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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=11471",
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"results": [
{
"id": "mp-771252",
"created_at": "2022-09-04T14:40:24.762120Z",
"structure_string": "Li2 Mn2 H8 S4 O20\n1.0\n12.844860 0.000000 0.000000\n0.000000 5.334009 0.000000\n0.000000 1.006735 5.450525\nLi Mn H S O\n2 2 8 4 20\ndirect\n0.616374 0.010490 0.417466 Li\n0.116374 0.989510 0.582534 Li\n0.497634 0.745056 0.005147 Mn\n0.997634 0.254944 0.994853 Mn\n0.703862 0.759993 0.096982 H\n0.798682 0.258271 0.087786 H\n0.650683 0.570239 0.317957 H\n0.853320 0.073366 0.313136 H\n0.150683 0.429761 0.682043 H\n0.353320 0.926634 0.686864 H\n0.203862 0.240007 0.903018 H\n0.298682 0.741729 0.912214 H\n0.115933 0.683087 0.226122 S\n0.381021 0.181449 0.228488 S\n0.615933 0.316913 0.773878 S\n0.881021 0.818551 0.771512 S\n0.673318 0.264762 0.007243 O\n0.822377 0.774022 0.001032 O\n0.458369 0.387895 0.235184 O\n0.637713 0.733684 0.197986 O\n0.059440 0.428149 0.246531 O\n0.040790 0.894290 0.239413 O\n0.865104 0.227696 0.181419 O\n0.448706 0.935649 0.248043 O\n0.181990 0.659675 0.447204 O\n0.681990 0.340325 0.552796 O\n0.314494 0.137989 0.446448 O\n0.814494 0.862011 0.553552 O\n0.559440 0.571851 0.753469 O\n0.137713 0.266316 0.802014 O\n0.958369 0.612105 0.764816 O\n0.948706 0.064351 0.751957 O\n0.365104 0.772304 0.818581 O\n0.540790 0.105710 0.760587 O\n0.173318 0.735238 0.992757 O\n0.322377 0.225978 0.998968 O\n",
"nsites": 36,
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"elements": [
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"Mn",
"H",
"S",
"O"
],
"chemical_system": "H-Li-Mn-O-S",
"density": 2.579335025014646,
"density_atomic": 0.09640089046474136,
"volume": 373.44053386277596,
"volume_molar": 6.246976278919955,
"formula_full": "Li2 Mn2 H8 S4 O20",
"formula_reduced": "LiMnH4(SO5)2",
"formula_anonymous": "ABC2D4E10",
"energy": -227.52557604,
"energy_per_atom": -6.32015489,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -210.44957604,
"band_gap": 0.7347,
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"is_magnetic": true,
"total_magnetization": 7.9990601,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.497000Z",
"spacegroup": 4
},
{
"id": "mp-772713",
"created_at": "2022-09-04T14:40:24.748718Z",
"structure_string": "Na6 Si2 Sb2 C2 O14\n1.0\n7.072280 0.000000 0.000000\n0.000000 5.122071 0.000000\n0.000000 0.172970 9.487071\nNa Si Sb C O\n6 2 2 2 14\ndirect\n0.250000 0.779115 0.911064 Na\n0.006920 0.251935 0.750086 Na\n0.493080 0.251935 0.750086 Na\n0.506920 0.748065 0.249914 Na\n0.993080 0.748065 0.249914 Na\n0.750000 0.220885 0.088936 Na\n0.250000 0.716565 0.593255 Si\n0.750000 0.283435 0.406745 Si\n0.750000 0.766196 0.633793 Sb\n0.250000 0.233804 0.366207 Sb\n0.750000 0.725245 0.950389 C\n0.250000 0.274755 0.049611 C\n0.250000 0.258821 0.912817 O\n0.750000 0.942691 0.874242 O\n0.750000 0.499767 0.891086 O\n0.063553 0.809157 0.682841 O\n0.436447 0.809157 0.682841 O\n0.250000 0.392722 0.581668 O\n0.750000 0.157938 0.572274 O\n0.250000 0.842062 0.427726 O\n0.750000 0.607278 0.418332 O\n0.563553 0.190843 0.317159 O\n0.936447 0.190843 0.317159 O\n0.250000 0.500233 0.108914 O\n0.250000 0.057309 0.125758 O\n0.750000 0.741179 0.087183 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Na",
