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=12181",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=12179",
"results": [
{
"id": "mp-754930",
"created_at": "2022-09-04T14:41:55.903868Z",
"structure_string": "Li2 V2 C2 S2 O14\n1.0\n9.620875 0.000199 0.012546\n0.000139 6.422950 -0.000112\n0.248970 -0.000087 5.277736\nLi V C S O\n2 2 2 2 14\ndirect\n0.111028 0.584015 0.258372 Li\n0.889037 0.084069 0.741615 Li\n0.345686 0.726627 0.780664 V\n0.654126 0.226573 0.219310 V\n0.094624 0.763091 0.733649 C\n0.905377 0.263081 0.266378 C\n0.428398 0.227473 0.727719 S\n0.571603 0.727357 0.272260 S\n0.027194 0.317251 0.298648 O\n0.151353 0.740495 0.955453 O\n0.188539 0.726235 0.543486 O\n0.338895 0.043452 0.780787 O\n0.338676 0.411349 0.787474 O\n0.448077 0.726102 0.114680 O\n0.474497 0.232062 0.455685 O\n0.525530 0.732071 0.544296 O\n0.551923 0.226081 0.885260 O\n0.661404 0.911171 0.212578 O\n0.661081 0.543208 0.219268 O\n0.811472 0.226228 0.456515 O\n0.848661 0.240459 0.044569 O\n0.972818 0.817255 0.701333 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Li",
"V",
"C",
"S",
"O"
],
"chemical_system": "C-Li-O-S-V",
"density": 2.1788605969394026,
"density_atomic": 0.06746097636544912,
"volume": 326.1144618011716,
"volume_molar": 8.92685087653772,
"formula_full": "Li2 V2 C2 S2 O14",
"formula_reduced": "LiVCSO7",
"formula_anonymous": "ABCDE7",
"energy": -163.36290146,
"energy_per_atom": -7.425586429999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -150.34490146,
"band_gap": 2.1325,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0084884,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.964000Z",
"spacegroup": 4
},
{
"id": "mp-774606",
"created_at": "2022-09-04T14:41:53.467442Z",
"structure_string": "Na4 Mn4 P4 C4 O28\n1.0\n6.255156 0.000000 0.000000\n0.000000 9.080285 0.000000\n0.000000 0.341330 10.439759\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.030453 0.240449 0.374291 Na\n0.469547 0.240449 0.874291 Na\n0.969547 0.759551 0.625709 Na\n0.530453 0.759551 0.125709 Na\n0.749878 0.342185 0.641389 Mn\n0.750122 0.342185 0.141389 Mn\n0.250122 0.657815 0.358611 Mn\n0.249878 0.657815 0.858611 Mn\n0.248800 0.432990 0.608627 P\n0.251200 0.432990 0.108627 P\n0.751200 0.567010 0.391373 P\n0.748800 0.567010 0.891373 P\n0.740248 0.077342 0.614795 C\n0.759752 0.077342 0.114795 C\n0.259752 0.922658 0.385205 C\n0.240248 0.922658 0.885205 C\n0.262443 0.056133 0.400126 O\n0.237557 0.056133 0.900126 O\n0.738836 0.142000 0.726193 O\n0.761164 0.142000 0.226193 O\n0.747002 0.178440 0.519954 O\n0.752998 0.178440 0.019954 O\n0.056341 0.328349 0.634323 O\n0.440918 0.333501 0.646917 O\n0.059082 0.333501 0.146917 O\n0.443659 0.328349 0.134323 O\n0.250794 0.475699 0.463117 O\n0.759732 0.425917 0.314364 O\n0.249206 0.475699 0.963117 O\n0.740268 0.425917 0.814364 O\n0.240268 0.574083 0.685636 O\n0.749206 0.524301 0.536883 O\n0.259732 0.574083 0.185636 O\n0.750794 0.524301 0.036883 O\n0.559082 0.666499 0.353083 O\n0.943659 0.671651 0.365677 O\n0.556341 0.671651 0.865677 O\n0.940918 0.666499 0.853083 O\n0.252998 0.821560 0.480046 O\n0.247002 0.821560 0.980046 O\n0.261164 0.858000 0.273807 O\n0.238836 0.858000 0.773807 O\n0.737557 0.943867 0.599874 O\n0.762443 0.943867 0.099874 O\n",
