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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume_molar&page=105",
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"results": [
{
"id": "mp-758672",
"created_at": "2022-09-04T14:47:45.099978Z",
"structure_string": "Li15 Mn2 O12\n1.0\n5.469795 0.000000 0.000000\n0.002079 5.788516 0.000000\n0.038804 0.562541 7.953596\nLi Mn O\n15 2 12\ndirect\n0.008249 0.323407 0.645986 Li\n0.876605 0.738346 0.628971 Li\n0.790435 0.380209 0.911224 Li\n0.804218 0.054929 0.304189 Li\n0.696018 0.436998 0.204318 Li\n0.660209 0.107489 0.595677 Li\n0.625851 0.804831 0.875891 Li\n0.489983 0.805910 0.161386 Li\n0.370925 0.204574 0.099125 Li\n0.338947 0.930878 0.432602 Li\n0.314752 0.523460 0.793037 Li\n0.222225 0.964693 0.721295 Li\n0.150972 0.566243 0.067878 Li\n0.143181 0.277998 0.361848 Li\n0.007512 0.684526 0.345615 Li\n0.503248 0.509867 0.496289 Mn\n0.996479 0.992285 0.004470 Mn\n0.874522 0.000034 0.771739 O\n0.831010 0.695989 0.069106 O\n0.804630 0.342845 0.427464 O\n0.703865 0.145369 0.083098 O\n0.663570 0.805347 0.431410 O\n0.647876 0.516506 0.718353 O\n0.360660 0.502507 0.265384 O\n0.335486 0.211795 0.560612 O\n0.290343 0.824580 0.938762 O\n0.208720 0.669121 0.572314 O\n0.134120 0.297164 0.933659 O\n0.143143 0.999187 0.231787 O\n",
"nsites": 29,
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"elements": [
"Li",
"Mn",
"O"
],
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"density": 2.6770475339175324,
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"volume": 251.82672373721272,
"volume_molar": 5.22943440508665,
"formula_full": "Li15 Mn2 O12",
"formula_reduced": "Li15Mn2O12",
"formula_anonymous": "A2B12C15",
"energy": -165.08562309,
"energy_per_atom": -5.692607692758621,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:20.987000Z",
"spacegroup": 1
},
{
"id": "mp-758524",
"created_at": "2022-09-04T14:43:52.141355Z",
"structure_string": "Li4 Ni2 O4 F2\n1.0\n-1.449984 2.511446 0.000000\n-1.449984 -2.511446 0.000000\n0.000000 0.000000 14.307785\nLi Ni O F\n4 2 4 2\ndirect\n0.333333 0.666667 0.666652 Li\n0.333333 0.666667 0.166664 Li\n0.666667 0.333333 0.330582 Li\n0.000000 0.000000 0.002782 Li\n0.666667 0.333333 0.833708 Ni\n0.000000 0.000000 0.499630 Ni\n0.333333 0.666667 0.909021 O\n0.666667 0.333333 0.576211 O\n0.333333 0.666667 0.424284 O\n0.000000 0.000000 0.757138 O\n0.666667 0.333333 0.084387 F\n0.000000 0.000000 0.248944 F\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Ni",
"O",
"F"
],
"chemical_system": "F-Li-Ni-O",
"density": 3.9383275463396243,
"density_atomic": 0.11515738393656556,
"volume": 104.20521541727797,
"volume_molar": 5.229487293074751,
"formula_full": "Li4 Ni2 O4 F2",
"formula_reduced": "Li2NiO2F",
"formula_anonymous": "ABC2D2",
"energy": -67.31387045,
"energy_per_atom": -5.609489204166667,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -58.559870450000005,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.999603,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.168000Z",
"spacegroup": 164
},
{
"id": "mp-1008806",
"created_at": "2022-09-04T14:46:58.787767Z",
