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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=10366",
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"results": [
{
"id": "mp-1220847",
"created_at": "2022-09-04T14:42:01.059516Z",
"structure_string": "Na6 Sm4 Ge4 Se17\n1.0\n5.569769 11.538504 0.000000\n-5.569769 11.538504 0.000000\n0.000000 1.587173 6.809156\nNa Sm Ge Se\n6 4 4 17\ndirect\n0.409602 0.403372 0.842769 Na\n0.596628 0.590398 0.157231 Na\n0.601828 0.588631 0.705245 Na\n0.411369 0.398172 0.294755 Na\n0.822155 0.164388 0.242695 Na\n0.835612 0.177845 0.757305 Na\n0.670752 0.945713 0.423669 Sm\n0.054287 0.329248 0.576331 Sm\n0.327697 0.043489 0.084352 Sm\n0.956511 0.672303 0.915648 Sm\n0.347244 0.949393 0.619082 Ge\n0.050607 0.652756 0.380918 Ge\n0.645628 0.052383 0.889371 Ge\n0.947617 0.354372 0.110629 Ge\n0.623831 0.183057 0.579393 Se\n0.816943 0.376169 0.420607 Se\n0.362433 0.823838 0.923064 Se\n0.176162 0.637567 0.076936 Se\n0.867455 0.652548 0.349225 Se\n0.347452 0.132545 0.650775 Se\n0.134855 0.345053 0.144922 Se\n0.654947 0.865145 0.855078 Se\n0.528904 0.824371 0.375261 Se\n0.175629 0.471096 0.624739 Se\n0.465848 0.161593 0.140345 Se\n0.838407 0.534152 0.859655 Se\n0.842236 0.952012 0.041256 Se\n0.047988 0.157764 0.958744 Se\n0.152775 0.056856 0.458797 Se\n0.943144 0.847225 0.541203 Se\n0.611754 0.388246 0.000000 Se\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Na",
"Sm",
"Ge",
"Se"
],
"chemical_system": "Ge-Na-Se-Sm",
"density": 4.500918630658146,
"density_atomic": 0.0354202584226485,
"volume": 875.2053593199622,
"volume_molar": 17.001967315261908,
"formula_full": "Na6 Sm4 Ge4 Se17",
"formula_reduced": "Na6Sm4Ge4Se17",
"formula_anonymous": "A4B4C6D17",
"energy": -145.47315879,
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"band_gap": 1.3868,
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"total_magnetization": 0.001045,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.434000Z",
"spacegroup": 5
},
{
"id": "mp-1298662",
"created_at": "2022-09-04T14:42:01.726002Z",
"structure_string": "Sr12 Zn4 Co4 O24\n1.0\n4.847159 2.804516 3.692169\n-4.832675 2.803631 3.673831\n0.012817 -11.172275 7.332789\nSr Zn Co O\n12 4 4 24\ndirect\n0.614124 0.885930 0.124966 Sr\n0.616961 0.882686 0.624820 Sr\n0.885161 0.253251 0.309887 Sr\n0.884735 0.248542 0.806256 Sr\n0.251593 0.615286 0.443726 Sr\n0.247207 0.615254 0.940135 Sr\n0.113906 0.753183 0.192084 Sr\n0.116028 0.744962 0.691700 Sr\n0.746517 0.386056 0.057912 Sr\n0.754772 0.383676 0.558270 Sr\n0.386153 0.117388 0.377585 Sr\n0.382540 0.114236 0.872655 Sr\n0.246111 0.253729 0.125072 Zn\n0.251018 0.249020 0.624986 Zn\n0.749488 0.745869 0.378296 Zn\n0.753734 0.751068 0.871605 Zn\n0.502163 0.498533 0.750085 Co\n0.001531 0.997813 0.499879 Co\n0.498386 0.501629 0.250256 Co\n0.998268 0.001661 0.999811 Co\n0.538717 0.227115 0.207684 O\n0.543484 0.219713 0.705753 O\n0.223455 0.416582 0.269495 O\n0.212421 0.405402 0.770385 O\n0.410362 0.543768 0.104217 O\n0.417817 0.540682 0.615248 O\n0.044821 0.915448 0.364670 O\n0.041936 0.912375 0.855574 O\n0.911907 0.724664 0.019697 O\n0.912400 0.712432 0.520338 O\n0.721044 0.037939 0.454342 O\n0.723412 0.042632 0.957916 O\n0.456104 0.775265 0.291531 O\n0.461116 0.778130 0.794935 O\n0.776156 0.589586 0.230463 O\n0.787888 0.588164 0.729683 O\n0.587460 0.458933 0.394681 O\n0.584462 0.456439 0.885645 O\n0.955037 0.089762 0.145499 O\n0.958281 0.082257 0.634445 O\n0.094088 0.286983 0.479626 O\n0.081912 0.275967 0.980314 O\n0.274194 0.962936 0.043082 O\n0.281131 0.957053 0.544790 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Sr",
