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=is_magnetic&page=12155",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=12153",
"results": [
{
"id": "mp-755304",
"created_at": "2022-09-04T14:47:06.672159Z",
"structure_string": "Mn6 O5 F7\n1.0\n3.500743 4.525266 0.000000\n-3.500743 4.525266 0.000000\n0.000000 2.450943 6.743344\nMn O F\n6 5 7\ndirect\n0.332223 0.667777 0.000000 Mn\n0.004123 0.330609 0.845359 Mn\n0.312582 0.687418 0.500000 Mn\n0.993646 0.304346 0.330327 Mn\n0.695654 0.006354 0.669673 Mn\n0.669391 0.995877 0.154641 Mn\n0.220483 0.567082 0.801263 O\n0.895401 0.217882 0.131941 O\n0.782118 0.104599 0.868059 O\n0.432918 0.779517 0.198737 O\n0.019863 0.980137 0.500000 O\n0.333664 0.025542 0.819034 F\n0.614654 0.385346 0.500000 F\n0.579676 0.915576 0.460746 F\n0.084424 0.420324 0.539254 F\n0.691247 0.636525 0.830844 F\n0.363475 0.308753 0.169156 F\n0.974458 0.666336 0.180966 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.217261332059754,
"density_atomic": 0.08424863104396223,
"volume": 213.65332322856764,
"volume_molar": 7.148057701801178,
"formula_full": "Mn6 O5 F7",
"formula_reduced": "Mn6O5F7",
"formula_anonymous": "A5B6C7",
"energy": -136.97133977,
"energy_per_atom": -7.60951887611111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -120.29433977,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 25.0014916,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.700000Z",
"spacegroup": 5
},
{
"id": "mp-752964",
"created_at": "2022-09-04T14:47:06.677340Z",
"structure_string": "Li4 Fe3 Ni2 O10\n1.0\n5.099813 -0.064509 0.022313\n-0.837206 5.029390 -0.001351\n-2.494189 2.112061 7.025080\nLi Fe Ni O\n4 3 2 10\ndirect\n0.224987 0.487165 0.428739 Li\n0.503597 0.980334 0.508729 Li\n0.796817 0.510658 0.589247 Li\n0.618331 0.486741 0.225517 Li\n0.999873 0.500081 0.993487 Fe\n0.306734 0.997609 0.114010 Fe\n0.680506 0.997784 0.885523 Fe\n0.099916 0.007699 0.692413 Ni\n0.898077 0.000483 0.305803 Ni\n0.032249 0.236408 0.854335 O\n0.116696 0.794838 0.532079 O\n0.324862 0.786581 0.935688 O\n0.235015 0.258085 0.228856 O\n0.431921 0.211384 0.658265 O\n0.548048 0.762765 0.338482 O\n0.789509 0.768516 0.755136 O\n0.676666 0.223144 0.070941 O\n0.879069 0.228122 0.466314 O\n0.946196 0.754864 0.137358 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Ni",
"O"
],
"chemical_system": "Fe-Li-Ni-O",
"density": 4.359089495206928,
"density_atomic": 0.10551962663906096,
"volume": 180.0612891191432,
"volume_molar": 5.707128571065983,
"formula_full": "Li4 Fe3 Ni2 O10",
"formula_reduced": "Li4Fe3(NiO5)2",
"formula_anonymous": "A2B3C4D10",
"energy": -124.71510773999998,
"energy_per_atom": -6.563953038947368,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -105.99510774,
"band_gap": 0.2397999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9999738,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.940000Z",
"spacegroup": 1
},
{
"id": "mp-778446",
"created_at": "2022-09-04T14:47:06.686343Z",
