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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=10244",
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"results": [
{
"id": "mp-1192499",
"created_at": "2022-09-04T14:41:20.567973Z",
"structure_string": "Ba4 V4 Fe2 H2 O18\n1.0\n0.000000 -6.267735 0.000000\n-7.383706 0.000000 3.132894\n-0.009137 0.000000 -9.320732\nBa V Fe H O\n4 4 2 2 18\ndirect\n0.750000 0.320115 0.410504 Ba\n0.250000 0.679885 0.589496 Ba\n0.750000 0.735190 0.245714 Ba\n0.250000 0.264810 0.754286 Ba\n0.250000 0.045676 0.333209 V\n0.750000 0.954324 0.666791 V\n0.750000 0.564887 0.826966 V\n0.250000 0.435113 0.173034 V\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.750000 0.265374 0.019417 H\n0.250000 0.734626 0.980583 H\n0.486896 0.002837 0.217493 O\n0.986896 0.997163 0.782507 O\n0.513104 0.997163 0.782507 O\n0.013104 0.002837 0.217493 O\n0.530014 0.501164 0.706761 O\n0.030013 0.498836 0.293239 O\n0.469986 0.498836 0.293239 O\n0.969986 0.501164 0.706761 O\n0.750000 0.809330 0.950594 O\n0.250000 0.190670 0.049406 O\n0.250000 0.268263 0.457543 O\n0.750000 0.731737 0.542457 O\n0.750000 0.175395 0.068710 O\n0.250000 0.824605 0.931289 O\n0.250000 0.920974 0.445342 O\n0.750000 0.079026 0.554658 O\n0.750000 0.450273 0.948637 O\n0.250000 0.549727 0.051363 O\n",
"nsites": 30,
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"elements": [
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"V",
"Fe",
"H",
"O"
],
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"density": 4.443534953936293,
"density_atomic": 0.06951933534754504,
"volume": 431.5346205486903,
"volume_molar": 8.662540759191339,
"formula_full": "Ba4 V4 Fe2 H2 O18",
"formula_reduced": "Ba2V2FeHO9",
"formula_anonymous": "ABC2D2E9",
"energy": -233.76785902,
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"energy_above_hull": null,
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"band_gap": 2.2895,
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"updated_at": "2021-11-28T01:35:17.741000Z",
"spacegroup": 11
},
{
"id": "mp-754568",
"created_at": "2022-09-04T14:41:31.334939Z",
"structure_string": "Na5 Li1 Mn2 P2 C2 O14\n1.0\n8.987375 -0.000582 0.129369\n-0.000449 6.855514 0.000294\n0.059522 0.000219 5.194387\nNa Li Mn P C O\n5 1 2 2 2 14\ndirect\n0.253739 0.003978 0.253372 Na\n0.253737 0.495986 0.253396 Na\n0.741457 0.502450 0.740725 Na\n0.741449 0.997554 0.740779 Na\n0.913264 0.749999 0.233756 Na\n0.107167 0.249989 0.765962 Li\n0.356554 0.749735 0.776751 Mn\n0.633034 0.250316 0.219065 Mn\n0.406386 0.249961 0.711276 P\n0.585502 0.750061 0.282575 P\n0.059157 0.749962 0.728744 C\n0.951267 0.250012 0.281198 C\n0.082244 0.249972 0.381558 O\n0.116368 0.749924 0.956393 O\n0.148838 0.749949 0.527011 O\n0.311507 0.069745 0.796128 O\n0.311543 0.430170 0.796075 O\n0.426041 0.250061 0.411606 O\n0.427870 0.749930 0.167933 O\n0.564126 0.250078 0.827915 O\n0.567482 0.749949 0.583361 O\n0.677590 0.567420 0.196919 O\n0.677603 0.932729 0.196875 O\n0.833971 0.250052 0.436261 O\n0.935714 0.250023 0.032957 O\n0.916390 0.749994 0.701412 O\n",
"nsites": 26,
"nelements": 6,
"elements": [
