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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=10143",
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"results": [
{
"id": "mp-607953",
"created_at": "2022-09-04T14:43:24.397187Z",
"structure_string": "Fe2 Se2 Br14\n1.0\n6.753771 0.000000 0.000000\n0.000000 6.861730 0.000000\n0.000000 2.968186 14.433064\nFe Se Br\n2 2 14\ndirect\n0.501495 0.446403 0.140185 Fe\n0.498505 0.446403 0.640185 Fe\n0.915049 0.153366 0.303592 Se\n0.084951 0.153366 0.803592 Se\n0.154884 0.472203 0.133279 Br\n0.874589 0.278225 0.907409 Br\n0.309171 0.958489 0.910168 Br\n0.690829 0.958489 0.410168 Br\n0.388441 0.119343 0.641140 Br\n0.376849 0.516242 0.781061 Br\n0.611559 0.119343 0.141140 Br\n0.891266 0.894051 0.763388 Br\n0.642679 0.664978 0.012578 Br\n0.623151 0.516242 0.281061 Br\n0.357321 0.664978 0.512578 Br\n0.108734 0.894051 0.263388 Br\n0.125411 0.278225 0.407409 Br\n0.845116 0.472203 0.633279 Br\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"Se",
"Br"
],
"chemical_system": "Br-Fe-Se",
"density": 3.4465397481452755,
"density_atomic": 0.026911258728362756,
"volume": 668.8650345823157,
"volume_molar": 22.377774376094294,
"formula_full": "Fe2 Se2 Br14",
"formula_reduced": "FeSeBr7",
"formula_anonymous": "ABC7",
"energy": -60.00942949,
"energy_per_atom": -3.333857193888889,
"energy_above_hull": null,
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"energy_uncorrected": -52.53342949,
"band_gap": 0.0863999999999999,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:36:19.317000Z",
"spacegroup": 7
},
{
"id": "mp-8716",
"created_at": "2022-09-04T14:47:14.950634Z",
"structure_string": "K4 Mn2 Se4\n1.0\n-3.286628 3.575491 6.666737\n3.286628 -3.575491 6.666737\n3.286628 3.575491 -6.666737\nK Mn Se\n4 2 4\ndirect\n0.478893 0.145405 0.333487 K\n0.521107 0.854595 0.666513 K\n0.188082 0.354595 0.833487 K\n0.811918 0.645405 0.166513 K\n0.000000 0.250000 0.250000 Mn\n0.000000 0.750000 0.750000 Mn\n0.090423 0.895302 0.195121 Se\n0.909577 0.104698 0.804879 Se\n0.299818 0.604698 0.695121 Se\n0.700182 0.395302 0.304879 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Mn",
"Se"
],
"chemical_system": "K-Mn-Se",
"density": 3.0845660460631072,
"density_atomic": 0.031911002346875515,
"volume": 313.37154161749874,
"volume_molar": 18.871675337987753,
"formula_full": "K4 Mn2 Se4",
"formula_reduced": "K2MnSe2",
"formula_anonymous": "AB2C2",
"energy": -48.02145603,
"energy_per_atom": -4.8021456030000005,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -46.13345603,
"band_gap": 0.9895,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9996287,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:00.613000Z",
"spacegroup": 72
},
{
"id": "mp-1175032",
"created_at": "2022-09-04T14:43:05.178622Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n-2.980975 0.000000 0.000000\n1.217320 7.507148 0.000000\n-0.219450 -2.997952 -9.685940\nLi Mn Co O\n7 2 3 12\ndirect\n0.823951 0.661752 0.748551 Li\n0.174603 0.336333 0.245848 Li\n0.514428 0.011565 0.754738 Li\n0.166011 0.331852 0.759661 Li\n0.492757 0.997029 0.251027 Li\n0.831979 0.668579 0.246050 Li\n0.654965 0.327067 0.991325 Li\n0.003993 0.006632 0.999752 Mn\n0.331385 0.666866 0.499519 Mn\n0.005756 0.001297 0.500126 Co\n0.330956 0.655188 0.003974 Co\n0.659606 0.328536 0.499234 Co\n0.439461 0.844216 0.898394 O\n0.712177 0.493511 0.379930 O\n0.070442 0.150891 0.881696 O\n0.736120 0.520794 0.886980 O\n0.090298 0.164203 0.385793 O\n0.388634 0.837751 0.386385 O\n0.242845 0.501346 0.615436 O\n0.554157 0.143989 0.109169 O\n0.946285 0.835854 0.613857 O\n0.621286 0.166916 0.614887 O\n0.941235 0.828148 0.110492 O\n0.266671 0.519683 0.117176 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.039197691119962,