"structure_string": "Cr8 P12 S48\n1.0\n11.625193 0.000000 0.000000\n0.000000 9.823458 0.000000\n0.000000 8.298087 17.383783\nCr P S\n8 12 48\ndirect\n0.777856 0.791014 0.101114 Cr\n0.268263 0.218316 0.210451 Cr\n0.768263 0.781684 0.289549 Cr\n0.277856 0.208986 0.398886 Cr\n0.722144 0.791014 0.601114 Cr\n0.231737 0.218316 0.710451 Cr\n0.731737 0.781684 0.789549 Cr\n0.222144 0.208986 0.898886 Cr\n0.237816 0.221464 0.053398 P\n0.690992 0.063975 0.135884 P\n0.864102 0.519569 0.252579 P\n0.364102 0.480431 0.247421 P\n0.190992 0.936025 0.364116 P\n0.737816 0.778536 0.446602 P\n0.262184 0.221464 0.553398 P\n0.809008 0.063975 0.635884 P\n0.635898 0.519569 0.752579 P\n0.135898 0.480431 0.747421 P\n0.309008 0.936025 0.864116 P\n0.762184 0.778536 0.946602 P\n0.671000 0.661587 0.046440 S\n0.126438 0.099444 0.019577 S\n0.622795 0.956108 0.073086 S\n0.155574 0.349069 0.098949 S\n0.686295 0.281431 0.089684 S\n0.941214 0.640198 0.145830 S\n0.350487 0.098553 0.140341 S\n0.430074 0.372151 0.184034 S\n0.851555 0.949119 0.163038 S\n0.370269 0.698033 0.202244 S\n0.699867 0.625724 0.227179 S\n0.610420 0.943483 0.241190 S\n0.110420 0.056517 0.258810 S\n0.199867 0.374276 0.272821 S\n0.870269 0.301967 0.297756 S\n0.930074 0.627849 0.315966 S\n0.351555 0.050881 0.336962 S\n0.441214 0.359802 0.354170 S\n0.850487 0.901447 0.359659 S\n0.186295 0.718569 0.410316 S\n0.655574 0.650931 0.401051 S\n0.122795 0.043892 0.426914 S\n0.171000 0.338413 0.453560 S\n0.626438 0.900556 0.480423 S\n0.373562 0.099444 0.519577 S\n0.829000 0.661587 0.546440 S\n0.877205 0.956108 0.573086 S\n0.344426 0.349069 0.598949 S\n0.813705 0.281431 0.589684 S\n0.149513 0.098553 0.640341 S\n0.558786 0.640198 0.645830 S\n0.648445 0.949119 0.663038 S\n0.069926 0.372151 0.684034 S\n0.129731 0.698033 0.702244 S\n0.800133 0.625724 0.727179 S\n0.889580 0.943483 0.741190 S\n0.389580 0.056517 0.758810 S\n0.300133 0.374276 0.772821 S\n0.629731 0.301967 0.797756 S\n0.148445 0.050881 0.836962 S\n0.569926 0.627849 0.815966 S\n0.649513 0.901447 0.859659 S\n0.058786 0.359802 0.854170 S\n0.313705 0.718569 0.910316 S\n0.844426 0.650931 0.901051 S\n0.377205 0.043892 0.926914 S\n0.873562 0.900556 0.980423 S\n0.329000 0.338413 0.953560 S\n",
"nsites": 68,
"nelements": 3,
"elements": [
"Cr",
"P",
"S"
],
"chemical_system": "Cr-P-S",
"density": 1.94623121035268,
"density_atomic": 0.03425311370481618,
"volume": 1985.220981251664,
"volume_molar": 17.581294395298297,
"formula_full": "Cr8 P12 S48",
"formula_reduced": "Cr2(PS4)3",
"formula_anonymous": "A2B3C12",
"energy": -378.45339757,
"energy_per_atom": -5.565491140735294,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -354.30939757,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0097452,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.448000Z",
"spacegroup": 14
},
{
"id": "mp-759435",
"created_at": "2022-09-04T14:47:06.790300Z",
