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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-created_at&page=11571",
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"results": [
{
"id": "mp-1220804",
"created_at": "2022-09-04T14:39:27.127950Z",
"structure_string": "Na3 Ho3 Ir3 O12\n1.0\n0.000000 0.000000 -3.246390\n-4.799477 -8.312937 0.000000\n-4.562574 8.176161 0.000000\nNa Ho Ir O\n3 3 3 12\ndirect\n0.000000 0.016406 0.000000 Na\n0.500000 0.300463 0.300243 Na\n0.500000 0.000219 0.699757 Na\n0.500000 0.316471 0.658473 Ho\n0.500000 0.657998 0.341527 Ho\n0.500000 0.701936 0.000000 Ho\n0.000000 0.331701 0.000000 Ir\n0.000000 0.672676 0.674766 Ir\n0.000000 0.997910 0.325234 Ir\n0.500000 0.463031 0.000000 O\n0.500000 0.545097 0.544224 O\n0.500000 0.000873 0.455776 O\n0.500000 0.200754 0.000000 O\n0.500000 0.805830 0.820026 O\n0.500000 0.985804 0.179974 O\n0.000000 0.466337 0.250183 O\n0.000000 0.782647 0.539710 O\n0.000000 0.743805 0.192955 O\n0.000000 0.216154 0.749817 O\n0.000000 0.242938 0.460290 O\n0.000000 0.550850 0.807045 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Na",
"Ho",
"Ir",
"O"
],
"chemical_system": "Ho-Ir-Na-O",
"density": 8.831563935981887,
"density_atomic": 0.08382467237723594,
"volume": 250.52289981514937,
"volume_molar": 7.184210315667655,
"formula_full": "Na3 Ho3 Ir3 O12",
"formula_reduced": "NaHoIrO4",
"formula_anonymous": "ABCD4",
"energy": -152.67942084,
"energy_per_atom": -7.270448611428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -144.43542084,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.5843705,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.094000Z",
"spacegroup": 38
},
{
"id": "mp-754122",
"created_at": "2022-09-04T14:39:27.127024Z",
"structure_string": "Li2 Ni2 P2 O8\n1.0\n2.422242 -4.195364 0.000030\n4.843994 -0.000135 -0.000024\n2.421878 1.398286 7.842710\nLi Ni P O\n2 2 2 8\ndirect\n0.005017 0.989974 0.015063 Li\n0.570528 0.858922 0.711682 Li\n0.126244 0.747435 0.379115 Ni\n0.449355 0.101409 0.347525 Ni\n0.862683 0.274673 0.588052 P\n0.712799 0.574359 0.138433 P\n0.926380 0.147207 0.779033 O\n0.649219 0.701587 0.947455 O\n0.542624 0.636445 0.519814 O\n0.754505 0.826282 0.206587 O\n0.820894 0.022942 0.519771 O\n0.032903 0.212597 0.206653 O\n0.419245 0.547876 0.206645 O\n0.156137 0.301233 0.519762 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Ni",
"P",
"O"
],
"chemical_system": "Li-Ni-O-P",
"density": 3.3466197038573995,
"density_atomic": 0.08784037557536978,
"volume": 159.380010710309,
"volume_molar": 6.855777563055632,
"formula_full": "Li2 Ni2 P2 O8",
"formula_reduced": "LiNiPO4",
"formula_anonymous": "ABCD4",
"energy": -98.12352119,
"energy_per_atom": -7.008822942142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.54552119,
"band_gap": 3.3223,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.072000Z",
"spacegroup": 148
},
{
"id": "mp-1216036",
"created_at": "2022-09-04T14:39:27.115730Z",
"structure_string": "Zn6 Co8 Sb4 O24\n1.0\n6.230247 0.000000 0.000000\n-0.353929 8.675755 0.000000\n-2.892154 -4.308603 9.124913\nZn Co Sb O\n6 8 4 24\ndirect\n0.882468 0.799416 0.819714 Zn\n0.554822 0.454349 0.164650 Zn\n0.221894 0.141424 0.496913 Zn\n0.445178 0.545651 0.835350 Zn\n0.117532 0.200584 0.180286 Zn\n0.778106 0.858576 0.503087 Zn\n0.666653 0.170463 0.334180 Co\n0.333347 0.829537 0.665820 Co\n0.828015 0.326316 0.655091 Co\n0.500000 0.000000 0.000000 Co\n0.171985 0.673684 0.344909 Co\n0.658530 0.152485 0.823526 Co\n0.341470 0.847515 0.176474 