"nsites": 44,
"nelements": 5,
"elements": [
"Na",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Mn-Na-O-P",
"density": 2.6089486958564407,
"density_atomic": 0.07420353210709625,
"volume": 592.9636871799554,
"volume_molar": 8.115706340377951,
"formula_full": "Na4 Mn4 P4 C4 O28",
"formula_reduced": "NaMnPCO7",
"formula_anonymous": "ABCDE7",
"energy": -334.68928307,
"energy_per_atom": -7.606574615227273,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -308.78128307,
"band_gap": 0.4925,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 12.00054,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.371000Z",
"spacegroup": 14
},
{
"id": "mp-768161",
"created_at": "2022-09-04T14:41:57.176736Z",
"structure_string": "Li2 Si2 P2 C2 O14\n1.0\n6.030129 0.000000 0.000000\n0.000000 4.968681 0.000000\n0.000000 0.694334 8.409003\nLi Si P C O\n2 2 2 2 14\ndirect\n0.478234 0.768098 0.805464 Li\n0.978234 0.231902 0.194536 Li\n0.248102 0.211335 0.666079 Si\n0.748102 0.788665 0.333921 Si\n0.754262 0.263950 0.567139 P\n0.254262 0.736050 0.432861 P\n0.251544 0.273373 0.931057 C\n0.751544 0.726627 0.068943 C\n0.734665 0.686731 0.927223 O\n0.253141 0.036324 0.866867 O\n0.263510 0.465163 0.808973 O\n0.956779 0.202903 0.672790 O\n0.551918 0.192142 0.672822 O\n0.258380 0.900404 0.580768 O\n0.751613 0.568902 0.507114 O\n0.251613 0.431098 0.492886 O\n0.758380 0.099596 0.419232 O\n0.051918 0.807858 0.327178 O\n0.456779 0.797097 0.327210 O\n0.763510 0.534837 0.191027 O\n0.753141 0.963676 0.133133 O\n0.234665 0.313269 0.072777 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Li",
"Si",
"P",
"C",
"O"
],
"chemical_system": "C-Li-O-P-Si",
"density": 2.5045858623063544,
"density_atomic": 0.08731934221835705,
"volume": 251.94876004660242,
"volume_molar": 6.896685896855017,
"formula_full": "Li2 Si2 P2 C2 O14",
"formula_reduced": "LiSiPCO7",
"formula_anonymous": "ABCDE7",
"energy": -168.44185854,
"energy_per_atom": -7.656448115454546,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -158.82385854,
"band_gap": 5.7639,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.795000Z",
"spacegroup": 4
},
{
"id": "mp-774684",
"created_at": "2022-09-04T14:41:19.931419Z",
"structure_string": "Na4 Mn4 P4 C4 O28\n1.0\n6.248153 0.000000 0.000000\n0.000000 5.246204 0.000000\n0.000000 0.793345 18.346003\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.972047 0.758662 0.880657 Na\n0.472047 0.241338 0.619343 Na\n0.527953 0.758662 0.380657 Na\n0.027953 0.241338 0.119343 Na\n0.266693 0.216982 0.827672 Mn\n0.766693 0.783018 0.672328 Mn\n0.233307 0.216982 0.327672 Mn\n0.733307 0.783018 0.172328 Mn\n0.760196 0.277539 0.782576 P\n0.260196 0.722461 0.717424 P\n0.739804 0.277539 0.282576 P\n0.239804 0.722461 0.217424 P\n0.254577 0.274009 0.957869 C\n0.754577 0.725991 0.542131 C\n0.245423 0.274009 0.457869 C\n0.745423 