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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=11467",
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"results": [
{
"id": "mp-763698",
"created_at": "2022-09-04T14:43:13.418240Z",
"structure_string": "Li4 Nb3 V3 Co2 O16\n1.0\n3.014785 5.263153 0.000000\n-3.014785 5.263153 0.000000\n0.000000 0.001839 9.787387\nLi Nb V Co O\n4 3 3 2 16\ndirect\n0.664375 0.664375 0.100284 Li\n0.007519 0.007519 0.999578 Li\n0.012314 0.012314 0.507733 Li\n0.332879 0.332879 0.615420 Li\n0.828857 0.828857 0.781813 Nb\n0.164694 0.659075 0.284334 Nb\n0.659075 0.164694 0.284334 Nb\n0.342561 0.824292 0.785577 V\n0.824292 0.342561 0.785577 V\n0.169129 0.169129 0.288283 V\n0.657233 0.657233 0.518879 Co\n0.330106 0.330106 0.981123 Co\n0.316493 0.840528 0.393438 O\n0.516288 0.516288 0.669139 O\n0.675962 0.675962 0.902854 O\n0.995525 0.995525 0.687090 O\n0.998579 0.998579 0.179312 O\n0.840528 0.316493 0.393438 O\n0.518677 0.966166 0.663827 O\n0.966166 0.518677 0.663827 O\n0.159018 0.159018 0.890323 O\n0.842409 0.842409 0.401529 O\n0.029733 0.488232 0.173020 O\n0.488232 0.029733 0.173020 O\n0.338817 0.338817 0.403849 O\n0.158495 0.681335 0.897866 O\n0.485659 0.485659 0.167457 O\n0.681335 0.158495 0.897866 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Nb",
"V",
"Co",
"O"
],
"chemical_system": "Co-Li-Nb-O-V",
"density": 4.454312889186972,
"density_atomic": 0.09014858904586381,
"volume": 310.5983165832443,
"volume_molar": 6.680238508154783,
"formula_full": "Li4 Nb3 V3 Co2 O16",
"formula_reduced": "Li4Nb3V3(CoO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -227.51001559,
"energy_per_atom": -8.125357699642857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -208.14201559,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.5538488,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.241000Z",
"spacegroup": 8
},
{
"id": "mp-775013",
"created_at": "2022-09-04T14:43:13.514098Z",
"structure_string": "Li4 Mn3 Fe3 Sb2 O16\n1.0\n2.999503 5.207412 0.000000\n-2.999503 5.207412 0.000000\n0.000000 0.128277 9.800319\nLi Mn Fe Sb O\n4 3 3 2 16\ndirect\n0.667639 0.667639 0.094652 Li\n0.998716 0.998716 0.012032 Li\n0.999422 0.999422 0.512533 Li\n0.333853 0.333853 0.596437 Li\n0.829776 0.829776 0.789472 Mn\n0.170624 0.661473 0.288450 Mn\n0.661473 0.170624 0.288450 Mn\n0.339400 0.831530 0.786205 Fe\n0.831530 0.339400 0.786205 Fe\n0.170172 0.170172 0.284848 Fe\n0.666331 0.666331 0.515292 Sb\n0.334058 0.334058 0.014265 Sb\n0.335317 0.838139 0.405767 O\n0.516967 0.516967 0.654076 O\n0.670024 0.670024 0.889410 O\n0.994673 0.994673 0.699671 O\n0.995301 0.995301 0.201049 O\n0.838139 0.335317 0.405767 O\n0.509453 0.963607 0.651251 O\n0.963607 0.509453 0.651251 O\n0.167741 0.167741 0.904377 O\n0.833414 0.833414 0.410355 O\n0.035150 0.476140 0.152243 O\n0.476140 0.035150 0.152243 O\n0.339179 0.339179 0.385708 O\n0.171590 0.665545 0.906248 O\n0.483082 0.483082 0.147698 O\n0.665545 0.171590 0.906248 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Fe",
"Sb",
"O"
],
"chemical_system": "Fe-Li-Mn-O-Sb",
"density": 4.662468885815705,
"density_atomic": 0.0914569224791827,
"volume": 306.1550644935961,
"volume_molar": 6.5846746170261214,
"formula_full": "Li4 Mn3 Fe3 Sb2 O16",
"formula_reduced": "Li4Mn3Fe3(SbO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -204.39526287,
"energy_per_atom": -7.299830816785715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -181.63126287,