"structure_string": "Li4 Cu4 P12 O36\n1.0\n8.262388 0.000000 0.000000\n0.000000 8.502115 0.000000\n0.000000 0.000000 9.133927\nLi Cu P O\n4 4 12 36\ndirect\n0.156755 0.130557 0.382248 Li\n0.343245 0.869443 0.882248 Li\n0.656755 0.369443 0.617752 Li\n0.843245 0.630557 0.117752 Li\n0.132593 0.853105 0.160028 Cu\n0.367407 0.146895 0.660028 Cu\n0.632593 0.646895 0.839972 Cu\n0.867407 0.353105 0.339972 Cu\n0.031718 0.320698 0.688227 P\n0.177766 0.478664 0.189282 P\n0.202838 0.812099 0.564834 P\n0.297162 0.187901 0.064834 P\n0.322234 0.521336 0.689282 P\n0.468282 0.679302 0.188227 P\n0.531718 0.179302 0.311773 P\n0.677766 0.021336 0.810718 P\n0.702838 0.687901 0.435166 P\n0.797162 0.312099 0.935166 P\n0.822234 0.978664 0.310718 P\n0.968282 0.820698 0.811773 P\n0.037136 0.770542 0.654256 O\n0.083873 0.617385 0.131724 O\n0.103197 0.869703 0.909520 O\n0.105135 0.385314 0.314332 O\n0.140291 0.192809 0.626265 O\n0.145360 0.466023 0.740181 O\n0.159058 0.864344 0.414102 O\n0.186730 0.088089 0.158465 O\n0.218994 0.363070 0.054645 O\n0.281006 0.636930 0.554645 O\n0.313270 0.911911 0.658465 O\n0.340942 0.135656 0.914102 O\n0.354640 0.533977 0.240181 O\n0.359709 0.807191 0.126265 O\n0.394865 0.614686 0.814332 O\n0.396803 0.130297 0.409520 O\n0.416127 0.382615 0.631724 O\n0.462864 0.229458 0.154256 O\n0.537136 0.729458 0.345744 O\n0.583873 0.882615 0.868276 O\n0.603198 0.630297 0.090480 O\n0.605135 0.114686 0.685668 O\n0.640291 0.307191 0.373735 O\n0.645360 0.033977 0.259819 O\n0.659058 0.635656 0.585898 O\n0.686730 0.411911 0.841535 O\n0.718994 0.136930 0.945355 O\n0.781006 0.863070 0.445355 O\n0.813270 0.588089 0.341535 O\n0.840942 0.364344 0.085898 O\n0.854640 0.966023 0.759819 O\n0.859709 0.692809 0.873735 O\n0.894865 0.885314 0.185668 O\n0.896802 0.369703 0.590480 O\n0.916127 0.117385 0.368276 O\n0.962864 0.270542 0.845744 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"Cu",
"P",
"O"
],
"chemical_system": "Cu-Li-O-P",
"density": 3.1821960512780065,
"density_atomic": 0.08727662229777775,
"volume": 641.6380300435376,
"volume_molar": 6.900061667663022,
"formula_full": "Li4 Cu4 P12 O36",
"formula_reduced": "LiCu(PO3)3",
"formula_anonymous": "ABC3D9",
"energy": -401.20493051000005,
"energy_per_atom": -7.164373759107144,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -376.47293051,
"band_gap": 0.3971,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0008939,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.401000Z",
"spacegroup": 19
},
{
"id": "mp-756863",
"created_at": "2022-09-04T14:47:06.941450Z",
"structure_string": "Li10 Mn6 V4 O20\n1.0\n-1.165995 5.121146 -0.118844\n-1.564492 -2.649372 7.260542\n10.398879 0.181602 0.242955\nLi Mn V O\n10 6 4 20\ndirect\n0.499979 0.499997 0.249997 Li\n0.499917 0.499971 0.749991 Li\n0.900577 0.397428 0.100407 Li\n0.900616 0.397526 0.600446 Li\n0.099337 0.602573 0.399613 Li\n0.099284 0.602490 0.899565 Li\n0.291189 0.776836 0.190424 Li\n0.291110 0.776925 0.690455 Li\n0.708904 0.223103 0.309547 Li\n0.708789 0.223063 0.809530 Li\n0.499985 0.999990 0.499900 Mn\n0.891029 0.900328 