0.725991 0.042131 C\n0.751966 0.693799 0.976409 O\n0.257906 0.050886 0.927157 O\n0.257611 0.461456 0.906603 O\n0.954064 0.208155 0.832699 O\n0.569660 0.214313 0.833812 O\n0.767642 0.567767 0.761652 O\n0.252905 0.874289 0.786959 O\n0.752905 0.125711 0.713041 O\n0.267642 0.432233 0.738348 O\n0.454064 0.791845 0.667301 O\n0.069660 0.785687 0.666188 O\n0.757611 0.538544 0.593397 O\n0.757906 0.949114 0.572843 O\n0.251966 0.306201 0.523591 O\n0.748034 0.693799 0.476409 O\n0.242094 0.050886 0.427157 O\n0.242389 0.461456 0.406603 O\n0.930340 0.214313 0.333812 O\n0.545936 0.208155 0.332699 O\n0.732358 0.567767 0.261652 O\n0.247095 0.874289 0.286959 O\n0.747095 0.125711 0.213041 O\n0.232358 0.432233 0.238348 O\n0.430340 0.785687 0.166188 O\n0.045936 0.791845 0.167301 O\n0.742389 0.538544 0.093397 O\n0.742094 0.949114 0.072843 O\n0.248034 0.306201 0.023591 O\n",
"nsites": 44,
"nelements": 5,
"elements": [
"Na",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Mn-Na-O-P",
"density": 2.5724997842586044,
"density_atomic": 0.07316685477177176,
"volume": 601.3651965394511,
"volume_molar": 8.230695140285546,
"formula_full": "Na4 Mn4 P4 C4 O28",
"formula_reduced": "NaMnPCO7",
"formula_anonymous": "ABCDE7",
"energy": -334.73615272,
"energy_per_atom": -7.607639834545455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -308.82815272,
"band_gap": 0.4927,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 11.9992658,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.242000Z",
"spacegroup": 14
},
{
"id": "mp-1176697",
"created_at": "2022-09-04T14:40:17.629367Z",
"structure_string": "Li2 Fe2 P2 C2 O14\n1.0\n5.146124 0.000000 0.000000\n0.328751 6.311841 0.000000\n0.403377 0.446236 8.853743\nLi Fe P C O\n2 2 2 2 14\ndirect\n0.301354 0.531595 0.273450 Li\n0.698646 0.468405 0.726550 Li\n0.791347 0.754884 0.146478 Fe\n0.208653 0.245116 0.853522 Fe\n0.690069 0.258460 0.072982 P\n0.309931 0.741540 0.927018 P\n0.729560 0.728489 0.435748 C\n0.270440 0.271511 0.564252 C\n0.528741 0.764324 0.353786 O\n0.950247 0.707697 0.360007 O\n0.284577 0.284298 0.422085 O\n0.676507 0.448377 0.177153 O\n0.814548 0.061682 0.155073 O\n0.149016 0.681457 0.076042 O\n0.407319 0.217407 0.031589 O\n0.592681 0.782593 0.968411 O\n0.850984 0.318543 0.923958 O\n0.323493 0.551623 0.822847 O\n0.185452 0.938318 0.844927 O\n0.715423 0.715702 0.577915 O\n0.471259 0.235676 0.646214 O\n0.049753 0.292303 0.639993 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Li",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Li-O-P",
"density": 2.5148175432880446,
"density_atomic": 0.07649965429582847,
"volume": 287.58299893650184,
"volume_molar": 7.872114998993384,
"formula_full": "Li2 Fe2 P2 C2 O14",
"formula_reduced": "LiFePCO7",
"formula_anonymous": "ABCDE7",
"energy": -165.06331626,
"energy_per_atom": -7.502878011818182,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -150.93331626,
"band_gap": 0.0259,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.000333,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.015000Z",
"spacegroup": 2