"band_gap": 0.2783000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 27.0011471,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.790000Z",
"spacegroup": 8
},
{
"id": "mp-769581",
"created_at": "2022-09-04T14:43:00.267674Z",
"structure_string": "Li4 Mn3 Cr2 Co3 O16\n1.0\n2.901981 4.993671 0.000000\n-2.901981 4.993671 0.000000\n0.000000 0.077193 9.484235\nLi Mn Cr Co O\n4 3 2 3 16\ndirect\n0.332766 0.332766 0.105409 Li\n0.997393 0.997393 0.001176 Li\n0.996054 0.996054 0.504673 Li\n0.667291 0.667291 0.610335 Li\n0.170428 0.170428 0.785223 Mn\n0.832382 0.339417 0.285128 Mn\n0.339417 0.832382 0.285128 Mn\n0.338063 0.338063 0.516324 Cr\n0.668796 0.668796 0.013967 Cr\n0.662642 0.170650 0.787446 Co\n0.170650 0.662642 0.787446 Co\n0.833137 0.833137 0.288709 Co\n0.674545 0.169802 0.398658 O\n0.482271 0.482271 0.663702 O\n0.334726 0.334726 0.889661 O\n0.999970 0.999970 0.692976 O\n0.000204 0.000204 0.190157 O\n0.169802 0.674545 0.398658 O\n0.481832 0.038321 0.665021 O\n0.038321 0.481832 0.665021 O\n0.836579 0.836579 0.894994 O\n0.161586 0.161586 0.397111 O\n0.963242 0.512831 0.158495 O\n0.512831 0.963242 0.158495 O\n0.667219 0.667219 0.390356 O\n0.837642 0.323496 0.896296 O\n0.518768 0.518768 0.164456 O\n0.323496 0.837642 0.896296 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Cr",
"Co",
"O"
],
"chemical_system": "Co-Cr-Li-Mn-O",
"density": 4.4059994329926,
"density_atomic": 0.10186177470247759,
"volume": 274.88231067820726,
"volume_molar": 5.9120713119221975,
"formula_full": "Li4 Mn3 Cr2 Co3 O16",
"formula_reduced": "Li4Mn3Cr2Co3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -208.12048959,
"energy_per_atom": -7.432874628214286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -183.21248959,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.000027,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.552000Z",
"spacegroup": 8
},
{
"id": "mp-754687",
"created_at": "2022-09-04T14:43:14.035054Z",
"structure_string": "Li4 Mn3 Co2 Sb3 O16\n1.0\n3.048397 5.376703 0.000000\n-3.048397 5.376703 0.000000\n0.000000 0.136752 9.813941\nLi Mn Co Sb O\n4 3 2 3 16\ndirect\n0.662993 0.662993 0.124254 Li\n0.987259 0.987259 0.007285 Li\n0.995258 0.995258 0.493856 Li\n0.326567 0.326567 0.603275 Li\n0.831632 0.831632 0.783039 Mn\n0.169189 0.663291 0.284926 Mn\n0.663291 0.169189 0.284926 Mn\n0.673027 0.673027 0.488470 Co\n0.343111 0.343111 0.018627 Co\n0.337956 0.831125 0.784789 Sb\n0.831125 0.337956 0.784789 Sb\n0.171914 0.171914 0.284937 Sb\n0.320619 0.849088 0.398308 O\n0.514001 0.514001 0.667839 O\n0.653009 0.653009 0.903344 O\n0.012303 0.012303 0.677518 O\n0.010708 0.010708 0.185278 O\n0.849088 0.320619 0.398308 O\n0.511519 0.963419 0.670273 O\n0.963419 0.511519 0.670273 O\n0.154238 0.154238 0.898305 O\n0.846505 0.846505 0.388662 O\n0.035134 0.481036 0.163257 O\n0.481036 0.035134 0.163257 O\n0.325327 0.325327 0.400774 O\n0.164083 0.687197 0.893678 O\n0.478277 0.478277 0.176293 O\n0.687197 0.164083 0.893678 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Co",
"Sb",
"O"
],
"chemical_system": "Co-Li-Mn-O-Sb",
"density": 4.809181175698775,
"density_atomic": 0.08703561851082794,
"volume": 321.7073708336613,
"volume_molar": 6.919168109606524,
"formula_full": "Li4 Mn3 Co2 Sb3 O16",
"formula_reduced": "Li4Mn3Co2Sb3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -195.13144029,
"energy_per_atom": -6.968980010357143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -175.85944029,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.447000Z",
"spacegroup": 8
},
{
"id": "mp-766080",
"created_at": "2022-09-04T14:42:44.414460Z",