"density_atomic": 0.11072256944949496,
"volume": 216.75797553584925,
"volume_molar": 5.43894599803967,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy": -156.92316627,
"energy_per_atom": -6.53846526125,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -140.42916627,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9996312,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.893000Z",
"spacegroup": 1
},
{
"id": "mp-1100604",
"created_at": "2022-09-04T14:41:33.787665Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.895166 0.000000 0.000000\n0.000000 10.272594 0.000000\n0.000000 3.606324 9.680278\nLi Mn Co O\n9 2 5 16\ndirect\n0.500000 0.008462 0.735833 Li\n0.500000 0.996305 0.260987 Li\n0.000000 0.740277 0.748203 Li\n0.000000 0.741612 0.259926 Li\n0.500000 0.503425 0.738631 Li\n0.500000 0.494794 0.258837 Li\n0.000000 0.253622 0.730165 Li\n0.000000 0.264946 0.264072 Li\n0.500000 0.248323 0.503096 Li\n0.000000 0.000540 0.999812 Mn\n0.000000 0.006277 0.503251 Mn\n0.500000 0.748312 0.999381 Co\n0.500000 0.744524 0.499547 Co\n0.000000 0.498899 0.000078 Co\n0.000000 0.483498 0.493303 Co\n0.500000 0.252040 0.000838 Co\n0.500000 0.106195 0.886347 O\n0.500000 0.111306 0.387389 O\n0.000000 0.869206 0.899149 O\n0.000000 0.876995 0.389696 O\n0.500000 0.617523 0.883087 O\n0.500000 0.625561 0.383532 O\n0.000000 0.364612 0.892341 O\n0.000000 0.384754 0.378404 O\n0.500000 0.885908 0.612014 O\n0.500000 0.892983 0.113894 O\n0.000000 0.635610 0.613735 O\n0.000000 0.638164 0.107752 O\n0.500000 0.383958 0.619865 O\n0.500000 0.382940 0.118370 O\n0.000000 0.111434 0.616012 O\n0.000000 0.126995 0.102451 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.170103664600862,
"density_atomic": 0.11114976652810722,
"volume": 287.89984000468354,
"volume_molar": 5.41804175403026,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.43788893,
"energy_per_atom": -6.5136840290625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -185.91988893,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9996378,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.785000Z",
"spacegroup": 6
},
{
"id": "mp-505034",
"created_at": "2022-09-04T14:46:12.511171Z",
"structure_string": "Cs4 Mn2 S4\n1.0\n-3.264631 3.729649 6.958195\n3.264631 -3.729649 6.958195\n3.264631 3.729649 -6.958195\nCs Mn S\n4 2 4\ndirect\n0.809322 0.148706 0.660616 Cs\n0.190678 0.851293 0.339384 Cs\n0.488091 0.648706 0.839384 Cs\n0.511909 0.351293 0.160616 Cs\n0.000000 0.750000 0.750000 Mn\n0.000000 0.250000 0.250000 Mn\n0.080154 0.406578 0.673576 S\n0.919846 0.593422 0.326424 S\n0.733002 0.906578 0.826424 S\n0.266998 0.093422 0.173576 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cs",
"Mn",
"S"
],
"chemical_system": "Cs-Mn-S",
"density": 3.771764788824525,
"density_atomic": 0.029508107095207375,
"volume": 338.88991820909354,
"volume_molar": 20.408427896000486,
"formula_full": "Cs4 Mn2 S4",
"formula_reduced": "Cs2MnS2",
"formula_anonymous": "AB2C2",
"energy": -49.96554047,
"energy_per_atom": -4.996554047,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -47.95354047,
"band_gap": 1.1924,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.999639,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:25.676000Z",
"spacegroup": 72
},
{
"id": "mp-549711",
"created_at": "2022-09-04T14:42:28.519055Z",