"structure_string": "Re1 C2\n1.0\n-1.390427 1.390427 3.368838\n1.390427 -1.390427 3.368838\n1.390427 1.390427 -3.368838\nRe C\n1 2\ndirect\n0.000000 0.000000 0.000000 Re\n0.666529 0.666529 0.000000 C\n0.333471 0.333471 0.000000 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Re",
"C"
],
"chemical_system": "C-Re",
"density": 13.399974714474334,
"density_atomic": 0.11515551743564463,
"volume": 26.051726107492577,
"volume_molar": 5.229572055342906,
"formula_full": "Re1 C2",
"formula_reduced": "ReC2",
"formula_anonymous": "AB2",
"energy": -26.35505247,
"energy_per_atom": -8.78501749,
"energy_above_hull": null,
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"energy_uncorrected": -26.35505247,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001635,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.511000Z",
"spacegroup": 139
},
{
"id": "mp-1198464",
"created_at": "2022-09-04T14:46:14.720952Z",
"structure_string": "P4 H28 N8 O16\n1.0\n5.728879 0.000000 0.000000\n0.000000 7.921969 0.000000\n0.000000 0.000000 10.715306\nP H N O\n4 28 8 16\ndirect\n0.904961 0.686366 0.346735 P\n0.595039 0.313634 0.846735 P\n0.404961 0.813634 0.653265 P\n0.095039 0.186366 0.153265 P\n0.338148 0.690790 0.183511 H\n0.161852 0.309210 0.683511 H\n0.838148 0.809210 0.816489 H\n0.661852 0.190790 0.316489 H\n0.525157 0.599331 0.087648 H\n0.974843 0.400669 0.587648 H\n0.025157 0.900669 0.912352 H\n0.474843 0.099331 0.412352 H\n0.640060 0.869581 0.177903 H\n0.859940 0.130419 0.677903 H\n0.140060 0.630419 0.822097 H\n0.359940 0.369581 0.322097 H\n0.435754 0.954530 0.075363 H\n0.064246 0.045470 0.575363 H\n0.935754 0.545470 0.924637 H\n0.564246 0.454530 0.424637 H\n0.673057 0.840735 0.021412 H\n0.826943 0.159265 0.521412 H\n0.173057 0.659265 0.978588 H\n0.326943 0.340735 0.478588 H\n0.231847 0.769877 0.435087 H\n0.268153 0.230123 0.935087 H\n0.731847 0.730123 0.564913 H\n0.768153 0.269877 0.064913 H\n0.998416 0.484544 0.210828 H\n0.501584 0.515456 0.710828 H\n0.498416 0.015456 0.789172 H\n0.001584 0.984544 0.289172 H\n0.410039 0.698214 0.095436 N\n0.089961 0.301786 0.595436 N\n0.910039 0.801786 0.904564 N\n0.589961 0.198214 0.404564 N\n0.547935 0.852114 0.093743 N\n0.952065 0.147886 0.593743 N\n0.047935 0.647886 0.906257 N\n0.452065 0.352114 0.406257 N\n0.181562 0.688554 0.364113 O\n0.318438 0.311446 0.864113 O\n0.681562 0.811446 0.635887 O\n0.818438 0.188554 0.135887 O\n0.815660 0.864699 0.317683 O\n0.684340 0.135301 0.817683 O\n0.315660 0.635301 0.682317 O\n0.184340 0.364699 0.182317 O\n0.868674 0.575731 0.226061 O\n0.631326 0.424269 0.726061 O\n0.368674 0.924269 0.773939 O\n0.131326 0.075731 0.273939 O\n0.786230 0.604447 0.459558 O\n0.713770 0.395553 0.959558 O\n0.286230 0.895553 0.540442 O\n0.213770 0.104447 0.040442 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"P",
"H",
"N",
"O"
],
"chemical_system": "H-N-O-P",
"density": 1.7761507590829069,
"density_atomic": 0.11515443292377915,
"volume": 486.30346724964085,
"volume_molar": 5.2296213068810475,
"formula_full": "P4 H28 N8 O16",
"formula_reduced": "PH7(NO2)2",
"formula_anonymous": "AB2C4D7",
"energy": -331.27275373,
"energy_per_atom": -5.915584888035714,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -317.39275373,
"band_gap": 5.4134,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:37:25.037000Z",
"spacegroup": 19
