemical_system": "H-O-Pb-Si-U",
"density": 6.2719748474577415,
"density_atomic": 0.07717153934903073,
"volume": 621.9909620165284,
"volume_molar": 7.803577343148642,
"formula_full": "U4 Si4 H8 Pb4 O28",
"formula_reduced": "USiH2PbO7",
"formula_anonymous": "ABCD2E7",
"energy": -372.12122193,
"energy_per_atom": -7.7525254568749995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -352.88522193,
"band_gap": 1.8234000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022877,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:21.670000Z",
"spacegroup": 14
},
{
"id": "mp-1045731",
"created_at": "2022-09-04T14:41:05.710624Z",
"structure_string": "Ca8 Sb8 As16 Se8 O56\n1.0\n9.998431 -0.001856 4.686597\n4.997447 12.059306 2.342303\n-0.121683 -0.001080 13.259429\nCa Sb As Se O\n8 8 16 8 56\ndirect\n0.179137 0.413753 0.289605 Ca\n0.092862 0.289671 0.086213 Ca\n0.531203 0.789629 0.586214 Ca\n0.907138 0.710329 0.913787 Ca\n0.820863 0.586247 0.710395 Ca\n0.117382 0.913814 0.789651 Ca\n0.468797 0.210371 0.413786 Ca\n0.882618 0.086186 0.210349 Ca\n0.298775 0.612765 0.734011 Sb\n0.645585 0.887218 0.765976 Sb\n0.701225 0.387235 0.265989 Sb\n0.967225 0.234066 0.387205 Sb\n0.354415 0.112782 0.234024 Sb\n0.032775 0.765934 0.612795 Sb\n0.588575 0.265924 0.112662 Sb\n0.411425 0.734076 0.887338 Sb\n0.628791 0.431397 0.837210 As\n0.898439 0.582740 0.216058 As\n0.302779 0.082722 0.716089 As\n0.466201 0.662569 0.431325 As\n0.114565 0.283881 0.582636 As\n0.897583 0.068522 0.662616 As\n0.439771 0.162689 0.931362 As\n0.885435 0.716119 0.417364 As\n0.560229 0.837311 0.068638 As\n0.102417 0.931478 0.337384 As\n0.101561 0.417260 0.783942 As\n0.981126 0.216037 0.917282 As\n0.371209 0.568603 0.162790 As\n0.697221 0.917278 0.283911 As\n0.018874 0.783963 0.082718 As\n0.533799 0.337431 0.568675 As\n0.755221 0.485428 0.486554 Se\n0.727286 0.014734 0.013397 Se\n0.758087 0.986551 0.514564 Se\n0.740647 0.486602 0.014773 Se\n0.241913 0.013449 0.485436 Se\n0.244779 0.514572 0.513446 Se\n0.259353 0.513398 0.985227 Se\n0.272714 0.985266 0.986603 Se\n0.974683 0.848978 0.968831 O\n0.107816 0.112322 0.803579 O\n0.651296 0.900540 0.607396 O\n0.120059 0.983149 0.205848 O\n0.051913 0.607431 0.599351 O\n0.741363 0.107396 0.099555 O\n0.421747 0.514593 0.864768 O\n0.691069 0.483260 0.705812 O\n0.107700 0.740984 0.733395 O\n0.325631 0.294181 0.983207 O\n0.651346 0.266609 0.240982 O\n0.396903 0.794135 0.483026 O\n0.892184 0.887678 0.196421 O\n0.258637 0.892604 0.900445 O\n0.943537 0.531126 0.848979 O\n0.078859 0.964576 0.597397 O\n0.976262 0.612445 0.303641 O\n0.198755 0.014655 0.364893 O\n0.056463 0.468874 0.151021 O\n0.025317 0.151022 0.031169 O\n0.563714 0.135145 0.014552 O\n0.023738 0.387555 0.696359 O\n0.879941 0.016851 0.794152 O\n0.207540 0.349012 0.468779 O\n0.359105 0.464784 0.097475 O\n0.348654 0.733391 0.759018 O\n0.582011 0.758956 0.766663 O\n0.543403 0.597388 0.535396 O\n0.158959 0.233401 0.258928 O\n0.911405 0.696411 0.112332 O\n0.892300 0.259016 0.266605 O\n0.436286 0.864855 0.985448 O\n0.456597 0.402612 0.464604 O\n0.720168 0.803576 0.387621 O\n0.603097 0.205865 0.516974 O\n0.713378 0.364827 0.485461 O\n0.348704 0.099460 0.392604 O\n0.323858 0.097450 0.035309 