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"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.811212025183829,
"density_atomic": 0.08125270037492824,
"volume": 319.989365030663,
"volume_molar": 7.411619222760287,
"formula_full": "Na5 Li1 Mn2 P2 C2 O14",
"formula_reduced": "Na5LiMn2P2(CO7)2",
"formula_anonymous": "AB2C2D2E5F14",
"energy": -187.10740055,
"energy_per_atom": -7.196438482692307,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -174.15340055,
"band_gap": 3.3952,
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"is_magnetic": true,
"total_magnetization": 10.0022204,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.409000Z",
"spacegroup": 6
},
{
"id": "mp-768661",
"created_at": "2022-09-04T14:47:16.425248Z",
"structure_string": "Na2 Fe2 C2 S2 O14\n1.0\n6.592414 0.000000 0.000000\n0.000000 5.303850 0.000000\n0.000000 0.302241 9.121181\nNa Fe C S O\n2 2 2 2 14\ndirect\n0.511047 0.765977 0.784237 Na\n0.011047 0.234023 0.215763 Na\n0.230843 0.220849 0.659281 Fe\n0.730843 0.779151 0.340719 Fe\n0.260552 0.275190 0.922131 C\n0.760552 0.724810 0.077869 C\n0.744197 0.274307 0.567584 S\n0.244197 0.725693 0.432416 S\n0.754535 0.691855 0.944564 O\n0.258322 0.052343 0.858963 O\n0.264968 0.462035 0.819201 O\n0.924181 0.217768 0.660257 O\n0.562790 0.193916 0.652519 O\n0.258090 0.861878 0.572623 O\n0.732624 0.552610 0.531760 O\n0.232624 0.447390 0.468240 O\n0.758090 0.138122 0.427377 O\n0.062790 0.806084 0.347481 O\n0.424181 0.782232 0.339743 O\n0.764968 0.537965 0.180799 O\n0.758322 0.947657 0.141037 O\n0.254535 0.308145 0.055436 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
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"Fe",
"C",
"S",
"O"
],
"chemical_system": "C-Fe-Na-O-S",
"density": 2.446171605211914,
"density_atomic": 0.06898201890455433,
"volume": 318.9236898160358,
"volume_molar": 8.730015235321574,
"formula_full": "Na2 Fe2 C2 S2 O14",
"formula_reduced": "NaFeCSO7",
"formula_anonymous": "ABCDE7",
"energy": -156.69183351,
"energy_per_atom": -7.122356068636364,
"energy_above_hull": null,
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"band_gap": 1.3477,
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"total_magnetization": 10.0022658,
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"updated_at": "2021-11-28T01:38:03.571000Z",
"spacegroup": 4
},
{
"id": "mp-777701",
"created_at": "2022-09-04T14:47:45.582213Z",
"structure_string": "Li5 Mn3 Cu2 P6 O24\n1.0\n8.221972 0.145800 -0.277450\n4.284710 8.100141 -0.155719\n3.976001 2.734474 6.869570\nLi Mn Cu P O\n5 3 2 6 24\ndirect\n0.768779 0.131081 0.352476 Li\n0.189290 0.858282 0.669435 Li\n0.675586 0.163351 0.844954 Li\n0.861632 0.674380 0.198883 Li\n0.845741 0.822089 0.851266 Li\n0.145307 0.161068 0.134701 Mn\n0.354344 0.353469 0.357154 Mn\n0.639572 0.661295 0.649588 Mn\n0.016393 0.983590 0.999768 Cu\n0.492272 0.502747 0.501755 Cu\n0.748921 0.464358 0.064388 P\n0.051886 0.749424 0.453994 P\n0.432689 0.044429 0.759303 P\n0.256688 0.540312 0.947840 P\n0.565116 0.970484 0.254026 P\n0.950462 0.249527 0.536018 P\n0.095019 0.345412 0.450776 O\n0.353903 0.479092 0.099210 O\n0.032440 0.916861 0.262487 O\n0.555324 