},
{
"id": "mp-772809",
"created_at": "2022-09-04T14:40:06.915813Z",
"structure_string": "K2 Sn2 P2 C2 O14\n1.0\n6.582540 0.000000 0.000000\n0.000000 5.316859 0.000000\n0.000000 0.358045 10.614368\nK Sn P C O\n2 2 2 2 14\ndirect\n0.606686 0.777124 0.805633 K\n0.106686 0.222876 0.194367 K\n0.220098 0.219005 0.641571 Sn\n0.720098 0.780995 0.358429 Sn\n0.723481 0.274447 0.556470 P\n0.223481 0.725553 0.443530 P\n0.265880 0.292001 0.874213 C\n0.765880 0.707999 0.125787 C\n0.799918 0.671595 0.013423 O\n0.244839 0.063547 0.824805 O\n0.250710 0.478364 0.784716 O\n0.906660 0.210188 0.643006 O\n0.539059 0.199441 0.639023 O\n0.227913 0.865737 0.568342 O\n0.716907 0.562978 0.523658 O\n0.216907 0.437022 0.476342 O\n0.727913 0.134263 0.431658 O\n0.039059 0.800559 0.360977 O\n0.406660 0.789812 0.356994 O\n0.750710 0.521636 0.215284 O\n0.744839 0.936453 0.175195 O\n0.299918 0.328405 0.986577 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"K",
"Sn",
"P",
"C",
"O"
],
"chemical_system": "C-K-O-P-Sn",
"density": 2.796321912849023,
"density_atomic": 0.05922156639728928,
"volume": 371.4862901871335,
"volume_molar": 10.168830590532385,
"formula_full": "K2 Sn2 P2 C2 O14",
"formula_reduced": "KSnPCO7",
"formula_anonymous": "ABCDE7",
"energy": -158.85137964999998,
"energy_per_atom": -7.220517256818181,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -149.23337965,
"band_gap": 2.4247,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010116,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.806000Z",
"spacegroup": 4
},
{
"id": "mp-769584",
"created_at": "2022-09-04T14:39:45.510856Z",
"structure_string": "Na2 Mn2 P2 C2 O14\n1.0\n6.258094 0.000000 0.000000\n0.000000 5.253293 0.000000\n0.000000 0.392391 9.036438\nNa Mn P C O\n2 2 2 2 14\ndirect\n0.524248 0.760869 0.764168 Na\n0.024248 0.239131 0.235832 Na\n0.238700 0.215588 0.656945 Mn\n0.738700 0.784412 0.343055 Mn\n0.744854 0.278555 0.566767 P\n0.244854 0.721445 0.433233 P\n0.255416 0.274346 0.921167 C\n0.755416 0.725654 0.078833 C\n0.760836 0.691297 0.944984 O\n0.250219 0.051156 0.860109 O\n0.252787 0.460069 0.816851 O\n0.935973 0.215378 0.670555 O\n0.550869 0.204763 0.666813 O\n0.252453 0.871325 0.575549 O\n0.735793 0.569208 0.525170 O\n0.235793 0.430792 0.474830 O\n0.752453 0.128675 0.424451 O\n0.050869 0.795237 0.333187 O\n0.435973 0.784622 0.329445 O\n0.752787 0.539931 0.183149 O\n0.750219 0.948844 0.139891 O\n0.260836 0.308703 0.055016 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Na",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Mn-Na-O-P",
"density": 2.603710305278642,
"density_atomic": 0.07405454217714993,
"volume": 297.0783337958203,
"volume_molar": 8.132034285748613,
"formula_full": "Na2 Mn2 P2 C2 O14",
"formula_reduced": "NaMnPCO7",
"formula_anonymous": "ABCDE7",
"energy": -167.34149815,
"energy_per_atom": -7.60643173409091,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -154.38749815,
"band_gap": 0.4931,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0008375,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.702000Z",