0.847164 Mn\n0.108939 0.099200 0.152620 Mn\n0.500370 0.000300 0.000158 Mn\n0.891734 0.900601 0.347248 Mn\n0.108690 0.099377 0.652906 Mn\n0.704933 0.687354 0.551680 V\n0.294921 0.312765 0.448248 V\n0.704870 0.687403 0.051713 V\n0.294854 0.312530 0.948227 V\n0.070323 0.832360 0.025039 O\n0.070351 0.832422 0.525063 O\n0.929672 0.167566 0.474941 O\n0.929654 0.167500 0.974932 O\n0.684955 0.935813 0.160277 O\n0.684848 0.935834 0.660300 O\n0.315276 0.064280 0.339743 O\n0.315064 0.064232 0.839784 O\n0.327361 0.540786 0.068868 O\n0.327370 0.540783 0.568820 O\n0.672570 0.459284 0.431151 O\n0.672524 0.459230 0.931160 O\n0.493332 0.236995 0.105282 O\n0.493274 0.237026 0.605318 O\n0.506869 0.763206 0.394789 O\n0.506666 0.763059 0.894764 O\n0.883115 0.654313 0.210574 O\n0.883093 0.654301 0.710545 O\n0.116870 0.345612 0.289405 O\n0.116786 0.345639 0.789411 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Li",
"Mn",
"V",
"O"
],
"chemical_system": "Li-Mn-O-V",
"density": 3.952894710110931,
"density_atomic": 0.10318633623566824,
"volume": 387.64822416645967,
"volume_molar": 5.836180428236135,
"formula_full": "Li10 Mn6 V4 O20",
"formula_reduced": "Li5Mn3V2O10",
"formula_anonymous": "A2B3C5D10",
"energy": -301.15137943,
"energy_per_atom": -7.52878448575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -270.60337943,
"band_gap": 0.8298999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.28e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.175000Z",
"spacegroup": 2
},
{
"id": "mp-1217525",
"created_at": "2022-09-04T14:47:10.445594Z",
"structure_string": "Tb1 Nd1 Fe17\n1.0\n-4.206703 2.428741 4.131076\n0.000000 -4.857483 4.131076\n4.206703 2.428741 4.131076\nTb Nd Fe\n1 1 17\ndirect\n0.343344 0.343344 0.343344 Tb\n0.655814 0.655814 0.655814 Nd\n0.339345 0.339345 0.847422 Fe\n0.339345 0.847422 0.339345 Fe\n0.847422 0.339345 0.339345 Fe\n0.659702 0.659702 0.152800 Fe\n0.659702 0.152800 0.659702 Fe\n0.152800 0.659702 0.659702 Fe\n0.709727 0.001249 0.289368 Fe\n0.001249 0.289368 0.709727 Fe\n0.289368 0.709727 0.001249 Fe\n0.001249 0.709727 0.289368 Fe\n0.709727 0.289368 0.001249 Fe\n0.289368 0.001249 0.709727 Fe\n0.000980 0.499232 0.000980 Fe\n0.499232 0.000980 0.000980 Fe\n0.000980 0.000980 0.499232 Fe\n0.910759 0.910759 0.910759 Fe\n0.089885 0.089885 0.089885 Fe\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Tb",
"Nd",
"Fe"
],
"chemical_system": "Fe-Nd-Tb",
"density": 8.212974958543272,
"density_atomic": 0.07502673557613936,
"volume": 253.24305867897232,
"volume_molar": 8.026659715040584,
"formula_full": "Tb1 Nd1 Fe17",
"formula_reduced": "TbNdFe17",
"formula_anonymous": "ABC17",
"energy": -152.7043522,
"energy_per_atom": -8.037071168421052,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -152.7043522,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 36.8061863,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.875000Z",
"spacegroup": 160
},
{
"id": "mp-1177429",
"created_at": "2022-09-04T14:47:06.715381Z",