},
{
"id": "mp-1177747",
"created_at": "2022-09-04T14:39:58.849770Z",
"structure_string": "Li32 Mn13 Cr3 O48\n1.0\n-5.006190 0.000000 0.000000\n-0.003019 -8.694570 0.000000\n1.590674 2.852937 19.153429\nLi Mn Cr O\n32 13 3 48\ndirect\n0.992395 0.168273 0.249739 Li\n0.872711 0.374302 0.375164 Li\n0.751719 0.248361 0.000115 Li\n0.742123 0.920494 0.000018 Li\n0.990701 0.169225 0.750460 Li\n0.756535 0.580236 0.500047 Li\n0.877943 0.375500 0.874779 Li\n0.749173 0.251025 0.499790 Li\n0.743854 0.919240 0.500178 Li\n0.624913 0.124928 0.124942 Li\n0.756508 0.580759 0.999833 Li\n0.509272 0.330725 0.249444 Li\n0.627386 0.124295 0.624746 Li\n0.500011 0.999776 0.249892 Li\n0.489837 0.669050 0.249770 Li\n0.507764 0.333934 0.749963 Li\n0.374710 0.873868 0.374792 Li\n0.498412 0.998888 0.749779 Li\n0.250113 0.749917 0.000039 Li\n0.490639 0.667220 0.749303 Li\n0.241221 0.420005 0.000732 Li\n0.375990 0.875439 0.875273 Li\n0.255281 0.078999 0.499490 Li\n0.252555 0.750882 0.500235 Li\n0.124812 0.625183 0.125044 Li\n0.242006 0.420152 0.500383 Li\n0.009031 0.830523 0.250424 Li\n0.258325 0.080289 0.999735 Li\n0.125499 0.624301 0.625272 Li\n0.998736 0.501847 0.249787 Li\n0.008344 0.832084 0.750380 Li\n0.003123 0.499373 0.750240 Li\n0.872985 0.709830 0.374499 Mn\n0.875667 0.041467 0.374972 Mn\n0.873556 0.708569 0.875077 Mn\n0.876953 0.040362 0.875694 Mn\n0.625509 0.791469 0.124846 Mn\n0.624578 0.458526 0.124836 Mn\n0.624925 0.791495 0.625181 Mn\n0.626571 0.460190 0.625770 Mn\n0.376287 0.207184 0.375592 Mn\n0.373271 0.542471 0.874284 Mn\n0.124690 0.958370 0.124921 Mn\n0.125498 0.291335 0.124907 Mn\n0.122758 0.956933 0.624522 Mn\n0.370618 0.539328 0.375038 Cr\n0.379716 0.210248 0.874805 Cr\n0.131412 0.289453 0.625073 Cr\n0.964545 0.106418 0.069327 O\n0.928417 0.785267 0.069037 O\n0.928045 0.427345 0.068131 O\n0.961975 0.102022 0.568528 O\n0.821875 0.964550 0.180808 O\n0.822107 0.322733 0.181731 O\n0.928425 0.784033 0.569286 O\n0.927776 0.426543 0.568350 O\n0.785208 0.643455 0.180495 O\n0.712478 0.857578 0.319220 O\n0.820713 0.964963 0.680949 O\n0.821845 0.323453 0.681718 O\n0.677030 0.536521 0.319199 O\n0.678348 0.177664 0.318278 O\n0.787648 0.644633 0.680895 O\n0.714451 0.856526 0.819428 O\n0.463914 0.606284 0.069050 O\n0.572741 0.714263 0.431027 O\n0.571726 0.071423 0.431679 O\n0.677996 0.535166 0.819425 O\n0.674591 0.176034 0.818197 O\n0.427995 0.927450 0.068287 O\n0.428174 0.285198 0.069053 O\n0.537766 0.389833 0.431489 O\n0.464177 0.607070 0.569345 O\n0.571500 0.714527 0.930841 O\n0.577242 0.070255 0.932606 O\n0.322221 0.822557 0.181555 O\n0.321896 0.464574 0.180804 O\n0.427786 0.927828 0.568514 O\n0.424567 0.287172 0.569507 O\n0.531206 0.392349 0.930612 O\n0.285971 0.143630 0.180776 O\n0.217986 0.356937 0.319500 O\n0.322209 0.822247 0.681828 O\n0.327198 0.467983 0.681610 O\n0.173048 0.679749 0.317492 O\n0.177839 0.035029 0.319113 O\n0.281339 0.144015 0.680695 O\n0.211372 0.360153 0.818079 O\n0.076037 0.574796 0.431571 O\n0.071733 0.215004 0.430824 O\n0.177875 0.678809 0.818393 O\n0.177832 0.036329 0.819021 O\n0.036218 0.893918 0.430548 O\n0.071328 0.572261 0.931719 O\n0.071585 0.214246 0.930789 O\n0.037414 0.892883 0.930862 O\n",
"nsites": 96,
"nelements": 4,
"elements": [