"Zn",
"Co",
"O"
],
"chemical_system": "Co-O-Sr-Zn",
"density": 5.373023148863743,
"density_atomic": 0.07366083482178917,
"volume": 597.3323558774631,
"volume_molar": 8.175498926355672,
"formula_full": "Sr12 Zn4 Co4 O24",
"formula_reduced": "Sr3ZnCoO6",
"formula_anonymous": "ABC3D6",
"energy": -277.75355268,
"energy_per_atom": -6.312580742727272,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -254.71355268,
"band_gap": 1.2648,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9999727,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.553000Z",
"spacegroup": 5
},
{
"id": "mp-1235501",
"created_at": "2022-09-04T14:42:05.049120Z",
"structure_string": "Li1 La2 As2 O8\n1.0\n-3.739845 3.825384 3.345074\n3.825384 -3.739845 3.345074\n3.778587 3.778587 -3.247153\nLi La As O\n1 2 2 8\ndirect\n0.022743 0.977257 0.500000 Li\n0.998709 0.001291 0.000000 La\n0.735029 0.264971 0.500000 La\n0.483045 0.516955 0.000000 As\n0.262542 0.737458 0.500000 As\n0.493916 0.329462 0.167853 O\n0.726473 0.889790 0.225944 O\n0.092138 0.405964 0.323587 O\n0.670538 0.506084 0.832147 O\n0.594036 0.907862 0.676413 O\n0.241582 0.920544 0.338376 O\n0.110210 0.273527 0.774056 O\n0.079456 0.758418 0.661624 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Li",
"La",
"As",
"O"
],
"chemical_system": "As-La-Li-O",
"density": 4.831793006530041,
"density_atomic": 0.0672373061082634,
"volume": 193.345045369126,
"volume_molar": 8.95654675739587,
"formula_full": "Li1 La2 As2 O8",
"formula_reduced": "LiLa2(AsO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -95.3166463,
"energy_per_atom": -7.332049715384615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.8206463,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0185405,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.797000Z",
"spacegroup": 5
},
{
"id": "mp-1391177",
"created_at": "2022-09-04T14:42:02.338035Z",
"structure_string": "Ca4 Sn2 N4\n1.0\n2.508972 5.413655 0.000000\n-2.508972 5.413655 0.000000\n0.000000 2.466581 6.336717\nCa Sn N\n4 2 4\ndirect\n0.332521 0.333881 0.581707 Ca\n0.666119 0.667479 0.418293 Ca\n0.988782 0.993116 0.741864 Ca\n0.006884 0.011218 0.258136 Ca\n0.676299 0.653468 0.908048 Sn\n0.346532 0.323701 0.091952 Sn\n0.823635 0.830681 0.592973 N\n0.169319 0.176365 0.407027 N\n0.491417 0.498639 0.222399 N\n0.501361 0.508583 0.777601 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"N"
],
"chemical_system": "Ca-N-Sn",
"density": 4.3771704662906545,
"density_atomic": 0.058092397740003264,
"volume": 172.13956367846487,
"volume_molar": 10.366486828366988,
"formula_full": "Ca4 Sn2 N4",
"formula_reduced": "Ca2SnN2",
"formula_anonymous": "AB2C2",
"energy": -56.11924929,
"energy_per_atom": -5.611924929,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -54.67524929,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.8e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.898000Z",
"spacegroup": 5
},
{
"id": "mp-676450",
"created_at": "2022-09-04T14:42:02.439175Z",
"structure_string": "Li6 U3 Br18\n1.0\n10.082075 0.000000 -5.940739\n-4.029712 19.067652 9.839862\n-2.686474 0.000000 6.559908\nLi U Br\n6 3 18\ndirect\n0.650888 0.662564 0.528331 Li\n0.664042 0.331189 0.543098 Li\n0.697379 0.007252 0.644305 Li\n0.302621 0.007252 0.333940 Li\n0.349112 0.662564 0.483978 Li\n0.335958 0.331189 0.463335 Li\n0.000000 0.551301 0.673049 U\n0.000000 0.223631 0.664554 U\n0.500000 0.888399 0.167400 U\n0.659890 0.995184 -0.023201 Br\n0.737914 0.653799 0.019710 Br\n0.221518 0.887440 0.534564 Br\n0.732283 0.322684 0.006560 Br\n0.221588 0.553519 0.636767 Br\n0.290341 0.792882 0.247414 Br\n0.778482 0.887440 0.803116 Br\n0.220029 0.220622 0.633033 Br\n0.235820 0.448978 0.291986 Br\n0.778412 0.553519 0.702675 Br\n0.709659 0.792882 0.373940 Br\n0.226563 0.117222 0.265059 Br\n0.779971 0.220622 0.705102 Br\n0.764180 0.448978 0.361080 Br\n0.262086 0.653799 0.018895 Br\n0.773437 0.117222 0.383277 Br\n0.267717 0.322684 0.025387 Br\n0.340110 0.995184 0.037648 Br\n",