O\n0.676142 0.902550 0.964691 O\n0.840826 0.400496 0.107425 O\n0.578253 0.485407 0.135232 O\n0.159174 0.599504 0.892575 O\n0.841041 0.766599 0.741072 O\n0.286622 0.635173 0.514539 O\n0.921141 0.035424 0.402603 O\n0.792460 0.650988 0.531221 O\n0.640895 0.535216 0.902525 O\n0.279832 0.196424 0.612379 O\n0.308931 0.516740 0.294188 O\n0.801245 0.985345 0.635107 O\n0.323733 0.968817 0.650958 O\n0.676267 0.031183 0.349042 O\n0.948087 0.392569 0.400649 O\n0.088595 0.303589 0.887668 O\n0.417989 0.241044 0.233337 O\n0.674369 0.705819 0.016793 O\n",
"nsites": 96,
"nelements": 5,
"elements": [
"Ca",
"Sb",
"As",
"Se",
"O"
],
"chemical_system": "As-Ca-O-Sb-Se",
"density": 4.158311152088879,
"density_atomic": 0.059785336353060256,
"volume": 1605.7449176680263,
"volume_molar": 10.07293949880361,
"formula_full": "Ca8 Sb8 As16 Se8 O56",
"formula_reduced": "CaSbAs2SeO7",
"formula_anonymous": "ABCD2E7",
"energy": -598.72819397,
"energy_per_atom": -6.236752020520833,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -560.25619397,
"band_gap": 0.4206999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9882018,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.490000Z",
"spacegroup": 88
},
{
"id": "mp-1203814",
"created_at": "2022-09-04T14:40:16.419861Z",
"structure_string": "La4 H8 S4 N4 O28\n1.0\n7.557837 0.000000 0.000000\n0.000000 7.557837 0.000000\n0.000000 0.000000 12.444310\nLa H S N O\n4 8 4 4 28\ndirect\n0.789572 0.363551 0.539342 La\n0.210428 0.636449 0.039342 La\n0.363551 0.210428 0.289342 La\n0.636449 0.789572 0.789342 La\n0.597247 0.075846 0.926858 H\n0.402753 0.924154 0.426858 H\n0.075846 0.402753 0.676858 H\n0.924154 0.597247 0.176858 H\n0.531916 0.572472 0.962740 H\n0.468084 0.427528 0.462740 H\n0.572472 0.468084 0.712740 H\n0.427528 0.531916 0.212740 H\n0.236540 0.583184 0.751703 S\n0.763460 0.416816 0.251703 S\n0.583184 0.763460 0.501703 S\n0.416816 0.236540 0.001703 S\n0.910701 0.083890 0.745209 N\n0.089299 0.916110 0.245209 N\n0.083890 0.089299 0.495209 N\n0.916110 0.910701 0.995209 N\n0.099966 0.529820 0.657993 O\n0.900034 0.470180 0.157993 O\n0.529820 0.900034 0.407993 O\n0.470180 0.099966 0.907993 O\n0.362523 0.437986 0.757038 O\n0.637477 0.562014 0.257038 O\n0.437986 0.637477 0.507038 O\n0.562014 0.362523 0.007038 O\n0.314878 0.753169 0.720963 O\n0.685122 0.246831 0.220963 O\n0.753169 0.685122 0.470963 O\n0.246831 0.314878 0.970963 O\n0.123938 0.600883 0.848011 O\n0.876062 0.399117 0.348011 O\n0.600883 0.876062 0.598011 O\n0.399117 0.123938 0.098011 O\n0.746706 0.103860 0.720493 O\n0.253294 0.896140 0.220493 O\n0.103860 0.253294 0.470493 O\n0.896140 0.746706 0.970493 O\n0.012322 0.197034 0.704443 O\n0.987678 0.802966 0.204443 O\n0.197034 0.987678 0.454443 O\n0.802966 0.012322 0.954443 O\n0.524933 0.311708 0.444517 O\n0.475067 0.688292 0.944517 O\n0.311708 0.475067 0.194517 O\n0.688292 0.524933 0.694517 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
"La",
"H",
"S",
"N",
"O"
],
"chemical_system": "H-La-N-O-S",
"density": 2.793818686358367,
"density_atomic": 0.06752667623417792,
"volume": 710.8301885545094,
"volume_molar": 8.918165524859576,
"formula_full": "La4 H8 S4 N4 O28",
"formula_reduced": "LaH2SNO7",