"structure_string": "Li16 Fe12 Si12 O48\n1.0\n8.797010 0.000000 0.000000\n0.000000 8.926548 0.000000\n0.000000 8.904918 15.297550\nLi Fe Si O\n16 12 12 48\ndirect\n0.941547 0.880254 0.096559 Li\n0.437600 0.574686 0.317233 Li\n0.067375 0.304063 0.538300 Li\n0.701568 0.995398 0.751734 Li\n0.201568 0.004602 0.748266 Li\n0.567375 0.695937 0.961700 Li\n0.937600 0.425314 0.182767 Li\n0.441547 0.119746 0.403441 Li\n0.558453 0.880254 0.596559 Li\n0.062400 0.574686 0.817233 Li\n0.432625 0.304063 0.038300 Li\n0.798432 0.995398 0.251734 Li\n0.298432 0.004602 0.248266 Li\n0.932625 0.695937 0.461700 Li\n0.562400 0.425314 0.682767 Li\n0.058453 0.119746 0.903441 Li\n0.359752 0.033111 0.909524 Fe\n0.146217 0.648488 0.269228 Fe\n0.366957 0.331698 0.572274 Fe\n0.866957 0.668302 0.927726 Fe\n0.646217 0.351512 0.230772 Fe\n0.859752 0.966889 0.590476 Fe\n0.140248 0.033111 0.409524 Fe\n0.353783 0.648488 0.769228 Fe\n0.133043 0.331698 0.072274 Fe\n0.633043 0.668302 0.427726 Fe\n0.853783 0.351512 0.730772 Fe\n0.640248 0.966889 0.090476 Fe\n0.726433 0.032325 0.908347 Si\n0.783242 0.648612 0.265303 Si\n0.732324 0.315605 0.573708 Si\n0.232324 0.684395 0.926292 Si\n0.283242 0.351388 0.234697 Si\n0.226433 0.967675 0.591653 Si\n0.773567 0.032325 0.408347 Si\n0.716758 0.648612 0.765303 Si\n0.767676 0.315605 0.073708 Si\n0.267676 0.684395 0.426292 Si\n0.216758 0.351388 0.734697 Si\n0.273567 0.967675 0.091653 Si\n0.556983 0.121274 0.896098 O\n0.777431 0.944618 0.012246 O\n0.141219 0.820866 0.148530 O\n0.212277 0.482642 0.479813 O\n0.219094 0.139488 0.811353 O\n0.640857 0.607003 0.330491 O\n0.717993 0.254062 0.681183 O\n0.949969 0.614557 0.313000 O\n0.568158 0.278328 0.545213 O\n0.718946 0.886608 0.878163 O\n0.870496 0.196535 0.567168 O\n0.776003 0.538648 0.212763 O\n0.370496 0.803465 0.932832 O\n0.218946 0.113392 0.621837 O\n0.276003 0.461352 0.287237 O\n0.068158 0.721672 0.954787 O\n0.449969 0.385443 0.187000 O\n0.217993 0.745938 0.818817 O\n0.719094 0.860512 0.688647 O\n0.140857 0.392997 0.169509 O\n0.712277 0.517358 0.020187 O\n0.641219 0.179134 0.351470 O\n0.277431 0.055382 0.487754 O\n0.056983 0.878726 0.603902 O\n0.943017 0.121274 0.396098 O\n0.722569 0.944618 0.512246 O\n0.358781 0.820866 0.648530 O\n0.287723 0.482642 0.979813 O\n0.859143 0.607003 0.830491 O\n0.280906 0.139488 0.311353 O\n0.782007 0.254062 0.181183 O\n0.550031 0.614557 0.813000 O\n0.931842 0.278328 0.045213 O\n0.723997 0.538648 0.712763 O\n0.781054 0.886608 0.378163 O\n0.629504 0.196535 0.067168 O\n0.223997 0.461352 0.787237 O\n0.129504 0.803465 0.432832 O\n0.281054 0.113392 0.121837 O\n0.431842 0.721672 0.454787 O\n0.050031 0.385443 0.687000 O\n0.282007 0.745938 0.318817 O\n0.359143 0.392997 0.669509 O\n0.780906 0.860512 0.188647 O\n0.787723 0.517358 0.520187 O\n0.858781 0.179134 0.851470 O\n0.222569 0.055382 0.987754 O\n0.443017 0.878726 0.103902 O\n",
"nsites": 88,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 2.6073225494034933,