0.100768 0.323174 O\n0.022052 0.811622 0.604740 O\n0.254722 0.601764 0.424131 O\n0.237189 0.062518 0.926379 O\n0.406695 0.234878 0.598764 O\n0.208529 0.391560 0.965995 O\n0.596919 0.413669 0.269575 O\n0.090098 0.717676 0.953756 O\n0.381573 0.024278 0.204211 O\n0.602213 0.009797 0.816544 O\n0.906134 0.274801 0.071748 O\n0.402519 0.592224 0.737404 O\n0.803288 0.602951 0.055982 O\n0.587957 0.773543 0.401758 O\n0.750938 0.953225 0.081451 O\n0.737666 0.381429 0.583358 O\n0.969571 0.180210 0.391984 O\n0.452571 0.900322 0.702651 O\n0.975519 0.089674 0.726831 O\n0.685441 0.515836 0.893026 O\n0.897040 0.673001 0.501514 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Cu",
"P",
"O"
],
"chemical_system": "Cu-Li-Mn-O-P",
"density": 3.219847342759903,
"density_atomic": 0.08652174789347118,
"volume": 462.31151096542226,
"volume_molar": 6.960262485005141,
"formula_full": "Li5 Mn3 Cu2 P6 O24",
"formula_reduced": "Li5Mn3Cu2(PO4)6",
"formula_anonymous": "A2B3C5D6E24",
"energy": -290.96177647,
"energy_per_atom": -7.27404441175,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -269.46977647,
"band_gap": 0.4498,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.283000Z",
"spacegroup": 1
},
{
"id": "mp-864652",
"created_at": "2022-09-04T14:44:25.845051Z",
"structure_string": "Nd6 Mn2 Al2 S14\n1.0\n5.001573 -8.662978 0.000000\n5.001573 8.662978 0.000000\n0.000000 0.000000 6.111433\nNd Mn Al S\n6 2 2 14\ndirect\n0.146559 0.376721 0.241284 Nd\n0.853441 0.623279 0.741284 Nd\n0.623279 0.769838 0.241284 Nd\n0.230162 0.853441 0.241284 Nd\n0.769838 0.146559 0.741284 Nd\n0.376721 0.230162 0.741284 Nd\n0.000000 0.000000 0.020910 Mn\n0.000000 0.000000 0.520910 Mn\n0.333333 0.666667 0.662956 Al\n0.666667 0.333333 0.162956 Al\n0.333333 0.666667 0.028216 S\n0.666667 0.333333 0.528216 S\n0.095257 0.239441 0.794662 S\n0.904743 0.760559 0.294662 S\n0.760559 0.855816 0.794662 S\n0.144184 0.904743 0.794662 S\n0.855816 0.095257 0.294662 S\n0.239441 0.144184 0.294662 S\n0.423202 0.520851 0.514759 S\n0.576798 0.479149 0.014759 S\n0.479149 0.902351 0.514759 S\n0.097649 0.576798 0.514759 S\n0.902351 0.423202 0.014759 S\n0.520851 0.097649 0.014759 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Nd",
"Mn",
"Al",
"S"
],
"chemical_system": "Al-Mn-Nd-S",
"density": 4.63485086379559,
"density_atomic": 0.04531733558170661,
"volume": 529.598655612228,
"volume_molar": 13.288823543348338,
"formula_full": "Nd6 Mn2 Al2 S14",
"formula_reduced": "Nd3MnAlS7",
"formula_anonymous": "ABC3D7",
"energy": -158.37491931,
"energy_per_atom": -6.5989549712499995,
"energy_above_hull": null,
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"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -151.33291931,
"band_gap": 0.4429999999999996,
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"is_magnetic": true,
"total_magnetization": 10.0022909,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:38.748000Z",
"spacegroup": 173
},
{
"id": "mp-1174777",
"created_at": "2022-09-04T14:40:37.030121Z",