"spacegroup": 4
},
{
"id": "mp-774775",
"created_at": "2022-09-04T14:39:45.227612Z",
"structure_string": "Na4 Mn4 P4 C4 O28\n1.0\n8.131296 0.000000 0.000000\n-1.507497 8.004849 0.000000\n-0.237787 -0.266768 9.154004\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.146090 0.600851 0.754513 Na\n0.850377 0.896032 0.754988 Na\n0.149623 0.103968 0.245012 Na\n0.853910 0.399149 0.245487 Na\n0.273724 0.021939 0.659595 Mn\n0.760768 0.512320 0.655428 Mn\n0.239232 0.487680 0.344572 Mn\n0.726276 0.978061 0.340405 Mn\n0.484846 0.737458 0.566785 P\n0.982951 0.231296 0.565970 P\n0.515154 0.262542 0.433215 P\n0.017049 0.768704 0.434030 P\n0.737001 0.491972 0.918427 C\n0.240115 0.986134 0.920524 C\n0.262999 0.508028 0.081573 C\n0.759885 0.013866 0.079476 C\n0.276313 0.518705 0.948780 O\n0.777774 0.034136 0.948021 O\n0.351777 0.099511 0.860159 O\n0.851693 0.602538 0.852589 O\n0.641326 0.396494 0.819017 O\n0.144478 0.892464 0.815748 O\n0.619386 0.677136 0.665410 O\n0.110503 0.167582 0.668493 O\n0.416920 0.858971 0.672402 O\n0.925315 0.368306 0.663116 O\n0.338569 0.588779 0.526500 O\n0.443060 0.184729 0.573117 O\n0.941158 0.694984 0.576912 O\n0.835675 0.084969 0.525053 O\n0.661431 0.411221 0.473500 O\n0.556940 0.815271 0.426883 O\n0.058842 0.305016 0.423088 O\n0.164325 0.915031 0.474947 O\n0.583080 0.141029 0.327598 O\n0.380614 0.322864 0.334590 O\n0.074685 0.631694 0.336884 O\n0.889497 0.832418 0.331507 O\n0.358674 0.603506 0.180983 O\n0.855522 0.107536 0.184252 O\n0.648223 0.900489 0.139841 O\n0.148307 0.397462 0.147411 O\n0.723687 0.481295 0.051220 O\n0.222226 0.965864 0.051979 O\n",
"nsites": 44,
"nelements": 5,
"elements": [
"Na",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Mn-Na-O-P",
"density": 2.5963881867180767,
"density_atomic": 0.0738462870050326,
"volume": 595.8322589326856,
"volume_molar": 8.154967574185001,
"formula_full": "Na4 Mn4 P4 C4 O28",
"formula_reduced": "NaMnPCO7",
"formula_anonymous": "ABCDE7",
"energy": -334.60514793000004,
"energy_per_atom": -7.604662452954546,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -308.69714793,
"band_gap": 0.4924,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 12.0026954,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.581000Z",
"spacegroup": 2
},
{
"id": "mp-767415",
"created_at": "2022-09-04T14:46:40.187969Z",
"structure_string": "K2 Nb2 P2 C2 O14\n1.0\n6.524860 0.000000 0.000000\n0.000000 5.608479 0.000000\n0.000000 0.249013 10.090075\nK Nb P C O\n2 2 2 2 14\ndirect\n0.560754 0.746595 0.766990 K\n0.060754 0.253405 0.233010 K\n0.222039 0.221154 0.662970 Nb\n0.722039 0.778846 0.337030 Nb\n0.729715 0.280143 0.555978 P\n0.229715 0.719857 0.444022 P\n0.264954 0.277665 0.910621 C\n0.764954 0.722335 0.089379 C\n0.786175 0.695258 0.970815 O\n0.258345 0.065274 0.849142 O\n0.247523 0.455342 0.817978 O\n0.920789 0.229706 0.648400 O\n0.540746 0.232337 0.646621 O\n0.237511 0.890122 0.560346 O\n0.733599 0.544171 0.511753 O\n0.233599 0.455829 0.488247 O\n0.737511 0.109878 0.439654 O\n0.040746 0.767663 0.353379 O\n0.420789 0.770294 0.351600 O\n0.747523 0.544658 0.182022 O\n0.758345 0.934726 0.150858 O\n0.286175 0.304742 0.029185 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"K",