"Si",
"Sb",
"C",
"O"
],
"chemical_system": "C-Na-O-Sb-Si",
"density": 3.312910542768179,
"density_atomic": 0.07565474232149266,
"volume": 343.66649336420636,
"volume_molar": 7.960030759749449,
"formula_full": "Na6 Si2 Sb2 C2 O14",
"formula_reduced": "Na3SiSbCO7",
"formula_anonymous": "ABCD3E7",
"energy": -173.78734427,
"energy_per_atom": -6.684128625769231,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -164.16934427,
"band_gap": 3.008,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.68e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.042000Z",
"spacegroup": 11
},
{
"id": "mp-1177646",
"created_at": "2022-09-04T14:40:24.703957Z",
"structure_string": "Li6 Mn4 P4 C4 O28\n1.0\n8.204131 0.000000 0.000000\n-1.985945 7.994144 0.000000\n-2.703790 -3.630420 8.417706\nLi Mn P C O\n6 4 4 4 28\ndirect\n0.220149 0.271002 0.264488 Li\n0.490807 0.984400 0.243003 Li\n0.729742 0.723000 0.224448 Li\n0.467769 0.036391 0.727262 Li\n0.778999 0.776984 0.766191 Li\n0.028129 0.519237 0.779372 Li\n0.693875 0.438395 0.337888 Mn\n0.183747 0.930886 0.336610 Mn\n0.817619 0.068304 0.666542 Mn\n0.308258 0.554847 0.657980 Mn\n0.940697 0.202109 0.419338 P\n0.461089 0.698569 0.426703 P\n0.055222 0.795196 0.579100 P\n0.544206 0.303465 0.573129 P\n0.513924 0.253715 0.057165 C\n0.004299 0.764380 0.052659 C\n0.997113 0.243773 0.948251 C\n0.481345 0.734043 0.942573 C\n0.165092 0.896317 0.117618 O\n0.653032 0.406987 0.113513 O\n0.100121 0.323037 0.089515 O\n0.475413 0.223905 0.176288 O\n0.571407 0.823159 0.088872 O\n0.946096 0.734375 0.159736 O\n0.041935 0.116706 0.324913 O\n0.556632 0.601030 0.326809 O\n0.370357 0.793610 0.330949 O\n0.823331 0.275831 0.314286 O\n0.402088 0.163309 0.407250 O\n0.323979 0.552547 0.454001 O\n0.811705 0.059183 0.453983 O\n0.911018 0.653374 0.413911 O\n0.075390 0.356356 0.582522 O\n0.196514 0.927054 0.544819 O\n0.688919 0.440418 0.544244 O\n0.600035 0.837767 0.594615 O\n0.158717 0.705981 0.678195 O\n0.455660 0.408699 0.673585 O\n0.631145 0.207767 0.670775 O\n0.967185 0.892567 0.680828 O\n0.015083 0.298872 0.834748 O\n0.431628 0.148025 0.916565 O\n0.528544 0.768748 0.830591 O\n0.920775 0.678653 0.905052 O\n0.854963 0.089481 0.887127 O\n0.330060 0.593726 0.881983 O\n",
"nsites": 46,
"nelements": 5,
"elements": [
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-O-P",
"density": 2.650843178846821,
"density_atomic": 0.08332196912150366,
"volume": 552.0752868060623,
"volume_molar": 7.227554537529301,
"formula_full": "Li6 Mn4 P4 C4 O28",
"formula_reduced": "Li3Mn2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E14",
"energy": -349.52633409000003,
"energy_per_atom": -7.598398567173914,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -323.61833409,
"band_gap": 0.6622,
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"is_magnetic": true,