"nsites": 27,
"nelements": 3,
"elements": [
"Li",
"U",
"Br"
],
"chemical_system": "Br-Li-U",
"density": 3.8078290826358003,
"density_atomic": 0.02821984042881411,
"volume": 956.7736595856659,
"volume_molar": 21.34009501290816,
"formula_full": "Li6 U3 Br18",
"formula_reduced": "Li2UBr6",
"formula_anonymous": "AB2C6",
"energy": -121.75414492999998,
"energy_per_atom": -4.509412775185185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -112.14214493,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1528609,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.575000Z",
"spacegroup": 5
},
{
"id": "mp-1176971",
"created_at": "2022-09-04T14:42:04.261758Z",
"structure_string": "Li12 Mn2 V6 P12 O48\n1.0\n6.630459 7.255335 0.000000\n-6.630459 7.255335 0.000000\n0.000000 0.751633 9.863496\nLi Mn V P O\n12 2 6 12 48\ndirect\n0.987981 0.510660 0.239895 Li\n0.023311 0.249441 0.384732 Li\n0.786103 0.566451 0.462200 Li\n0.769732 0.735726 0.177042 Li\n0.750559 0.976689 0.615268 Li\n0.630160 0.748659 0.813243 Li\n0.489340 0.012019 0.760105 Li\n0.433549 0.213897 0.537800 Li\n0.297344 0.924687 0.982865 Li\n0.264274 0.230268 0.822958 Li\n0.251341 0.369840 0.186757 Li\n0.075313 0.702656 0.017135 Li\n0.249514 0.976722 0.278563 Mn\n0.023278 0.750486 0.721437 Mn\n0.969993 0.249872 0.782735 V\n0.747514 0.252486 0.000000 V\n0.750128 0.030007 0.217265 V\n0.534758 0.465242 0.000000 V\n0.466478 0.533522 0.500000 V\n0.253590 0.746410 0.500000 V\n0.947495 0.817505 0.401947 P\n0.827569 0.947849 0.907821 P\n0.839822 0.551592 0.929445 P\n0.680217 0.342938 0.302908 P\n0.657062 0.319783 0.697092 P\n0.556961 0.836326 0.430270 P\n0.448408 0.160178 0.070555 P\n0.352829 0.684055 0.804801 P\n0.315945 0.647171 0.195199 P\n0.163674 0.443039 0.569730 P\n0.182495 0.052505 0.598053 P\n0.052151 0.172431 0.092179 P\n0.970248 0.876404 0.882132 O\n0.904413 0.824869 0.553321 O\n0.886354 0.611964 0.792405 O\n0.896801 0.954304 0.327637 O\n0.898132 0.692869 0.337029 O\n0.871472 0.390017 0.927314 O\n0.903349 0.601629 0.054207 O\n0.890322 0.167097 0.120932 O\n0.832903 0.109678 0.879068 O\n0.814023 0.313311 0.670946 O\n0.784367 0.911341 0.059674 O\n0.805751 0.406537 0.346044 O\n0.719358 0.911594 0.812689 O\n0.679158 0.588003 0.944066 O\n0.686689 0.185977 0.329054 O\n0.668988 0.379018 0.141191 O\n0.626556 0.880511 0.293073 O\n0.594069 0.908964 0.552342 O\n0.620982 0.331012 0.858809 O\n0.599103 0.457237 0.632255 O\n0.594114 0.675990 0.447442 O\n0.593463 0.194249 0.653956 O\n0.609983 0.128528 0.072686 O\n0.542763 0.400897 0.367745 O\n0.428744 0.805871 0.840270 O\n0.454866 0.580786 0.136754 O\n0.419214 0.545134 0.863246 O\n0.394761 0.863799 0.421093 O\n0.376010 0.670307 0.642769 O\n0.398371 0.096651 0.945793 O\n0.411997 0.320842 0.055934 O\n0.388036 0.113646 0.207595 O\n0.329693 0.623990 0.357231 O\n0.301307 0.798799 0.151624 O\n0.324010 0.405886 0.552558 O\n0.307131 0.101868 0.662971 O\n0.201201 0.698693 0.848376 O\n0.187125 0.889855 0.619692 O\n0.194129 0.571256 0.159730 O\n0.175131 0.095587 0.446679 O\n0.136201 0.605239 0.578907 O\n0.110145 0.812875 0.380308 O\n0.119489 0.373444 0.706927 O\n0.088659 0.215633 0.940326 O\n0.091036 0.405931 0.447658 O\n0.123596 0.029752 0.117868 O\n0.088406 0.280642 0.187311 O\n0.045696 0.103199 0.672363 O\n",