"structure_string": "Li4 Mn2 Cr3 Sb3 O16\n1.0\n3.073684 5.283946 0.000000\n-3.073684 5.283946 0.000000\n0.000000 0.018439 10.019131\nLi Mn Cr Sb O\n4 2 3 3 16\ndirect\n0.328437 0.328437 0.099202 Li\n0.992021 0.992021 0.994188 Li\n0.990711 0.990711 0.509347 Li\n0.663091 0.663091 0.631017 Li\n0.345964 0.345964 0.520351 Mn\n0.673883 0.673883 0.983307 Mn\n0.663857 0.168838 0.785084 Cr\n0.168838 0.663857 0.785084 Cr\n0.832520 0.832520 0.283384 Cr\n0.169331 0.169331 0.784378 Sb\n0.832813 0.337397 0.283498 Sb\n0.337397 0.832813 0.283498 Sb\n0.694741 0.159965 0.391201 O\n0.483982 0.483982 0.672894 O\n0.331817 0.331817 0.893964 O\n0.001355 0.001355 0.686812 O\n0.000674 0.000674 0.180135 O\n0.159965 0.694741 0.391201 O\n0.479787 0.030242 0.669466 O\n0.030242 0.479787 0.669466 O\n0.845795 0.845795 0.891997 O\n0.154672 0.154672 0.394768 O\n0.968438 0.510714 0.173901 O\n0.510714 0.968438 0.173901 O\n0.666631 0.666631 0.394254 O\n0.852660 0.307831 0.896658 O\n0.512079 0.512079 0.172549 O\n0.307831 0.852660 0.896658 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Cr",
"Sb",
"O"
],
"chemical_system": "Cr-Li-Mn-O-Sb",
"density": 4.668146886152844,
"density_atomic": 0.08603603619385343,
"volume": 325.445025581041,
"volume_molar": 6.999556263181535,
"formula_full": "Li4 Mn2 Cr3 Sb3 O16",
"formula_reduced": "Li4Mn2Cr3Sb3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -207.16372322,
"energy_per_atom": -7.398704400714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -186.83872322,
"band_gap": 0.1230000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.0072539,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.120000Z",
"spacegroup": 8
},
{
"id": "mp-756676",
"created_at": "2022-09-04T14:42:43.290798Z",
"structure_string": "Li4 Mn3 V2 Co3 O16\n1.0\n2.923130 5.073771 0.000000\n-2.923130 5.073771 0.000000\n0.000000 0.121028 9.494820\nLi Mn V Co O\n4 3 2 3 16\ndirect\n0.668998 0.668998 0.897321 Li\n0.996936 0.996936 0.999163 Li\n0.002507 0.002507 0.488379 Li\n0.334789 0.334789 0.400837 Li\n0.823812 0.823812 0.217772 Mn\n0.662582 0.169934 0.715831 Mn\n0.169934 0.662582 0.715831 Mn\n0.659650 0.659650 0.483135 V\n0.327391 0.327391 0.996769 V\n0.825442 0.340986 0.212933 Co\n0.340986 0.825442 0.212933 Co\n0.169751 0.169751 0.710671 Co\n0.833015 0.330625 0.599843 O\n0.522590 0.522590 0.363580 O\n0.670510 0.670510 0.106334 O\n0.992945 0.992945 0.298961 O\n0.002385 0.002385 0.808321 O\n0.330625 0.833015 0.599843 O\n0.965196 0.535156 0.347121 O\n0.535156 0.965196 0.347121 O\n0.171440 0.171440 0.079561 O\n0.839349 0.839349 0.603998 O\n0.488209 0.042282 0.840027 O\n0.042282 0.488209 0.840027 O\n0.335263 0.335263 0.611890 O\n0.646812 0.160086 0.086834 O\n0.480866 0.480866 0.835634 O\n0.160086 0.646812 0.086834 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O-V",
"density": 4.287832114431285,
"density_atomic": 0.09941737863583625,
"volume": 281.64090005393734,
"volume_molar": 6.057432656778222,
"formula_full": "Li4 Mn3 V2 Co3 O16",
"formula_reduced": "Li4Mn3V2Co3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -208.890369,
"energy_per_atom": -7.460370321428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -184.580369,
"band_gap": 0.3603,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9996951,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.616000Z",
"spacegroup": 8
},
{
"id": "mp-774451",
"created_at": "2022-09-04T14:42:40.944828Z",