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Sb\n0.167112 0.158143 0.826539 Sb\n0.832888 0.841857 0.173461 Sb\n0.500000 0.500000 0.500000 Sb\n0.474136 0.239103 0.978851 O\n0.143660 0.903936 0.318283 O\n0.809160 0.568726 0.652562 O\n0.324360 0.090214 0.676284 O\n0.992983 0.740562 0.010951 O\n0.658782 0.423250 0.346401 O\n0.634949 0.927415 0.832985 O\n0.295128 0.591457 0.159969 O\n0.969137 0.263141 0.496526 O\n0.168010 0.934317 0.836520 O\n0.840618 0.589883 0.156796 O\n0.502188 0.267248 0.498340 O\n0.856340 0.096064 0.681717 O\n0.525864 0.760897 0.021149 O\n0.190840 0.431274 0.347438 O\n0.007017 0.259438 0.989049 O\n0.675640 0.909786 0.323716 O\n0.341218 0.576750 0.653599 O\n0.704872 0.408543 0.840031 O\n0.365051 0.072585 0.167015 O\n0.030863 0.736859 0.503474 O\n0.159382 0.410117 0.843204 O\n0.831990 0.065683 0.163480 O\n0.497812 0.732752 0.501660 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Zn",
"Co",
"Sb",
"O"
],
"chemical_system": "Co-O-Sb-Zn",
"density": 5.841085626859365,
"density_atomic": 0.08515458054185815,
"volume": 493.2206785911498,
"volume_molar": 7.072010362425292,
"formula_full": "Zn6 Co8 Sb4 O24",
"formula_reduced": "Zn3Co4(SbO6)2",
"formula_anonymous": "A2B3C4D12",
"energy": -270.03364349,
"energy_per_atom": -6.429372464047619,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -240.44164349,
"band_gap": 0.3470999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 24.00007,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.489000Z",
"spacegroup": 2
},
{
"id": "mp-1174408",
"created_at": "2022-09-04T14:39:27.113249Z",
"structure_string": "Li8 Co6 O14\n1.0\n1.509785 6.189061 0.000000\n-1.509785 6.189061 0.000000\n0.000000 4.572616 13.535194\nLi Co O\n8 6 14\ndirect\n0.712481 0.712481 0.931809 Li\n0.287519 0.287519 0.068191 Li\n0.860374 0.860374 0.214020 Li\n0.139626 0.139626 0.785980 Li\n0.571632 0.571632 0.644332 Li\n0.428368 0.428368 0.355668 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.429514 0.429514 0.864645 Co\n0.570486 0.570486 0.135355 Co\n0.140841 0.140841 0.284082 Co\n0.714049 0.714049 0.427796 Co\n0.285951 0.285951 0.572204 Co\n0.859159 0.859159 0.715918 Co\n0.863274 0.863274 0.955637 O\n0.441237 0.441237 0.112202 O\n0.008373 0.008373 0.246660 O\n0.299210 0.299210 0.820815 O\n0.723637 0.723637 0.677466 O\n0.579319 0.579319 0.389866 O\n0.151555 0.151555 0.533015 O\n0.558763 0.558763 0.887798 O\n0.136726 0.136726 0.044363 O\n0.700790 0.700790 0.179185 O\n0.991627 0.991627 0.753340 O\n0.420681 0.420681 0.610134 O\n0.276363 0.276363 0.322534 O\n0.848445 0.848445 0.466985 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.156233482261033,
"density_atomic": 0.11069389807650389,
"volume": 252.94980560399415,
"volume_molar": 5.440354766292464,
"formula_full": "Li8 Co6 O14",
"formula_reduced": "Li4Co3O7",
"formula_anonymous": "A3B4C7",
"energy": -173.45768951,
"energy_per_atom": -6.1949174825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -154.01168951,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.5397681,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.004000Z",
"spacegroup": 12
},
{
"id": "mp-1235998",
"created_at": "2022-09-04T14:39:27.112702Z",