"structure_string": "Ca2 Fe2 Cl2 O4\n1.0\n1.939585 5.093421 0.000000\n-1.939585 5.093421 0.000000\n0.000000 2.168139 8.561938\nCa Fe Cl O\n2 2 2 4\ndirect\n0.392413 0.392413 0.792001 Ca\n0.607587 0.607587 0.207999 Ca\n0.860752 0.860752 0.501972 Fe\n0.139248 0.139248 0.498028 Fe\n0.665405 0.665405 0.876997 Cl\n0.334595 0.334595 0.123003 Cl\n0.314731 0.314731 0.557694 O\n0.975809 0.975809 0.661788 O\n0.024191 0.024191 0.338212 O\n0.685269 0.685269 0.442306 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ca",
"Fe",
"Cl",
"O"
],
"chemical_system": "Ca-Cl-Fe-O",
"density": 3.2073303687874577,
"density_atomic": 0.05911252822141368,
"volume": 169.168876731912,
"volume_molar": 10.18758787890663,
"formula_full": "Ca2 Fe2 Cl2 O4",
"formula_reduced": "CaFeClO2",
"formula_anonymous": "ABCD2",
"energy": -68.18034057,
"energy_per_atom": -6.818034057,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -59.69234057,
"band_gap": 0.6341000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9996457,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:48.243000Z",
"spacegroup": 12
},
{
"id": "mp-722867",
"created_at": "2022-09-04T14:48:29.812470Z",
"structure_string": "Ca6 Cu10 Si18 O52\n1.0\n5.120974 5.051973 -0.135425\n-5.120974 5.051973 0.135425\n0.017651 0.000000 20.206722\nCa Cu Si O\n6 10 18 52\ndirect\n0.273804 0.273804 0.750000 Ca\n0.726196 0.726196 0.250000 Ca\n0.711020 0.762415 0.929849 Ca\n0.762415 0.711020 0.570151 Ca\n0.288980 0.237585 0.070151 Ca\n0.237585 0.288980 0.429849 Ca\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.973929 0.510478 0.839548 Cu\n0.510478 0.973929 0.660452 Cu\n0.026071 0.489522 0.160452 Cu\n0.489522 0.026071 0.339548 Cu\n0.960976 0.017691 0.828629 Cu\n0.017691 0.960976 0.671371 Cu\n0.039024 0.982309 0.171371 Cu\n0.982309 0.039024 0.328629 Cu\n0.243281 0.247770 0.911476 Si\n0.247770 0.243281 0.588524 Si\n0.756719 0.752230 0.088524 Si\n0.752230 0.756719 0.411476 Si\n0.654650 0.256099 0.906903 Si\n0.256099 0.654650 0.593097 Si\n0.345350 0.743901 0.093097 Si\n0.743901 0.345350 0.406903 Si\n0.693139 0.237233 0.195702 Si\n0.237233 0.693139 0.304298 Si\n0.306861 0.762767 0.804298 Si\n0.762767 0.306861 0.695702 Si\n0.280199 0.280199 0.250000 Si\n0.719801 0.719801 0.750000 Si\n0.750312 0.180548 0.051279 Si\n0.180548 0.750312 0.448721 Si\n0.249688 0.819452 0.948721 Si\n0.819452 0.249688 0.551279 Si\n0.442682 0.264237 0.871663 O\n0.264237 0.442682 0.628337 O\n0.557318 0.735763 0.128337 O\n0.735763 0.557318 0.371663 O\n0.082911 0.257430 0.852212 O\n0.257430 0.082911 0.647788 O\n0.917089 0.742570 0.147788 O\n0.742570 0.917089 0.352212 O\n0.152097 0.235075 0.183941 O\n0.235075 0.152097 0.316059 O\n0.847903 0.764925 0.816059 O\n0.764925 0.847903 0.683941 O\n0.229661 0.401211 0.968033 O\n0.401211 0.229661 0.531967 O\n0.770339 0.598789 0.031967 O\n0.598789 0.770339 0.468033 O\n0.805564 0.430078 0.209389 O\n0.430078 0.805564 0.290611 O\n0.194436 0.569922 0.790611 O\n0.569922 0.194436 0.709389 O\n0.763456 0.452345 0.894583 O\n0.452345 0.763456 0.605417 O\n0.236544 0.547655 0.105417 O\n0.547655 0.236544 0.394583 O\n0.806142 0.049310 0.215500 O\n0.049310 0.806142 0.284500 O\n0.193858 0.950690 0.784500 O\n0.950690 0.193858 0.715500 O\n0.611809 0.234601 0.988165 O\n0.234601 0.611809 0.511835 O\n0.388191 0.765399 0.011835 O\n0.765399 0.388191 0.488165 O\n0.619606 0.227646 0.115969 O\n0.227646 0.619606 0.384031 O\n0.380394 0.772354 0.884031 O\n0.772354 0.380394 0.615969 O\n0.501122 0.244449 0.238116 O\n0.244449 0.501122 0.261884 O\n0.498878 0.755551 0.761884 O\n0.755551 0.498878 0.738116 O\n0.956312 0.270871 0.054201 O\n0.270871 0.956312 0.445799 O\n0.043688 0.729129 0.945799 O\n0.729129 0.043688 0.554201 O\n0.233765 0.047371 0.952133 O\n0.047371 0.233765 0.547867 O\n0.766235 0.952629 0.047867 O\n0.952629 0.766235 0.452133 O\n0.066391 0.753317 0.614968 O\n0.753317 0.066391 0.885032 O\n0.933609 0.246683 0.385032 O\n0.246683 0.933609 0.114968 O\n",