"structure_string": "Li5 Mn3 O8\n1.0\n2.966606 0.000000 0.000000\n0.160249 5.112459 0.000000\n0.274375 1.909444 9.686132\nLi Mn O\n5 3 8\ndirect\n0.005486 0.781465 0.722623 Li\n0.515551 0.748226 0.272350 Li\n0.484449 0.251774 0.727650 Li\n0.994514 0.218535 0.277377 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.456639 0.856036 0.886400 O\n0.999312 0.844918 0.381485 O\n0.014922 0.372677 0.892884 O\n0.511450 0.387522 0.390022 O\n0.488550 0.612478 0.609978 O\n0.985078 0.627323 0.107116 O\n0.000688 0.155082 0.618515 O\n0.543361 0.143964 0.113600 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.7020247572891556,
"density_atomic": 0.10891304256641834,
"volume": 146.9061888546795,
"volume_molar": 5.529310923737644,
"formula_full": "Li5 Mn3 O8",
"formula_reduced": "Li5Mn3O8",
"formula_anonymous": "A3B5C8",
"energy": -109.81392634,
"energy_per_atom": -6.86337039625,
"energy_above_hull": null,
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"total_magnetization": 10.0022997,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.455000Z",
"spacegroup": 2
},
{
"id": "mp-753655",
"created_at": "2022-09-04T14:42:47.059869Z",
"structure_string": "Li1 Ti2 Mn3 O10\n1.0\n5.021443 0.000000 0.000000\n0.708280 5.035752 0.000000\n2.237002 1.765088 7.396527\nLi Ti Mn O\n1 2 3 10\ndirect\n0.676271 0.500564 0.455701 Li\n0.124062 0.985531 0.317038 Ti\n0.893329 0.992016 0.673560 Ti\n0.009628 0.502205 0.997032 Mn\n0.704578 0.017021 0.094229 Mn\n0.312148 0.994082 0.895783 Mn\n0.045170 0.785587 0.122270 O\n0.363729 0.211051 0.053141 O\n0.092315 0.217965 0.469077 O\n0.195947 0.757084 0.784090 O\n0.477987 0.817154 0.305636 O\n0.547898 0.182489 0.685246 O\n0.818614 0.250932 0.211269 O\n0.900846 0.768542 0.518998 O\n0.651095 0.793931 0.940832 O\n0.969096 0.220760 0.873470 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O-Ti",
"density": 3.795310964315868,
"density_atomic": 0.08554591277798129,
"volume": 187.03406720932492,
"volume_molar": 7.039659247811594,
"formula_full": "Li1 Ti2 Mn3 O10",
"formula_reduced": "LiTi2Mn3O10",
"formula_anonymous": "AB2C3D10",
"energy": -134.49729107,
"energy_per_atom": -8.406080691875,
"energy_above_hull": null,
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"energy_uncorrected": -122.62329107,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.949000Z",
"spacegroup": 1
},
{
"id": "mp-26937",
"created_at": "2022-09-04T14:43:36.467689Z",
"structure_string": "Li2 Mn2 P6 O18\n1.0\n3.241358 -5.614196 0.000000\n3.241358 5.614196 0.000000\n0.000000 0.000000 9.844751\nLi Mn P O\n2 2 6 18\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.666667 0.333333 0.500000 Mn\n0.666667 0.333333 0.000000 Mn\n0.060489 0.410491 0.250000 P\n0.060489 0.649998 0.750000 P\n0.350002 0.410491 0.750000 P\n0.589509 0.649998 0.250000 P\n0.589509 0.939511 0.750000 P\n0.350002 0.939511 0.250000 P\n0.705012 0.644614 0.118159 O\n0.117798 0.681552 0.250000 O\n0.355386 0.294988 0.618159 O\n0.355386 0.294988 0.881841 O\n0.355386 0.060399 0.381841 O\n0.355386 0.060399 0.118159 O\n0.705012 0.644614 0.381841 O\n0.318448 0.882202 0.750000 O\n0.939601 0.644614 0.881841 O\n0.939601 0.644614 0.618159 O\n0.563754 0.882202 0.250000 O\n0.705012 0.060399 0.881841 O\n0.318448 0.436246 0.250000 O\n0.563754 0.681552 0.750000 O\n0.939601 0.294988 0.118159 O\n0.939601 0.294988 0.381841 O\n0.117798 0.436246 0.750000 O\n0.705012 0.060399 0.618159 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.769510499415122,