"formula_anonymous": "ABCD2E7",
"energy": -321.69594608,
"energy_per_atom": -6.701998876666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -302.45994608,
"band_gap": 2.7453000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001479,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.169000Z",
"spacegroup": 76
},
{
"id": "mp-768218",
"created_at": "2022-09-04T14:40:14.188880Z",
"structure_string": "Li4 Tm2 P2 C2 O14\n1.0\n6.746732 0.000000 0.000000\n0.000000 4.901685 0.000000\n0.000000 0.440509 8.957448\nLi Tm P C O\n4 2 2 2 14\ndirect\n0.986765 0.792630 0.793900 Li\n0.513235 0.792630 0.793900 Li\n0.486765 0.207370 0.206100 Li\n0.013235 0.207370 0.206100 Li\n0.250000 0.249384 0.641365 Tm\n0.750000 0.750616 0.358635 Tm\n0.750000 0.278917 0.588648 P\n0.250000 0.721083 0.411352 P\n0.250000 0.260606 0.942586 C\n0.750000 0.739394 0.057414 C\n0.750000 0.719670 0.916781 O\n0.250000 0.025654 0.878474 O\n0.250000 0.478302 0.849449 O\n0.935792 0.150193 0.663273 O\n0.564208 0.150193 0.663273 O\n0.250000 0.768322 0.584036 O\n0.750000 0.594809 0.598107 O\n0.250000 0.405191 0.401893 O\n0.750000 0.231678 0.415964 O\n0.435792 0.849807 0.336727 O\n0.064208 0.849807 0.336727 O\n0.750000 0.521698 0.150551 O\n0.750000 0.974346 0.121526 O\n0.250000 0.280330 0.083219 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Li",
"Tm",
"P",
"C",
"O"
],
"chemical_system": "C-Li-O-P-Tm",
"density": 3.787137290458437,
"density_atomic": 0.08101922573709015,
"volume": 296.2259856429723,
"volume_molar": 7.432977426298827,
"formula_full": "Li4 Tm2 P2 C2 O14",
"formula_reduced": "Li2TmPCO7",
"formula_anonymous": "ABCD2E7",
"energy": -182.17553564,
"energy_per_atom": -7.590647318333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -172.55753564,
"band_gap": 4.8642,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0006809,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.312000Z",
"spacegroup": 11
},
{
"id": "mp-754320",
"created_at": "2022-09-04T14:39:39.556364Z",
"structure_string": "Li4 Mn2 P2 C2 O14\n1.0\n5.024292 0.000000 0.000000\n-0.009345 6.460194 0.000000\n-0.548878 -0.123339 8.431195\nLi Mn P C O\n4 2 2 2 14\ndirect\n0.744056 0.960914 0.265148 Li\n0.744150 0.532815 0.263693 Li\n0.254230 0.468563 0.732496 Li\n0.775482 0.235499 0.891885 Li\n0.192908 0.248232 0.336255 Mn\n0.809412 0.753957 0.675618 Mn\n0.266556 0.745480 0.416551 P\n0.718161 0.255553 0.584259 P\n0.290522 0.259236 0.044101 C\n0.725636 0.742152 0.959487 C\n0.040727 0.249485 0.069473 O\n0.656230 0.743968 0.100735 O\n0.458432 0.245066 0.174593 O\n0.157584 0.939806 0.327076 O\n0.157904 0.557548 0.313750 O\n0.834912 0.248978 0.416374 O\n0.577252 0.746509 0.434773 O\n0.415411 0.287369 0.553666 O\n0.159459 0.735524 0.584057 O\n0.789834 0.064545 0.683187 O\n0.841110 0.434168 0.690164 O\n0.544101 0.736292 0.836940 O\n0.387588 0.282888 0.911420 O\n0.968004 0.749266 0.918076 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-O-P",
"density": 2.7160027504058224,
"density_atomic": 0.08770042057079043,
"volume": 273.65889289695673,
"volume_molar": 6.866718221880157,
"formula_full": "Li4 Mn2 P2 C2 O14",
"formula_reduced": "Li2MnPCO7",
"formula_anonymous": "ABCD2E7",
"energy": -180.4004888,