"Nb",
"P",
"C",
"O"
],
"chemical_system": "C-K-Nb-O-P",
"density": 2.581234808421763,
"density_atomic": 0.05958157655508382,
"volume": 369.2416560958362,
"volume_molar": 10.107387397566537,
"formula_full": "K2 Nb2 P2 C2 O14",
"formula_reduced": "KNbPCO7",
"formula_anonymous": "ABCDE7",
"energy": -174.89599164,
"energy_per_atom": -7.949817801818182,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -165.27799164,
"band_gap": 0.4433,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9985764,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.537000Z",
"spacegroup": 4
},
{
"id": "mp-768159",
"created_at": "2022-09-04T14:46:37.156107Z",
"structure_string": "Li2 Sn2 P2 C2 O14\n1.0\n6.548304 0.000000 0.000000\n0.000000 5.234350 0.000000\n0.000000 0.615862 8.935639\nLi Sn P C O\n2 2 2 2 14\ndirect\n0.468759 0.765169 0.838405 Li\n0.968759 0.234831 0.161595 Li\n0.248275 0.211145 0.657616 Sn\n0.748275 0.788855 0.342384 Sn\n0.750988 0.269309 0.571492 P\n0.250988 0.730691 0.428508 P\n0.259810 0.272802 0.938347 C\n0.759810 0.727198 0.061653 C\n0.729873 0.690618 0.928338 O\n0.262279 0.042983 0.881211 O\n0.283320 0.463896 0.830555 O\n0.937151 0.197427 0.670204 O\n0.564426 0.170474 0.662549 O\n0.259347 0.848158 0.583341 O\n0.737922 0.566164 0.538822 O\n0.237922 0.433836 0.461178 O\n0.759347 0.151842 0.416659 O\n0.064426 0.829526 0.337451 O\n0.437151 0.802573 0.329796 O\n0.783320 0.536104 0.169445 O\n0.762279 0.957017 0.118789 O\n0.229873 0.309382 0.071662 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Li",
"Sn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-O-P-Sn",
"density": 3.0429718560903667,
"density_atomic": 0.0718299351042016,
"volume": 306.2789903413561,
"volume_molar": 8.383887234846942,
"formula_full": "Li2 Sn2 P2 C2 O14",
"formula_reduced": "LiSnPCO7",
"formula_anonymous": "ABCDE7",
"energy": -160.02472795,
"energy_per_atom": -7.2738512704545455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -150.40672795,
"band_gap": 2.7861,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005954,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:37.859000Z",
"spacegroup": 4
},
{
"id": "mp-768612",
"created_at": "2022-09-04T14:45:53.895221Z",
"structure_string": "Li2 Cr2 As2 C2 O14\n1.0\n6.458714 0.000000 0.000000\n0.000000 5.173482 0.000000\n0.000000 0.597241 8.827727\nLi Cr As C O\n2 2 2 2 14\ndirect\n0.495757 0.782299 0.797512 Li\n0.995757 0.217701 0.202488 Li\n0.243206 0.200057 0.672223 Cr\n0.743206 0.799943 0.327777 Cr\n0.750162 0.281901 0.571880 As\n0.250162 0.718099 0.428120 As\n0.253815 0.271440 0.936423 C\n0.753815 0.728560 0.063577 C\n0.721367 0.675546 0.932404 O\n0.254694 0.038793 0.883518 O\n0.283026 0.453243 0.820539 O\n0.956382 0.201123 0.690112 O\n0.549712 0.165730 0.681896 O\n0.264258 0.860402 0.597997 O\n0.729856 0.609170 0.529857 O\n0.229856 0.390830 0.470143 O\n0.764258 0.139598 0.402003 O\n0.049712 0.834270 0.318104 O\n0.456382 0.798877 0.309888 O\n0.783026 0.546757 0.179461 O\n0.754694 0.961207 0.116482 O\n0.221367 0.324454 0.067596 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Li",