"density_atomic": 0.07325582446218831,
"volume": 1201.2696689451914,
"volume_molar": 8.220698905802891,
"formula_full": "Li16 Fe12 Si12 O48",
"formula_reduced": "Li4Fe3(SiO4)3",
"formula_anonymous": "A3B3C4D12",
"energy": -652.15541679,
"energy_per_atom": -7.410857008977273,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -592.10741679,
"band_gap": 1.7633,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 56.0889253,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.720000Z",
"spacegroup": 14
},
{
"id": "mp-756333",
"created_at": "2022-09-04T14:47:06.732508Z",
"structure_string": "Li2 Fe4 P4 H2 O16\n1.0\n5.026686 -0.000054 -0.036150\n-0.000088 8.635243 0.001041\n-1.930060 0.000734 7.538815\nLi Fe P H O\n2 4 4 2 16\ndirect\n0.008443 0.996041 0.497078 Li\n0.491562 0.496025 0.002903 Li\n0.379461 0.842596 0.836029 Fe\n0.893457 0.653988 0.320512 Fe\n0.120707 0.342516 0.664135 Fe\n0.606374 0.153972 0.179393 Fe\n0.125307 0.356052 0.279264 P\n0.374742 0.856103 0.220725 P\n0.636814 0.145708 0.777648 P\n0.863134 0.645668 0.722383 P\n0.523529 0.519118 0.503333 H\n0.976564 0.019107 0.996672 H\n0.084946 0.531580 0.819393 O\n0.414701 0.031748 0.680611 O\n0.007459 0.203455 0.333831 O\n0.492446 0.703617 0.165918 O\n0.148693 0.829192 0.319198 O\n0.351353 0.329271 0.180760 O\n0.249148 0.449479 0.459045 O\n0.251002 0.949741 0.041026 O\n0.508584 0.295361 0.827886 O\n0.991688 0.795334 0.672312 O\n0.636651 0.671245 0.818671 O\n0.863173 0.171286 0.681264 O\n0.776096 0.065461 0.969824 O\n0.723821 0.565678 0.530103 O\n0.608462 0.959304 0.330082 O\n0.891681 0.459363 0.170001 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Fe",
"P",
"H",
"O"
],
"chemical_system": "Fe-H-Li-O-P",
"density": 3.147714028181845,
"density_atomic": 0.08572331899825902,
"volume": 326.63224344555135,
"volume_molar": 7.025090524227491,
"formula_full": "Li2 Fe4 P4 H2 O16",
"formula_reduced": "LiFe2P2HO8",
"formula_anonymous": "ABC2D2E8",
"energy": -209.09104969,
"energy_per_atom": -7.4675374889285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -189.07504969,
"band_gap": 3.5894000000000004,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.2e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.388000Z",
"spacegroup": 4
},
{
"id": "mp-759082",
"created_at": "2022-09-04T14:47:06.759002Z",
"structure_string": "Li6 V3 Cr3 P6 O24 F6\n1.0\n5.214606 0.000000 0.000000\n-2.320525 6.970146 0.000000\n-0.632170 -1.274175 14.911212\nLi V Cr P O F\n6 3 3 6 24 6\ndirect\n0.934660 0.015530 0.204944 Li\n0.731871 0.650362 0.461032 Li\n0.397435 0.315600 0.128117 Li\n0.602565 0.684400 0.871883 Li\n0.268129 0.349638 0.538968 Li\n0.065340 0.984470 0.795056 Li\n0.000000 0.500000 0.000000 V\n0.667167 0.666943 0.666345 V\n0.332833 0.333057 0.333655 V\n0.000000 0.000000 0.000000 Cr\n0.666853 0.166477 0.666682 Cr\n0.333147 0.833523 0.333318 Cr\n0.891392 0.452700 0.214102 P\n0.774338 0.213345 0.453521 P\n0.557386 0.117643 0.880375 P\n0.442614 0.882357 0.119625 P\n0.225662 0.786655 