"energy_per_atom": -7.5166870333333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -167.4464888,
"band_gap": 0.4036999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0012407,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.595000Z",
"spacegroup": 1
},
{
"id": "mp-767279",
"created_at": "2022-09-04T14:39:39.581650Z",
"structure_string": "Li4 Dy2 P2 C2 O14\n1.0\n6.763411 0.000000 0.000000\n0.000000 4.922551 0.000000\n0.000000 0.536152 9.123824\nLi Dy P C O\n4 2 2 2 14\ndirect\n0.981578 0.800402 0.801008 Li\n0.518422 0.800402 0.801008 Li\n0.481578 0.199598 0.198992 Li\n0.018422 0.199598 0.198992 Li\n0.250000 0.261557 0.634207 Dy\n0.750000 0.738443 0.365793 Dy\n0.750000 0.271648 0.594786 P\n0.250000 0.728352 0.405214 P\n0.250000 0.257625 0.935175 C\n0.750000 0.742375 0.064825 C\n0.750000 0.729643 0.926383 O\n0.250000 0.026677 0.870684 O\n0.250000 0.478786 0.846031 O\n0.935513 0.137369 0.665382 O\n0.564487 0.137369 0.665382 O\n0.250000 0.761479 0.575655 O\n0.750000 0.584844 0.609591 O\n0.250000 0.415156 0.390409 O\n0.750000 0.238521 0.424345 O\n0.435513 0.862631 0.334618 O\n0.064487 0.862631 0.334618 O\n0.750000 0.521214 0.153969 O\n0.750000 0.973323 0.129316 O\n0.250000 0.270357 0.073617 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Li",
"Dy",
"P",
"C",
"O"
],
"chemical_system": "C-Dy-Li-O-P",
"density": 3.622840686210201,
"density_atomic": 0.07900932268848068,
"volume": 303.7616218357878,
"volume_molar": 7.62206351742085,
"formula_full": "Li4 Dy2 P2 C2 O14",
"formula_reduced": "Li2DyPCO7",
"formula_anonymous": "ABCD2E7",
"energy": -182.19412277,
"energy_per_atom": -7.591421782083334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -172.57612277,
"band_gap": 4.784800000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.001001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.039000Z",
"spacegroup": 11
},
{
"id": "mp-774795",
"created_at": "2022-09-04T14:39:36.956990Z",
"structure_string": "Na8 Mn4 P4 C4 O28\n1.0\n5.177240 0.000000 0.000000\n-0.208984 8.918630 0.000000\n-0.059832 -0.132302 13.428411\nNa Mn P C O\n8 4 4 4 28\ndirect\n0.243133 0.749507 0.994349 Na\n0.245530 0.759691 0.754657 Na\n0.246354 0.755270 0.494479 Na\n0.248049 0.744841 0.258292 Na\n0.755243 0.241815 0.745785 Na\n0.755353 0.238585 0.498828 Na\n0.755108 0.255241 0.005762 Na\n0.230238 0.085804 0.138751 Na\n0.783695 0.648190 0.624265 Mn\n0.777160 0.645469 0.125688 Mn\n0.223314 0.354245 0.874246 Mn\n0.208200 0.343980 0.369421 Mn\n0.706596 0.579914 0.877810 P\n0.709071 0.575399 0.372446 P\n0.289374 0.421079 0.625773 P\n0.301935 0.421137 0.122728 P\n0.730339 0.924971 0.624811 C\n0.721454 0.932681 0.123593 C\n0.266144 0.071158 0.376813 C\n0.276325 0.072606 0.875181 C\n0.270697 0.932182 0.878628 O\n0.286501 0.931407 0.374928 O\n0.950995 0.852817 0.625166 O\n0.937419 0.854174 0.127265 O\n0.507459 0.854056 0.126336 O\n0.530355 0.832153 0.625571 O\n0.778188 0.670262 0.974154 O\n0.782187 0.673295 0.786681 O\n0.777779 0.675325 0.463508 O\n0.777944 0.664713 0.276351 O\n0.402146 0.552066 0.877368 O\n0.408580 0.541995 0.371994 O\n0.155939 0.576576 0.626138 O\n0.168532 0.574066 0.123775 O\n0.834229 0.424912 0.876806 O\n0.852287 0.425658 0.376577 O\n0.591955 0.454324 0.625794 O\n0.602447 0.453584 0.117322 O\n0.221328 0.333155 0.721219 O\n0.214105 0.327299 0.534178 O\n0.236639 0.323524 0.212403 O\n0.228676 0.324240 0.028802 O\n0.482931 0.157472 0.874316 O\n0.460531 0.167256 0.377326 O\n0.058750 0.149695 0.873929 O\n0.041911 0.137761 0.374029 O\n0.719839 0.064343 0.623838 O\n0.734183 0.073381 0.117970 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