"Cr",
"As",
"C",
"O"
],
"chemical_system": "As-C-Cr-Li-O",
"density": 2.903313537169106,
"density_atomic": 0.07458384875902917,
"volume": 294.9700285792327,
"volume_molar": 8.074322873115282,
"formula_full": "Li2 Cr2 As2 C2 O14",
"formula_reduced": "LiCrAsCO7",
"formula_anonymous": "ABCDE7",
"energy": -161.46790367,
"energy_per_atom": -7.339450166818182,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -147.85190367,
"band_gap": 0.6708000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9992965,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:09.883000Z",
"spacegroup": 4
},
{
"id": "mp-769484",
"created_at": "2022-09-04T14:46:22.850638Z",
"structure_string": "Na4 Mn4 P4 C4 O28\n1.0\n8.133855 0.000000 0.000000\n-1.473953 8.024055 0.000000\n-0.403488 -0.116794 9.104706\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.396200 0.850116 0.755234 Na\n0.102472 0.143306 0.754593 Na\n0.894974 0.866178 0.238916 Na\n0.394350 0.365353 0.237765 Na\n0.522890 0.272513 0.660009 Mn\n0.011057 0.760945 0.656032 Mn\n0.476698 0.738095 0.342886 Mn\n0.975322 0.240190 0.342158 Mn\n0.732864 0.985880 0.566102 P\n0.234905 0.483654 0.566461 P\n0.760680 0.516240 0.433398 P\n0.264852 0.020886 0.434440 P\n0.993784 0.736110 0.920587 C\n0.492028 0.234557 0.922203 C\n0.512328 0.759106 0.080522 C\n0.007530 0.263442 0.079092 C\n0.534445 0.768429 0.948177 O\n0.026338 0.275119 0.946539 O\n0.605012 0.345393 0.861384 O\n0.106453 0.847055 0.853676 O\n0.898319 0.640343 0.821497 O\n0.397653 0.139928 0.817357 O\n0.867823 0.924601 0.668375 O\n0.358621 0.415482 0.674512 O\n0.667749 0.109860 0.667510 O\n0.177130 0.619551 0.661218 O\n0.586788 0.838936 0.524850 O\n0.688285 0.439328 0.574215 O\n0.191531 0.944481 0.578080 O\n0.086845 0.338931 0.524682 O\n0.902718 0.667881 0.473437 O\n0.809415 0.061247 0.424866 O\n0.315368 0.555141 0.425502 O\n0.406452 0.171467 0.474975 O\n0.824413 0.391601 0.331251 O\n0.627811 0.578949 0.329820 O\n0.325092 0.891165 0.335497 O\n0.128682 0.080560 0.332609 O\n0.604509 0.855992 0.182965 O\n0.100931 0.359631 0.181460 O\n0.893360 0.153631 0.142761 O\n0.394786 0.652375 0.143223 O\n0.981166 0.726565 0.054460 O\n0.471473 0.217691 0.054708 O\n",
"nsites": 44,
"nelements": 5,
"elements": [
"Na",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Mn-Na-O-P",
"density": 2.603378941850018,
"density_atomic": 0.0740451175622259,
"volume": 594.2322930748724,
"volume_molar": 8.133069347805579,
"formula_full": "Na4 Mn4 P4 C4 O28",
"formula_reduced": "NaMnPCO7",
"formula_anonymous": "ABCDE7",
"energy": -334.65215417,
"energy_per_atom": -7.605730776590909,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -308.74415417,
"band_gap": 0.9045,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0023413,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.711000Z",
"spacegroup": 1
}
]
}