0.546479 P\n0.108608 0.547300 0.785898 P\n0.990237 0.346011 0.737649 O\n0.862286 0.210026 0.553503 O\n0.763793 0.001801 0.888684 O\n0.655721 0.012314 0.404541 O\n0.805119 0.458717 0.113894 O\n0.953592 0.670394 0.584036 O\n0.907175 0.666947 0.778200 O\n0.619261 0.336185 0.250984 O\n0.675920 0.320949 0.928989 O\n0.573597 0.333717 0.445015 O\n0.472906 0.122622 0.780390 O\n0.713832 0.998665 0.082517 O\n0.286168 0.001335 0.917483 O\n0.527094 0.877378 0.219610 O\n0.426403 0.666283 0.554985 O\n0.324080 0.679051 0.071011 O\n0.380739 0.663815 0.749016 O\n0.092825 0.333053 0.221800 O\n0.046408 0.329606 0.415964 O\n0.194881 0.541283 0.886106 O\n0.344279 0.987686 0.595459 O\n0.236207 0.998199 0.111316 O\n0.137714 0.789974 0.446497 O\n0.009763 0.653989 0.262351 O\n0.847247 0.717175 0.976249 F\n0.819632 0.958327 0.690482 F\n0.514677 0.375177 0.643039 F\n0.485323 0.624823 0.356961 F\n0.180368 0.041673 0.309518 F\n0.152753 0.282825 0.023751 F\n",
"nsites": 48,
"nelements": 6,
"elements": [
"Li",
"V",
"Cr",
"P",
"O",
"F"
],
"chemical_system": "Cr-F-Li-O-P-V",
"density": 3.168909298169975,
"density_atomic": 0.08856556905086005,
"volume": 541.971338460382,
"volume_molar": 6.799641016862545,
"formula_full": "Li6 V3 Cr3 P6 O24 F6",
"formula_reduced": "Li2VCrP2(O4F)2",
"formula_anonymous": "ABC2D2E2F8",
"energy": -364.6624743800001,
"energy_per_atom": -7.597134882916669,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -334.30547438,
"band_gap": 1.8744,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.702000Z",
"spacegroup": 2
},
{
"id": "mp-758230",
"created_at": "2022-09-04T14:47:06.689529Z",
"structure_string": "Li4 Mn6 P8 O28\n1.0\n7.387517 0.000000 0.000000\n0.000000 6.457261 0.000000\n0.000000 0.938372 13.874651\nLi Mn P O\n4 6 8 28\ndirect\n0.690568 0.567877 0.950655 Li\n0.823452 0.013728 0.566721 Li\n0.323452 0.986272 0.433279 Li\n0.190568 0.432123 0.049345 Li\n0.017418 0.830498 0.900680 Mn\n0.378967 0.269965 0.724971 Mn\n0.855737 0.546506 0.611549 Mn\n0.355737 0.453494 0.388451 Mn\n0.878967 0.730035 0.275029 Mn\n0.517418 0.169502 0.099320 Mn\n0.693545 0.102616 0.890645 P\n0.012572 0.361812 0.826845 P\n0.192138 0.875296 0.675177 P\n0.484019 0.649533 0.583110 P\n0.984019 0.350467 0.416890 P\n0.692138 0.124704 0.324823 P\n0.512572 0.638188 0.173155 P\n0.193545 0.897384 0.109355 P\n0.631064 0.251910 0.966397 O\n0.707486 0.874628 0.927163 O\n0.915294 0.150283 0.876463 O\n0.921053 0.532348 0.881913 O\n0.214761 0.339563 0.846497 O\n0.605141 0.149136 0.793724 O\n0.176353 0.887573 0.783584 O\n0.969421 0.367635 0.720021 O\n0.333015 0.679595 0.666118 O\n0.540462 0.422925 0.608864 O\n0.285526 0.065216 0.626119 O\n0.649140 0.789248 0.594937 O\n0.016475 0.818711 0.624068 O\n0.389950 0.689735 0.485128 O\n0.889950 0.310265 0.514872 O\n0.516475 0.181289 0.375932 O\n0.149140 0.210752 0.405063 O\n0.785526 0.934784 0.373881 O\n0.040462 0.577075 0.391136 O\n0.833015 0.320405 0.333882 O\n0.469421 0.632365 0.279979 O\n0.676353 0.112427 0.216416 O\n0.105141 0.850864 0.206276 O\n0.714761 0.660437 0.153503 O\n0.421053 0.467652 0.118087 O\n0.415294 0.849717 0.123537 O\n0.207486 0.125372 0.072837 O\n0.131064 0.748090 0.033603 O\n",