"Na",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Mn-Na-O-P",
"density": 2.7412878941252674,
"density_atomic": 0.07741411748903806,
"volume": 620.0419452795139,
"volume_molar": 7.779124732453021,
"formula_full": "Na8 Mn4 P4 C4 O28",
"formula_reduced": "Na2MnPCO7",
"formula_anonymous": "ABCD2E7",
"energy": -355.02267356000004,
"energy_per_atom": -7.396305699166668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -329.11467356,
"band_gap": 0.6119000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.998515,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.425000Z",
"spacegroup": 1
},
{
"id": "mp-772625",
"created_at": "2022-09-04T14:41:12.446021Z",
"structure_string": "Na4 Sn2 B2 As2 O14\n1.0\n6.947380 0.000000 0.000000\n0.000000 5.525066 0.000000\n0.000000 0.467101 9.503988\nNa Sn B As O\n4 2 2 2 14\ndirect\n0.483350 0.764973 0.822228 Na\n0.016650 0.764973 0.822228 Na\n0.516650 0.235027 0.177772 Na\n0.983350 0.235027 0.177772 Na\n0.250000 0.224360 0.662102 Sn\n0.750000 0.775640 0.337898 Sn\n0.250000 0.277525 0.926516 B\n0.750000 0.722475 0.073484 B\n0.750000 0.271723 0.568162 As\n0.250000 0.728277 0.431838 As\n0.750000 0.689970 0.937108 O\n0.250000 0.050240 0.860299 O\n0.250000 0.470254 0.817416 O\n0.944885 0.191428 0.670138 O\n0.555115 0.191428 0.670138 O\n0.250000 0.865279 0.591268 O\n0.750000 0.585306 0.532021 O\n0.250000 0.414694 0.467979 O\n0.750000 0.134721 0.408732 O\n0.444885 0.808572 0.329862 O\n0.055115 0.808572 0.329862 O\n0.750000 0.529746 0.182584 O\n0.750000 0.949760 0.139701 O\n0.250000 0.310030 0.062892 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Na",
"Sn",
"B",
"As",
"O"
],
"chemical_system": "As-B-Na-O-Sn",
"density": 3.299319510592365,
"density_atomic": 0.065788023377033,
"volume": 364.80804207257194,
"volume_molar": 9.153855748920959,
"formula_full": "Na4 Sn2 B2 As2 O14",
"formula_reduced": "Na2SnBAsO7",
"formula_anonymous": "ABCD2E7",
"energy": -156.54697493999998,
"energy_per_atom": -6.5227906225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -146.92897494,
"band_gap": 1.1457999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.026000Z",
"spacegroup": 11
},
{
"id": "mp-770477",
"created_at": "2022-09-04T14:41:17.879050Z",
"structure_string": "Li4 Cu2 As2 C2 O14\n1.0\n6.342702 0.000000 0.000000\n0.000000 5.305828 0.000000\n0.000000 0.648716 8.677991\nLi Cu As C O\n4 2 2 2 14\ndirect\n0.490151 0.790354 0.771762 Li\n0.009849 0.790354 0.771762 Li\n0.509849 0.209646 0.228238 Li\n0.990151 0.209646 0.228238 Li\n0.250000 0.222716 0.655777 Cu\n0.750000 0.777284 0.344223 Cu\n0.750000 0.301526 0.565122 As\n0.250000 0.698474 0.434878 As\n0.250000 0.293989 0.949994 C\n0.750000 0.706011 0.050006 C\n0.750000 0.751751 0.903863 O\n0.250000 0.092472 0.866289 O\n0.250000 0.511345 0.877931 O\n0.954565 0.185066 0.680257 O\n0.545435 0.185066 0.680257 O\n0.250000 0.798524 0.615082 O\n0.750000 0.633917 0.551801 O\n0.250000 0.366083 0.448199 O\n0.750000 0.201476 0.384918 O\n0.454565 0.814934 0.319743 O\n0.045435 0.814934 0.319743 O\n0.750000 0.488655 0.122069 O\n0.750000 0.907528 0.133711 O\n0.250000 0.248249 0.096137 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Li",