"density_atomic": 0.07814635549274174,
"volume": 358.3020580224071,
"volume_molar": 7.706233671459367,
"formula_full": "Li2 Mn2 P6 O18",
"formula_reduced": "LiMn(PO3)3",
"formula_anonymous": "ABC3D9",
"energy": -216.17894906,
"energy_per_atom": -7.720676752142857,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -200.47694906,
"band_gap": 4.6678,
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"updated_at": "2021-11-28T01:36:20.880000Z",
"spacegroup": 188
},
{
"id": "mp-1193519",
"created_at": "2022-09-04T14:42:00.275607Z",
"structure_string": "Li2 U4 Cl6 O16\n1.0\n7.820580 -0.055651 -0.697904\n-1.010995 8.021050 -3.199062\n0.216031 0.093629 8.710233\nLi U Cl O\n2 4 6 16\ndirect\n0.638100 0.191931 0.776296 Li\n0.361900 0.808069 0.223704 Li\n0.186691 0.193297 0.205449 U\n0.813309 0.806703 0.794551 U\n0.629584 0.516369 0.338033 U\n0.370416 0.483631 0.661967 U\n0.446227 0.295793 0.021723 Cl\n0.553773 0.704207 0.978277 Cl\n0.887944 0.970392 0.141037 Cl\n0.112056 0.029608 0.858963 Cl\n0.090230 0.245669 0.520489 Cl\n0.909770 0.754331 0.479511 Cl\n0.307665 0.025869 0.212876 O\n0.692334 0.974131 0.787124 O\n0.070111 0.354063 0.186265 O\n0.929889 0.645937 0.813735 O\n0.747248 0.351809 0.347664 O\n0.252752 0.648191 0.652336 O\n0.505775 0.677018 0.315402 O\n0.494225 0.322982 0.684598 O\n0.385550 0.384059 0.385494 O\n0.614450 0.615941 0.614506 O\n0.718393 0.460727 0.069846 O\n0.281607 0.539273 0.930154 O\n0.871745 0.321262 0.833404 O\n0.128255 0.678738 0.166596 O\n0.567211 0.021057 0.475556 O\n0.432789 0.978943 0.524444 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"U",
"Cl",
"O"
],
"chemical_system": "Cl-Li-O-U",
"density": 4.335135183883482,
"density_atomic": 0.05095052366266678,
"volume": 549.5527422913726,
"volume_molar": 11.81958560400947,
"formula_full": "Li2 U4 Cl6 O16",
"formula_reduced": "LiU2Cl3O8",
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{
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"structure_string": "Ca4 Mn2 Nb4 O16\n1.0\n3.181125 9.688413 0.000000\n-3.181125 9.688413 0.000000\n0.000000 0.184757 5.533536\nCa Mn Nb O\n4 2 4 16\ndirect\n0.890305 0.523182 0.757017 Ca\n0.476818 0.109695 0.742983 Ca\n0.109695 0.476818 0.242983 Ca\n0.523182 0.890305 0.257017 Ca\n0.651910 0.348090 0.750000 Mn\n0.348090 0.651910 0.250000 Mn\n0.037967 0.733722 0.753776 Nb\n0.266278 0.962033 0.746224 Nb\n0.962033 0.266278 0.246224 Nb\n0.733722 0.037967 0.253776 Nb\n0.050325 0.804942 0.084125 O\n0.195058 0.949675 0.415875 O\n0.949675 0.195058 0.915875 O\n0.804942 0.050325 0.584125 O\n0.290784 0.591911 0.590165 O\n0.408089 0.709216 0.909835 O\n0.709216 0.408089 0.409835 O\n0.591911 0.290784 0.090165 O\n0.876845 0.756198 0.502716 O\n0.243802 0.123155 0.997284 O\n0.460996 0.170811 0.344630 O\n0.829189 0.539004 0.155370 O\n0.539004 0.829189 0.655370 O\n0.170811 0.460996 0.844630 O\n0.756198 0.876845 0.002716 O\n0.123155 0.243802 0.497284 O\n",
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],