"total_magnetization": 14.0028298,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.930000Z",
"spacegroup": 1
},
{
"id": "mp-1076543",
"created_at": "2022-09-04T14:40:24.700707Z",
"structure_string": "Ca7 Mg1 Ti1 Mn7 O24\n1.0\n5.384399 -5.385041 0.000000\n5.384399 5.385041 0.000000\n-0.001284 0.000000 7.615144\nCa Mg Ti Mn O\n7 1 1 7 24\ndirect\n0.750858 0.249113 0.750858 Ca\n0.750836 0.249168 0.249168 Ca\n0.750858 0.750858 0.249113 Ca\n0.249168 0.249168 0.750836 Ca\n0.249175 0.249175 0.249175 Ca\n0.249113 0.750858 0.750858 Ca\n0.249168 0.750836 0.249168 Ca\n0.750913 0.750913 0.750913 Mg\n0.500595 0.500595 0.500595 Ti\n0.500373 0.999663 0.999663 Mn\n0.500301 0.999825 0.500301 Mn\n0.500301 0.500301 0.999825 Mn\n0.999652 0.999652 0.999652 Mn\n0.999663 0.999663 0.500373 Mn\n0.999663 0.500373 0.999663 Mn\n0.999825 0.500301 0.500301 Mn\n0.750082 0.998968 0.998968 O\n0.750235 0.998861 0.501079 O\n0.750235 0.501079 0.998861 O\n0.752901 0.500807 0.500807 O\n0.249923 0.999943 0.999943 O\n0.249726 0.999958 0.500064 O\n0.249726 0.500064 0.999958 O\n0.247195 0.500078 0.500078 O\n0.500064 0.249726 0.999958 O\n0.500078 0.247195 0.500078 O\n0.501079 0.750235 0.998861 O\n0.500807 0.752901 0.500807 O\n0.999943 0.249923 0.999943 O\n0.999958 0.249726 0.500064 O\n0.998968 0.750082 0.998968 O\n0.998861 0.750235 0.501079 O\n0.501079 0.998861 0.750235 O\n0.500064 0.999958 0.249726 O\n0.500807 0.500807 0.752901 O\n0.500078 0.500078 0.247195 O\n0.998968 0.998968 0.750082 O\n0.999943 0.999943 0.249923 O\n0.998861 0.501079 0.750235 O\n0.999958 0.500064 0.249726 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ca",
"Mg",
"Ti",
"Mn",
"O"
],
"chemical_system": "Ca-Mg-Mn-O-Ti",
"density": 4.216235903644461,
"density_atomic": 0.09057860469889534,
"volume": 441.6053894070177,
"volume_molar": 6.648524538459184,
"formula_full": "Ca7 Mg1 Ti1 Mn7 O24",
"formula_reduced": "Ca7MgTiMn7O24",
"formula_anonymous": "ABC7D7E24",
"energy": -306.08926133,
"energy_per_atom": -7.65223153325,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -277.92526133,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.607000Z",
"spacegroup": 160
},
{
"id": "mp-778734",
"created_at": "2022-09-04T14:40:23.410085Z",
"structure_string": "Li6 Fe3 Sn1 P6 O24\n1.0\n8.587675 0.000000 0.000000\n4.053270 7.637608 0.000000\n4.056970 2.482395 7.233310\nLi Fe Sn P O\n6 3 1 6 24\ndirect\n0.977111 0.998643 0.991746 Li\n0.253847 0.648267 0.851237 Li\n0.519438 0.502612 0.496470 Li\n0.706922 0.352655 0.160878 Li\n0.356802 0.161298 0.705295 Li\n0.160749 0.703960 0.356803 Li\n0.853466 0.860491 0.856241 Fe\n0.647565 0.643504 0.638897 Fe\n0.350841 0.347046 0.354254 Fe\n0.145334 0.146297 0.150227 Sn\n0.253057 0.946397 0.557547 P\n0.945022 0.558258 0.254051 P\n0.558728 0.251666 0.946187 P\n0.752454 0.040284 0.461258 P\n0.453902 0.749267 0.039296 P\n0.046111 0.462684 0.755096 P\n0.874638 0.508123 0.709396 O\n0.694420 0.881939 0.495132 O\n0.941576 0.736804 0.083434 O\n0.464283 0.699329 0.885065 O\n0.982247 0.391625 0.199078 O\n0.755596 0.571997 0.409584 O\n0.743405 0.091686 