"structure_string": "Li1 La2 Co2 Sb2 Pb2 O12\n1.0\n5.879101 0.353127 0.033595\n0.362182 6.204586 0.009219\n0.059068 0.020411 7.902051\nLi La Co Sb Pb O\n1 2 2 2 2 12\ndirect\n0.758841 0.736270 0.191861 Li\n0.523669 0.431914 0.754394 La\n0.031938 0.084811 0.249771 La\n0.984398 0.501866 0.507084 Co\n0.541830 0.008141 0.986995 Co\n0.000280 0.499861 0.985131 Sb\n0.516814 0.993044 0.500020 Sb\n0.426205 0.511515 0.261870 Pb\n0.022386 0.962410 0.753583 Pb\n0.629970 0.001966 0.257395 O\n0.108131 0.524415 0.744694 O\n0.421351 0.045379 0.743460 O\n0.931420 0.471857 0.248131 O\n0.241066 0.837596 0.445289 O\n0.690939 0.672546 0.957408 O\n0.765368 0.195847 0.544747 O\n0.290368 0.304812 0.037042 O\n0.284157 0.276178 0.451917 O\n0.833780 0.238729 0.949293 O\n0.693752 0.698827 0.548724 O\n0.124766 0.772848 0.056190 O\n",
"nsites": 21,
"nelements": 6,
"elements": [
"Li",
"La",
"Co",
"Sb",
"Pb",
"O"
],
"chemical_system": "Co-La-Li-O-Pb-Sb",
"density": 7.241342355495205,
"density_atomic": 0.07311403449074008,
"volume": 287.2225578340867,
"volume_molar": 8.23664129868624,
"formula_full": "Li1 La2 Co2 Sb2 Pb2 O12",
"formula_reduced": "LiLa2Co2Sb2(PbO6)2",
"formula_anonymous": "AB2C2D2E2F12",
"energy": -144.85129709,
"energy_per_atom": -6.897680813809524,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -133.33129709,
"band_gap": 0.5079000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9965161,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.442000Z",
"spacegroup": 1
},
{
"id": "mp-1247714",
"created_at": "2022-09-04T14:39:27.112376Z",
"structure_string": "Sr4 Ca28 Ti12 Mn20 O96\n1.0\n10.905976 0.000519 -0.002039\n0.000727 15.305632 -0.001505\n-0.002013 -0.001059 10.765868\nSr Ca Ti Mn O\n4 28 12 20 96\ndirect\n0.012931 0.124758 0.498116 Sr\n0.486450 0.375064 0.002129 Sr\n0.235992 0.375741 0.248387 Sr\n0.269256 0.124465 0.253296 Sr\n0.017939 0.124786 0.995152 Ca\n0.022706 0.625163 0.497224 Ca\n0.018654 0.625250 0.995101 Ca\n0.524149 0.124811 0.495799 Ca\n0.524977 0.124932 0.994913 Ca\n0.524073 0.625187 0.495646 Ca\n0.524079 0.625133 0.995267 Ca\n0.480486 0.376610 0.506906 Ca\n0.480869 0.875241 0.004346 Ca\n0.479810 0.873309 0.505939 Ca\n0.976094 0.376271 0.002304 Ca\n0.975497 0.376089 0.505356 Ca\n0.975615 0.873699 0.002493 Ca\n0.976123 0.873874 0.505018 Ca\n0.228876 0.377267 0.743343 Ca\n0.230758 0.874317 0.247410 Ca\n0.229087 0.872722 0.744342 Ca\n0.727452 0.374745 0.247078 Ca\n0.726678 0.375157 0.744419 Ca\n0.726315 0.875164 0.246076 Ca\n0.726367 0.874839 0.744772 Ca\n0.275384 0.124621 0.754693 Ca\n0.274607 0.625338 0.255405 Ca\n0.273398 0.625381 0.751707 Ca\n0.766690 0.124880 0.254142 Ca\n0.768426 0.125058 0.755300 Ca\n0.767909 0.625203 0.254427 Ca\n0.773044 0.624954 0.755659 Ca\n0.997233 0.998124 0.249508 Ti\n0.998686 0.998344 0.751831 Ti\n0.997082 0.500522 0.250650 Ti\n0.251403 0.998803 0.998383 Ti\n0.252304 0.997748 0.502819 Ti\n0.249162 0.501526 0.998017 Ti\n0.249888 0.249684 0.997191 Ti\n0.251710 0.251493 0.504247 Ti\n0.250666 0.750012 0.999295 Ti\n0.995841 0.251230 0.249901 Ti\n0.998317 0.251546 0.751486 Ti\n0.998744 0.750101 0.250363 Ti\n0.000455 0.501775 0.749453 Mn\n0.502734 0.999390 0.252028 Mn\n0.502240 0.999772 0.752002 Mn\n0.502196 0.501560 0.252398 Mn\n0.501443 0.501754 0.748272 Mn\n0.251618 0.502374 0.500709 Mn\n0.748343 0.999228 0.001555 Mn\n0.746741 0.998488 0.501427 Mn\n0.749909 0.500362 0.000577 Mn\n0.749905 0.501094 0.502566 Mn\n0.252196 0.748536 0.498956 Mn\n0.749745 0.249545 0.001964 Mn\n0.746613 0.251123 0.501643 Mn\n0.748479 0.750899 0.000141 Mn\n0.750021 0.749275 0.502355 Mn\n0.000822 0.748455 0.749613 Mn\n0.503881 0.248444 0.252435 Mn\n0.501784 0.249126 0.750196 Mn\n0.500805 0.750692 0.251792 Mn\n0.501857 0.749231 0.750050 Mn\n0.104649 0.267386 0.103767 O\n0.106077 0.269847 0.607513 O\n0.106425 0.770158 0.105543 O\n0.104311 0.770017 