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"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 3.7052899034317837,
"density_atomic": 0.11515141001064268,
"volume": 833.6849717352776,
"volume_molar": 5.229758593006732,
"formula_full": "Li32 Mn13 Cr3 O48",
"formula_reduced": "Li32Mn13Cr3O48",
"formula_anonymous": "A3B13C32D48",
"energy": -657.80374398,
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"updated_at": "2021-11-28T01:34:42.761000Z",
"spacegroup": 1
},
{
"id": "mp-764661",
"created_at": "2022-09-04T14:39:23.821781Z",
"structure_string": "Li6 Co2 Ni6 O16\n1.0\n2.866126 -4.943417 0.017535\n-5.697130 0.020368 -0.006899\n0.007047 -0.003745 -9.270061\nLi Co Ni O\n6 2 6 16\ndirect\n0.162098 0.828849 0.051928 Li\n0.668849 0.838556 0.051511 Li\n0.172007 0.333587 0.052019 Li\n0.838629 0.663714 0.551830 Li\n0.336103 0.174435 0.551564 Li\n0.825498 0.161198 0.551222 Li\n0.332440 0.666665 0.513554 Co\n0.666792 0.334008 0.013023 Co\n0.163639 0.825039 0.786070 Ni\n0.660569 0.837473 0.785286 Ni\n0.172982 0.337076 0.786369 Ni\n0.835078 0.660391 0.286525 Ni\n0.339964 0.174481 0.286447 Ni\n0.824992 0.165026 0.286318 Ni\n0.152246 0.822340 0.412098 O\n0.462045 0.963323 0.649165 O\n0.666566 0.846888 0.412528 O\n0.330802 0.663506 0.891315 O\n0.038451 0.499274 0.647618 O\n0.502060 0.541581 0.649936 O\n0.845803 0.665564 0.911742 O\n0.178512 0.334580 0.412059 O\n0.538180 0.500370 0.149041 O\n0.666723 0.335462 0.395580 O\n0.999602 0.998151 0.187420 O\n0.962942 0.463598 0.148614 O\n0.000948 0.000790 0.686435 O\n0.330090 0.177482 0.913978 O\n0.503709 0.038717 0.147383 O\n0.821857 0.147872 0.911538 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Li",
"Co",
"Ni",
"O"
],
"chemical_system": "Co-Li-Ni-O",
"density": 4.892762046121077,
"density_atomic": 0.11514777108347157,
"volume": 260.5347868892117,
"volume_molar": 5.229923865078119,
"formula_full": "Li6 Co2 Ni6 O16",
"formula_reduced": "Li3CoNi3O8",
"formula_anonymous": "AB3C3D8",
"energy": -180.72960063,
"energy_per_atom": -6.024320020999999,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:32.713000Z",
"spacegroup": 159
},
{
"id": "mp-760335",
"created_at": "2022-09-04T14:44:16.102734Z",
"structure_string": "Li3 Fe1 O4\n1.0\n5.023710 0.041090 0.016177\n8.486850 5.659917 0.056402\n8.482891 4.154173 2.522478\nLi Fe O\n3 1 4\ndirect\n0.004469 0.993914 0.003658 Li\n0.988540 0.493220 0.009718 Li\n0.503133 0.995535 0.501160 Li\n0.504881 0.492716 0.504934 Fe\n0.274745 0.991576 0.235664 O\n0.191014 0.490700 0.277982 O\n0.733862 0.993766 0.774623 O\n0.821624 0.495798 0.729178 O\n",
"nsites": 8,
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"elements": [
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"O"
],
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"density": 3.361833400040883,
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"volume": 69.4801604754978,
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"formula_full": "Li3 Fe1 O4",
"formula_reduced": "Li3FeO4",
"formula_anonymous": "AB3C4",
"energy": -48.0981804,
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"updated_at": "2021-11-28T01:36:25.569000Z",
"spacegroup": 65
},
{
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