"nsites": 86,
"nelements": 4,
"elements": [
"Ca",
"Cu",
"Si",
"O"
],
"chemical_system": "Ca-Cu-O-Si",
"density": 3.5153335675115502,
"density_atomic": 0.08225247314393347,
"volume": 1045.5612665835438,
"volume_molar": 7.3215315355464945,
"formula_full": "Ca6 Cu10 Si18 O52",
"formula_reduced": "Ca3Cu5Si9O26",
"formula_anonymous": "A3B5C9D26",
"energy": -643.8202571200001,
"energy_per_atom": -7.486282059534885,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -608.09625712,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9996466,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:56.609000Z",
"spacegroup": 15
},
{
"id": "mp-1041103",
"created_at": "2022-09-04T14:42:44.888145Z",
"structure_string": "Ho2 Mg2 Mo4 O12\n1.0\n5.640764 0.000000 0.000000\n0.000000 5.391300 0.000000\n0.000000 5.345844 7.958284\nHo Mg Mo O\n2 2 4 12\ndirect\n0.188671 0.738273 0.250829 Ho\n0.811329 0.738273 0.750829 Ho\n0.708844 0.254494 0.248997 Mg\n0.291156 0.254494 0.748997 Mg\n0.746192 0.000571 0.999961 Mo\n0.743514 0.500055 0.500289 Mo\n0.253808 0.000571 0.499961 Mo\n0.256486 0.500055 0.000289 Mo\n0.662694 0.124089 0.747158 O\n0.433616 0.740182 0.070608 O\n0.439796 0.395289 0.431890 O\n0.938071 0.599016 0.069538 O\n0.928839 0.259656 0.427089 O\n0.184488 0.888386 0.753617 O\n0.337306 0.124089 0.247158 O\n0.566384 0.740182 0.570608 O\n0.560204 0.395289 0.931890 O\n0.071161 0.259656 0.927089 O\n0.061929 0.599016 0.569538 O\n0.815512 0.888386 0.253617 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ho",
"Mg",
"Mo",
"O"
],
"chemical_system": "Ho-Mg-Mo-O",
"density": 6.5470900722191185,
"density_atomic": 0.08263787357168127,
"volume": 242.0197802240363,
"volume_molar": 7.287385916067055,
"formula_full": "Ho2 Mg2 Mo4 O12",
"formula_reduced": "HoMg(MoO3)2",
"formula_anonymous": "ABC2D6",
"energy": -167.79788257,
"energy_per_atom": -8.3898941285,
"energy_above_hull": null,
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"energy_uncorrected": -146.74588257,
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"updated_at": "2021-11-28T01:35:55.286000Z",
"spacegroup": 7
},
{
"id": "mp-554248",
"created_at": "2022-09-04T14:46:03.365104Z",
"structure_string": "K2 Na2 Mn2 Si8 O20\n1.0\n7.066901 0.000000 0.000000\n-3.432140 7.578140 0.000000\n-1.687512 -3.777380 9.225894\nK Na Mn Si O\n2 2 2 8 20\ndirect\n0.157679 0.799198 0.989651 K\n0.842321 0.200802 0.010349 K\n0.836087 0.862445 0.589335 Na\n0.163913 0.137555 0.410665 Na\n0.658116 0.106438 0.407107 Mn\n0.341884 0.893562 0.592893 Mn\n0.292855 0.176513 0.868189 Si\n0.463893 0.300137 0.211384 Si\n0.062967 0.363896 0.730373 Si\n0.937033 0.636104 0.269627 Si\n0.536107 0.699863 0.788616 Si\n0.707145 0.823487 0.131811 Si\n0.371105 0.638352 0.268568 Si\n0.628895 0.361648 0.731432 Si\n0.110104 0.576212 0.206906 O\n0.876788 0.738293 0.161876 O\n0.535451 0.324502 0.865889 O\n0.624785 0.552459 0.715767 O\n0.577568 0.856684 0.718607 O\n0.497996 0.175958 0.583407 O\n0.375215 0.447541 0.284233 O\n0.323362 0.187237 0.036164 O\n0.968371 0.225594 0.563555 O\n0.889896 0.423788 0.793094 O\n0.722940 0.426883 0.227557 O\n0.123212 0.261707 0.838124 O\n0.676638 0.812763 0.963836 O\n0.502004 0.824042 0.416593 O\n0.803290 0.038001 0.241690 O\n0.196710 0.961999 0.758310 O\n0.464549 0.675498 0.134111 O\n0.031629 0.774406 0.436445 O\n0.277060 0.573117 0.772443 O\n0.422432 0.143316 0.281393 O\n",
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