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"formula_full": "Ca4 Mn2 Nb4 O16",
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{
"id": "mp-1176049",
"created_at": "2022-09-04T14:42:53.089355Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n4.979134 0.000000 0.000000\n-1.402190 5.762547 0.000000\n-1.754283 -0.779280 10.040414\nLi Mn Co O\n9 2 5 16\ndirect\n0.507238 0.380992 0.134130 Li\n0.000610 0.242825 0.258629 Li\n0.004160 0.506355 0.998616 Li\n0.501794 0.125028 0.375448 Li\n0.994485 0.998686 0.497865 Li\n0.496343 0.871172 0.617302 Li\n0.002426 0.748774 0.746510 Li\n0.496112 0.622599 0.872715 Li\n0.502382 0.627363 0.375522 Li\n0.998679 0.998678 0.002319 Mn\n0.500879 0.870730 0.130612 Mn\n0.994135 0.740787 0.255248 Co\n0.004792 0.512416 0.493418 Co\n0.502167 0.375142 0.622009 Co\n0.000303 0.251355 0.747960 Co\n0.497935 0.126585 0.871783 Co\n0.259052 0.062106 0.175903 O\n0.749429 0.928431 0.297513 O\n0.737373 0.152815 0.064525 O\n0.225709 0.805722 0.425829 O\n0.767962 0.660918 0.560428 O\n0.254921 0.557158 0.673590 O\n0.752470 0.415302 0.810395 O\n0.249400 0.306918 0.921019 O\n0.742052 0.687599 0.078243 O\n0.257388 0.603771 0.182569 O\n0.258278 0.829209 0.947236 O\n0.775279 0.445971 0.324132 O\n0.227801 0.328388 0.446384 O\n0.745950 0.190642 0.576478 O\n0.246198 0.083542 0.690468 O\n0.746299 0.942018 0.825203 O\n",
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"elements": [
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"Co",
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],
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"density": 4.167430437018864,
"density_atomic": 0.11107851443331214,
"volume": 288.08451538314137,
"volume_molar": 5.421517195042696,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
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"updated_at": "2021-11-28T01:35:57.755000Z",
"spacegroup": 1
},
{
"id": "mp-755726",
"created_at": "2022-09-04T14:43:14.865113Z",
"structure_string": "Li4 Fe2 P2 C2 O14\n1.0\n5.110154 0.000000 0.000000\n-0.052389 6.374255 0.000000\n-0.466477 -0.780165 8.493080\nLi Fe P C O\n4 2 2 2 14\ndirect\n0.746327 0.079869 0.834442 Li\n0.834334 0.588129 0.731444 Li\n0.165666 0.411871 0.268556 Li\n0.253673 0.920131 0.165558 Li\n0.219774 0.273403 0.659815 Fe\n0.780226 0.726597 0.340185 Fe\n0.319850 0.753449 0.572245 P\n0.680150 0.246551 0.427755 P\n0.261478 0.255213 0.956221 C\n0.738522 0.744787 0.043779 C\n0.465586 0.277319 0.872336 O\n0.036997 0.281600 0.879226 O\n0.723426 0.793400 0.902517 O\n0.219811 0.586294 0.677309 O\n0.256234 0.971119 0.653346 O\n0.819929 0.279993 0.595666 O\n0.621174 0.729882 0.556096 O\n0.378826 0.270118 0.443904 O\n0.180071 0.720007 0.404334 O\n0.780189 0.413706 0.322691 O\n0.743766 0.028881 0.346654 O\n0.276574 0.206600 0.097483 O\n0.534414 0.722681 0.127664 O\n0.963003 0.718400 0.120774 O\n",
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],
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"volume": 276.64870172597296,
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"formula_full": "Li4 Fe2 P2 C2 O14",
"formula_reduced": "Li2FePCO7",
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]
}