"structure_string": "Li4 Mn3 Fe2 Co3 O16\n1.0\n5.747322 -0.007308 -0.001802\n-2.879989 5.003847 0.001961\n-0.002702 0.002777 9.447513\nLi Mn Fe Co O\n4 3 2 3 16\ndirect\n0.334860 0.668045 0.892633 Li\n0.005094 0.000419 0.998158 Li\n0.009890 0.006181 0.496560 Li\n0.665245 0.329655 0.388355 Li\n0.660993 0.830026 0.215209 Mn\n0.830299 0.662094 0.714883 Mn\n0.830473 0.169364 0.715118 Mn\n0.326801 0.665182 0.490945 Fe\n0.662315 0.335057 0.993764 Fe\n0.168924 0.829540 0.214243 Co\n0.168647 0.336833 0.213115 Co\n0.339801 0.170443 0.714440 Co\n0.160017 0.836070 0.602031 O\n0.036447 0.513389 0.328560 O\n0.332610 0.665989 0.108763 O\n0.001437 0.000163 0.309138 O\n0.001116 0.000505 0.811070 O\n0.159725 0.324894 0.601852 O\n0.481175 0.962267 0.335550 O\n0.477318 0.512795 0.332981 O\n0.320097 0.165163 0.107507 O\n0.676980 0.838912 0.601762 O\n0.517569 0.482547 0.835292 O\n0.518823 0.036268 0.836591 O\n0.667760 0.334662 0.607210 O\n0.837149 0.677401 0.102505 O\n0.965723 0.482946 0.834878 O\n0.842712 0.163490 0.104726 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-Li-Mn-O",
"density": 4.507978143346191,
"density_atomic": 0.10313094577741637,
"volume": 271.499497933737,
"volume_molar": 5.8393149743796195,
"formula_full": "Li4 Mn3 Fe2 Co3 O16",
"formula_reduced": "Li4Mn3Fe2Co3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -201.41945264,
"energy_per_atom": -7.19355188,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -175.99745264,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.247000Z",
"spacegroup": 8
},
{
"id": "mp-774751",
"created_at": "2022-09-04T14:42:41.221397Z",
"structure_string": "Li8 Ti4 Nb6 Ni6 O32\n1.0\n-2.991039 5.180669 0.000022\n-0.068901 -0.039721 9.788582\n9.107585 5.258368 -0.085200\nLi Ti Nb Ni O\n8 4 6 6 32\ndirect\n0.500005 0.894895 0.165788 Li\n0.000005 0.894889 0.665784 Li\n0.499954 0.984001 0.485094 Li\n0.999955 0.984010 0.985129 Li\n0.500005 0.501097 0.491713 Li\n0.000002 0.501102 0.991719 Li\n0.000019 0.404899 0.334796 Li\n0.500019 0.404911 0.834799 Li\n0.500030 0.507764 0.169697 Ti\n0.000029 0.507754 0.669704 Ti\n0.999963 0.981689 0.358306 Ti\n0.499960 0.981710 0.858262 Ti\n0.000053 0.727544 0.177802 Nb\n0.500054 0.727525 0.677784 Nb\n0.748646 0.217884 0.091241 Nb\n0.248640 0.217891 0.591233 Nb\n0.251334 0.217879 0.091242 Nb\n0.751339 0.217884 0.591232 Nb\n0.244902 0.707728 0.415300 Ni\n0.744867 0.707784 0.915304 Ni\n0.755248 0.707699 0.415270 Ni\n0.255279 0.707746 0.915269 Ni\n0.999952 0.207997 0.829936 Ni\n0.499956 0.208013 0.329967 Ni\n0.499992 0.342264 0.014486 O\n0.999991 0.342249 0.514455 O\n0.499991 0.095140 0.163712 O\n0.999990 0.095125 0.663702 O\n0.499988 0.314406 0.494093 O\n0.999988 0.314384 0.994071 O\n0.000101 0.799765 0.004124 O\n0.500099 0.799763 0.504109 O\n0.999988 0.095075 0.164831 O\n0.499988 0.095072 0.664835 O\n0.500023 0.589734 0.326541 O\n0.000021 0.589743 0.826535 O\n0.000088 0.601653 0.322601 O\n0.500090 0.601667 0.822607 O\n0.000018 0.850769 0.478717 O\n0.500016 0.850794 0.978718 O\n0.745900 0.594437 0.090738 O\n0.245921 0.594410 0.590712 O\n0.254165 0.594445 0.090738 O\n0.754146 0.594421 0.590713 O\n0.725715 0.341973 0.234243 O\n0.225702 0.341995 0.734224 O\n0.274279 0.341976 0.234236 O\n0.774288 0.341998 0.734216 O\n0.220793 0.848755 0.256168 O\n0.720785 0.848749 0.756146 O\n0.779231 0.848736 0.256146 O\n0.279238 0.848729 0.756124 O\n0.243573 0.093810 0.421262 O\n0.743577 0.093779 0.921280 O\n0.756351 0.093800 0.421266 O\n0.256346 0.093770 0.921284 O\n",
"nsites": 56,
"nelements": 5,
"elements": [
"Li",
"Ti",
"Nb",
"Ni",
"O"
],
"chemical_system": "Li-Nb-Ni-O-Ti",
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}