"Cu",
"As",
"C",
"O"
],
"chemical_system": "As-C-Cu-Li-O",
"density": 3.142689527334372,
"density_atomic": 0.08217970381746934,
"volume": 292.0429118764748,
"volume_molar": 7.32801468033503,
"formula_full": "Li4 Cu2 As2 C2 O14",
"formula_reduced": "Li2CuAsCO7",
"formula_anonymous": "ABCD2E7",
"energy": -154.87582816,
"energy_per_atom": -6.453159506666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -145.25782816,
"band_gap": 0.1206999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004134,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.522000Z",
"spacegroup": 11
},
{
"id": "mp-25394",
"created_at": "2022-09-04T14:41:13.607099Z",
"structure_string": "Li8 Mn4 P4 C4 O28\n1.0\n0.000000 6.295715 0.000000\n0.204941 0.000000 8.578684\n10.353520 0.000000 0.161182\nLi Mn P C O\n8 4 4 4 28\ndirect\n0.020702 0.786634 0.390318 Li\n0.020700 0.786634 0.890318 Li\n0.979298 0.213366 0.109682 Li\n0.979299 0.213366 0.609682 Li\n0.520702 0.213366 0.109682 Li\n0.520700 0.213366 0.609682 Li\n0.479298 0.786634 0.390318 Li\n0.479299 0.786634 0.890318 Li\n0.749999 0.351768 0.886706 Mn\n0.250000 0.648233 0.613294 Mn\n0.750001 0.351780 0.386715 Mn\n0.250002 0.648223 0.113290 Mn\n0.250000 0.432036 0.353868 P\n0.250000 0.432030 0.853868 P\n0.750000 0.567964 0.146131 P\n0.750000 0.567969 0.646131 P\n0.750000 0.054899 0.359593 C\n0.750000 0.054899 0.859590 C\n0.250000 0.945101 0.140407 C\n0.250000 0.945101 0.640409 C\n0.750000 0.140729 0.253938 O\n0.750000 0.140735 0.753943 O\n0.250000 0.859271 0.246062 O\n0.250000 0.859265 0.746057 O\n0.750000 0.135254 0.467643 O\n0.750000 0.135254 0.967649 O\n0.250000 0.864745 0.032356 O\n0.250000 0.864746 0.532350 O\n0.750000 0.401521 0.094809 O\n0.750000 0.401519 0.594804 O\n0.250000 0.598479 0.405191 O\n0.250000 0.598481 0.905195 O\n0.250000 0.444969 0.202122 O\n0.250000 0.444972 0.702122 O\n0.750000 0.555031 0.297878 O\n0.750000 0.555028 0.797878 O\n0.750000 0.907235 0.366238 O\n0.750000 0.907237 0.866251 O\n0.250000 0.092764 0.133762 O\n0.250000 0.092763 0.633748 O\n0.943377 0.664501 0.097712 O\n0.943380 0.664490 0.597710 O\n0.556623 0.664501 0.097711 O\n0.556620 0.664490 0.597710 O\n0.443377 0.335498 0.402289 O\n0.443380 0.335509 0.902290 O\n0.056623 0.335499 0.402289 O\n0.056620 0.335509 0.902290 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-O-P",
"density": 2.65936260515725,
"density_atomic": 0.08587149585458818,
"volume": 558.9747741355471,
"volume_molar": 7.012968273194733,
"formula_full": "Li8 Mn4 P4 C4 O28",
"formula_reduced": "Li2MnPCO7",
"formula_anonymous": "ABCD2E7",
"energy": -361.54524476,
"energy_per_atom": -7.532192599166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -335.63724476,
"band_gap": 0.8778999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.702000Z",
"spacegroup": 11
}
]
}