0.923154 O\n0.553668 0.419153 0.764551 O\n0.827822 0.994935 0.610411 O\n0.405804 0.753520 0.575411 O\n0.905535 0.069295 0.261147 O\n0.616663 0.813288 0.981858 O\n0.392556 0.192163 0.985684 O\n0.095846 0.922403 0.746757 O\n0.594447 0.230196 0.446357 O\n0.195045 0.983021 0.394398 O\n0.445702 0.589953 0.227640 O\n0.257219 0.905844 0.076147 O\n0.232132 0.440213 0.593757 O\n0.026816 0.609934 0.819750 O\n0.532670 0.306272 0.103126 O\n0.067479 0.263595 0.910631 O\n0.312812 0.100782 0.528662 O\n0.100271 0.527605 0.316387 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Li",
"Fe",
"Sn",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P-Sn",
"density": 3.142096759551342,
"density_atomic": 0.08431210812593472,
"volume": 474.42770545190353,
"volume_molar": 7.142676056687956,
"formula_full": "Li6 Fe3 Sn1 P6 O24",
"formula_reduced": "Li6Fe3Sn(PO4)6",
"formula_anonymous": "AB3C6D6E24",
"energy": -291.24484322,
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"updated_at": "2021-11-28T01:34:54.414000Z",
"spacegroup": 1
},
{
"id": "mp-760796",
"created_at": "2022-09-04T14:40:22.994382Z",
"structure_string": "Li7 Cr1 Fe3 P6 O24\n1.0\n7.594571 -4.415617 0.000000\n7.594571 4.415617 0.000000\n5.027254 0.000000 7.204297\nLi Cr Fe P O\n7 1 3 6 24\ndirect\n0.706396 0.345727 0.163823 Li\n0.163823 0.706396 0.345727 Li\n0.345727 0.163823 0.706396 Li\n0.520502 0.520502 0.520502 Li\n0.755475 0.939516 0.197446 Li\n0.939516 0.197446 0.755475 Li\n0.197446 0.755475 0.939516 Li\n0.855322 0.855322 0.855322 Cr\n0.348287 0.348287 0.348287 Fe\n0.146037 0.146037 0.146037 Fe\n0.646744 0.646744 0.646744 Fe\n0.461873 0.749439 0.042705 P\n0.749439 0.042705 0.461873 P\n0.042705 0.461873 0.749439 P\n0.953807 0.546562 0.247853 P\n0.247853 0.953807 0.546562 P\n0.546562 0.247853 0.953807 P\n0.264651 0.896458 0.092749 O\n0.621838 0.802904 0.999003 O\n0.461860 0.570608 0.214523 O\n0.723834 0.872832 0.471189 O\n0.896458 0.092749 0.264651 O\n0.570608 0.214523 0.461860 O\n0.872832 0.471189 0.723834 O\n0.214523 0.461860 0.570608 O\n0.994508 0.385940 0.193633 O\n0.929963 0.737550 0.084188 O\n0.471189 0.723834 0.872832 O\n0.193633 0.994508 0.385940 O\n0.802904 0.999003 0.621838 O\n0.535404 0.280916 0.115516 O\n0.092749 0.264651 0.896458 O\n0.999003 0.621838 0.802904 O\n0.771168 0.562899 0.415707 O\n0.115516 0.535404 0.280916 O\n0.415707 0.771168 0.562899 O\n0.084188 0.929963 0.737550 O\n0.280916 0.115516 0.535404 O\n0.385940 0.193633 0.994508 O\n0.562899 0.415707 0.771168 O\n0.737550 0.084188 0.929963 O\n",
"nsites": 41,
"nelements": 5,
"elements": [
"Li",
"Cr",
"Fe",
"P",
"O"
],
"chemical_system": "Cr-Fe-Li-O-P",
"density": 2.879711781442593,
"density_atomic": 0.08485307967154465,
"volume": 483.1881194967316,
"volume_molar": 7.097138705290288,
"formula_full": "Li7 Cr1 Fe3 P6 O24",
"formula_reduced": "Li7CrFe3(PO4)6",
"formula_anonymous": "AB3C6D7E24",
"energy": -302.75447129,
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"updated_at": "2021-11-28T01:34:55.646000Z",
"spacegroup": 146
},
{
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