"nsites": 46,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.6422678879626136,
"density_atomic": 0.0695006601661084,
"volume": 661.8642166859825,
"volume_molar": 8.664868428022015,
"formula_full": "Li4 Mn6 P8 O28",
"formula_reduced": "Li2Mn3(P2O7)2",
"formula_anonymous": "A2B3C4D14",
"energy": -362.41842258,
"energy_per_atom": -7.8786613604347835,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -333.17442258,
"band_gap": 2.3814,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 29.9999308,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.767000Z",
"spacegroup": 4
},
{
"id": "mp-1184441",
"created_at": "2022-09-04T14:47:06.714267Z",
"structure_string": "Eu6 Nb2\n1.0\n3.481698 -6.030477 0.000000\n3.481698 6.030477 0.000000\n0.000000 0.000000 5.520624\nEu Nb\n6 2\ndirect\n0.825168 0.174832 0.750000 Eu\n0.349664 0.174832 0.750000 Eu\n0.825168 0.650336 0.750000 Eu\n0.650336 0.825168 0.250000 Eu\n0.174832 0.825168 0.250000 Eu\n0.174832 0.349664 0.250000 Eu\n0.666667 0.333333 0.250000 Nb\n0.333333 0.666667 0.750000 Nb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Eu",
"Nb"
],
"chemical_system": "Eu-Nb",
"density": 7.861962819060764,
"density_atomic": 0.034508736532809774,
"volume": 231.82535217984184,
"volume_molar": 17.451061282044755,
"formula_full": "Eu6 Nb2",
"formula_reduced": "Eu3Nb",
"formula_anonymous": "AB3",
"energy": -76.96170262,
"energy_per_atom": -9.6202128275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.96170262,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 45.9471924,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.583000Z",
"spacegroup": 194
},
{
"id": "mp-695743",
"created_at": "2022-09-04T14:47:06.726462Z",
"structure_string": "N8 Cl4\n1.0\n2.294258 11.030915 0.000000\n-2.294258 11.030915 0.000000\n0.000000 11.033068 6.838305\nN Cl\n8 4\ndirect\n0.360646 0.376789 0.301003 N\n0.627626 0.643971 0.689052 N\n0.420324 0.931117 0.188065 N\n0.073013 0.584544 0.808943 N\n0.196608 0.561744 0.346069 N\n0.441489 0.804711 0.654199 N\n0.301723 0.148775 0.147682 N\n0.846280 0.706418 0.849035 N\n0.707293 0.213576 0.427910 Cl\n0.790290 0.283440 0.581268 Cl\n0.887160 0.877050 0.081156 Cl\n0.112996 0.121045 0.919996 Cl\n",
"nsites": 12,
"nelements": 2,
"elements": [
"N",
"Cl"
],
"chemical_system": "Cl-N",
"density": 1.2179254276049294,
"density_atomic": 0.0346696127214781,
"volume": 346.12443168613487,
"volume_molar": 17.370083734074235,
"formula_full": "N8 Cl4",
"formula_reduced": "N2Cl",
"formula_anonymous": "AB2",
"energy": -70.20894801,
"energy_per_atom": -5.8507456675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.75294801,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000235,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.465000Z",
"spacegroup": 1
}
]
}