0.602636 O\n0.609084 0.266257 0.107483 O\n0.602906 0.269798 0.601454 O\n0.602850 0.770342 0.102504 O\n0.604031 0.770291 0.603189 O\n0.398338 0.233910 0.393885 O\n0.397162 0.229496 0.890137 O\n0.397330 0.728423 0.397403 O\n0.396497 0.730344 0.892283 O\n0.885540 0.235257 0.391854 O\n0.891838 0.232581 0.897957 O\n0.891744 0.730618 0.397210 O\n0.896228 0.729560 0.897328 O\n0.139903 0.236290 0.360077 O\n0.143611 0.231537 0.852930 O\n0.146631 0.729989 0.356173 O\n0.142932 0.729635 0.852669 O\n0.646790 0.229543 0.353940 O\n0.646429 0.230151 0.853214 O\n0.646251 0.729557 0.353026 O\n0.646792 0.729212 0.852508 O\n0.362693 0.263246 0.141295 O\n0.357968 0.267888 0.648580 O\n0.357363 0.769255 0.146885 O\n0.354769 0.769967 0.646793 O\n0.852766 0.269690 0.141668 O\n0.853180 0.268516 0.642163 O\n0.852830 0.769667 0.143215 O\n0.853761 0.770962 0.647303 O\n0.361004 0.487682 0.142671 O\n0.354649 0.481265 0.647173 O\n0.359211 0.980014 0.145537 O\n0.357956 0.980633 0.648311 O\n0.853391 0.480755 0.142921 O\n0.853848 0.479068 0.647317 O\n0.852010 0.979914 0.142000 O\n0.853143 0.981427 0.642103 O\n0.141161 0.012785 0.358716 O\n0.143690 0.017551 0.853572 O\n0.145323 0.520934 0.357878 O\n0.142765 0.521165 0.851979 O\n0.646712 0.020057 0.352768 O\n0.647113 0.020495 0.852435 O\n0.646534 0.520855 0.354216 O\n0.646016 0.520126 0.853327 O\n0.399050 0.016640 0.394612 O\n0.398436 0.019309 0.892910 O\n0.396678 0.520958 0.397068 O\n0.395160 0.520807 0.889553 O\n0.886006 0.014046 0.391669 O\n0.891701 0.017280 0.898075 O\n0.891285 0.520041 0.397344 O\n0.896212 0.520535 0.897283 O\n0.104774 0.482198 0.104445 O\n0.103720 0.480342 0.603202 O\n0.106210 0.980383 0.104799 O\n0.106826 0.979602 0.606956 O\n0.608592 0.484496 0.107920 O\n0.604488 0.480635 0.602138 O\n0.603339 0.979002 0.102180 O\n0.602495 0.979272 0.602437 O\n0.001795 0.376451 0.285338 O\n0.008318 0.378163 0.785962 O\n0.007723 0.873584 0.285469 O\n0.008451 0.871794 0.786099 O\n0.510272 0.375423 0.288915 O\n0.511569 0.375408 0.779889 O\n0.511878 0.874708 0.291316 O\n0.511245 0.874616 0.790567 O\n0.498379 0.123753 0.211112 O\n0.490994 0.124600 0.709905 O\n0.490062 0.626345 0.211812 O\n0.490342 0.625362 0.708879 O\n0.991538 0.124645 0.216088 O\n0.989560 0.124897 0.723907 O\n0.991580 0.625324 0.214108 O\n0.987690 0.625008 0.708969 O\n0.239931 0.124169 0.025783 O\n0.247460 0.124734 0.534605 O\n0.239793 0.625909 0.035133 O\n0.240158 0.625281 0.540409 O\n0.739845 0.124271 0.040298 O\n0.740123 0.124857 0.540386 O\n0.740653 0.625726 0.039411 O\n0.738187 0.625171 0.541446 O\n0.260109 0.378453 0.474533 O\n0.253692 0.375434 0.964057 O\n0.260142 0.871342 0.464093 O\n0.259402 0.874593 0.962299 O\n0.759399 0.376056 0.461664 O\n0.757968 0.375234 0.960637 O\n0.759578 0.873932 0.461236 O\n0.759447 0.874775 0.959615 O\n",
"nsites": 160,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Ti",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O-Sr-Ti",
"density": 4.326079113646794,
"density_atomic": 0.08903384877524499,
"volume": 1797.069341615236,
"volume_molar": 6.763877831679673,
"formula_full": "Sr4 Ca28 Ti12 Mn20 O96",
"formula_reduced": "SrCa7Ti3Mn5O24",
"formula_anonymous": "AB3C5D7E24",
"energy": -1277.1640192,
"energy_per_atom": -7.98227512,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1177.8520192,
"band_gap": 0.5068000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 59.9999992,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.035000Z",
"spacegroup": 1
},
{
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