"nsites": 80,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.8669925829242677,
"density_atomic": 0.0843000931962012,
"volume": 948.990647184777,
"volume_molar": 7.143694071587782,
"formula_full": "Li12 Mn2 V6 P12 O48",
"formula_reduced": "Li6MnV3(PO4)6",
"formula_anonymous": "AB3C6D6E24",
"energy": -602.76471818,
"energy_per_atom": -7.534558977250001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -556.25271818,
"band_gap": 0.1796999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.5135016,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.334000Z",
"spacegroup": 5
},
{
"id": "mp-866712",
"created_at": "2022-09-04T14:42:03.590832Z",
"structure_string": "Rb2 Mn2 P6 H2 O20\n1.0\n6.197700 4.377006 0.011977\n-6.197495 4.376691 -0.013040\n-2.642884 -0.001112 8.517868\nRb Mn P H O\n2 2 6 2 20\ndirect\n0.628910 0.095361 0.249715 Rb\n0.095998 0.629248 0.750860 Rb\n0.200451 0.200546 0.499780 Mn\n0.710690 0.710723 0.000176 Mn\n0.069611 0.536590 0.207367 P\n0.536976 0.070103 0.792486 P\n0.067634 0.915029 0.236102 P\n0.915111 0.067386 0.763874 P\n0.456583 0.514422 0.269727 P\n0.514356 0.456878 0.730264 P\n0.615667 0.614666 0.501030 H\n0.123132 0.123763 0.999440 H\n0.199112 0.045727 0.122142 O\n0.045967 0.199044 0.878000 O\n0.093358 0.981262 0.390297 O\n0.981514 0.093404 0.609759 O\n0.856951 0.865737 0.159448 O\n0.865845 0.856917 0.840657 O\n0.124788 0.717818 0.293618 O\n0.718120 0.124911 0.706184 O\n0.928544 0.554456 0.058429 O\n0.554530 0.929107 0.941466 O\n0.023415 0.360870 0.329666 O\n0.361006 0.023843 0.670468 O\n0.267798 0.558408 0.155738 O\n0.560060 0.268974 0.843905 O\n0.399857 0.314329 0.369457 O\n0.314469 0.399911 0.630637 O\n0.579457 0.513137 0.157474 O\n0.513381 0.580414 0.842085 O\n0.544904 0.672713 0.368246 O\n0.672805 0.545297 0.631505 O\n",
"nsites": 32,
"nelements": 5,
"elements": [
"Rb",
"Mn",
"P",
"H",
"O"
],
"chemical_system": "H-Mn-O-P-Rb",
"density": 2.832175960014151,
"density_atomic": 0.06920417914280513,
"volume": 462.3998203051716,
"volume_molar": 8.701990016488905,
"formula_full": "Rb2 Mn2 P6 H2 O20",
"formula_reduced": "RbMnP3HO10",
"formula_anonymous": "ABCD3E10",
"energy": -237.87044576,
"energy_per_atom": -7.43345143,
"energy_above_hull": null,
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"band_gap": 0.7153,
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"updated_at": "2021-11-28T01:35:36.920000Z",
"spacegroup": 5
},
{
"id": "mp-26181",
"created_at": "2022-09-04T14:42:03.956833Z",
"structure_string": "Li1 Fe1 P2 O7\n1.0\n4.111219 3.303653 0.000000\n-4.111219 3.303653 0.000000\n0.000000 1.086456 4.434911\nLi Fe P O\n1 1 2 7\ndirect\n0.750743 0.249257 0.000000 Li\n0.126383 0.873617 0.000000 Fe\n0.253021 0.332236 0.409974 P\n0.667764 0.746979 0.590026 P\n0.127678 0.537281 0.255028 O\n0.072751 0.183495 0.709840 O\n0.348611 0.157142 0.197545 O\n0.525816 0.474184 0.500000 O\n0.816505 0.927249 0.290160 O\n0.462719 0.872322 0.744972 O\n0.842858 0.651389 0.802455 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 3.2630311094802105,
"density_atomic": 0.09130882288826002,
"volume": 120.47028591597712,
"volume_molar": 6.5953547198496345,
"formula_full": "Li1 Fe1 P2 O7",
"formula_reduced": "LiFeP2O7",
"formula_anonymous": "ABC2D7",
"energy": -83.43983467,
"energy_per_atom": -7.585439515454545,
"energy_above_hull": null,
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"band_gap": 2.1785,
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