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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume_molar&page=136",
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"results": [
{
"id": "mp-1175680",
"created_at": "2022-09-04T14:47:57.525222Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n4.973345 0.000000 0.000000\n-0.135848 5.875395 0.000000\n-1.722973 -2.684043 9.634763\nLi Mn Co O\n9 2 5 16\ndirect\n0.253572 0.624042 0.742043 Li\n0.257179 0.138658 0.265329 Li\n0.740192 0.372816 0.733923 Li\n0.750659 0.881072 0.257793 Li\n0.249341 0.118928 0.742207 Li\n0.259808 0.627184 0.266077 Li\n0.742821 0.861342 0.734671 Li\n0.746428 0.375958 0.257957 Li\n0.500000 0.500000 0.500000 Li\n0.000226 0.750358 0.999546 Mn\n0.999774 0.249642 0.000454 Mn\n0.997040 0.255853 0.499492 Co\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.002960 0.744147 0.500508 Co\n0.500000 0.000000 0.000000 Co\n0.136526 0.934257 0.887492 O\n0.107248 0.433885 0.380498 O\n0.621527 0.704016 0.891073 O\n0.641169 0.179818 0.387105 O\n0.136775 0.432250 0.887082 O\n0.142339 0.932405 0.384695 O\n0.622937 0.205813 0.893277 O\n0.641521 0.717773 0.394093 O\n0.358479 0.282227 0.605907 O\n0.377063 0.794187 0.106723 O\n0.857661 0.067595 0.615305 O\n0.863225 0.567750 0.112918 O\n0.358831 0.820182 0.612895 O\n0.378473 0.295984 0.108927 O\n0.892752 0.566115 0.619502 O\n0.863474 0.065743 0.112508 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.264435814306485,
"density_atomic": 0.11366409165265497,
"volume": 281.5313045195355,
"volume_molar": 5.2981910755095845,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -205.23082422,
"energy_per_atom": -6.413463256875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -182.71282422,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2535521,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.543000Z",
"spacegroup": 2
},
{
"id": "mp-1247321",
"created_at": "2022-09-04T14:42:14.552143Z",
"structure_string": "Li4 Fe8 N8\n1.0\n4.960598 0.000000 0.102753\n0.000000 5.968376 0.000000\n0.157390 0.000000 5.946704\nLi Fe N\n4 8 8\ndirect\n0.368248 0.464482 0.861206 Li\n0.631752 0.964482 0.638794 Li\n0.631752 0.535518 0.138794 Li\n0.368248 0.035518 0.361206 Li\n0.100986 0.163058 0.765069 Fe\n0.899014 0.663058 0.734931 Fe\n0.899014 0.836942 0.234931 Fe\n0.100986 0.336942 0.265069 Fe\n0.682361 0.367033 0.523715 Fe\n0.317639 0.867033 0.976285 Fe\n0.317639 0.632967 0.476285 Fe\n0.682361 0.132967 0.023715 Fe\n0.198986 0.853907 0.684620 N\n0.801014 0.353907 0.815380 N\n0.801014 0.146093 0.315380 N\n0.198986 0.646093 0.184620 N\n0.299142 0.320899 0.535562 N\n0.700858 0.820899 0.964438 N\n0.700858 0.679101 0.464438 N\n0.299142 0.179101 0.035562 N\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Fe",
"N"
],
"chemical_system": "Fe-Li-N",
"density": 5.535364173020322,
"density_atomic": 0.113658422071723,
"volume": 175.96584252576727,
"volume_molar": 5.298455363210822,
"formula_full": "Li4 Fe8 N8",
"formula_reduced": "Li(FeN)2",
"formula_anonymous": "AB2C2",
"energy": -146.76271232,
"energy_per_atom": -7.338135616,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -143.87471232,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.5745331,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.642000Z",
"spacegroup": 14
},
{
"id": "mp-767746",
"created_at": "2022-09-04T14:45:09.101648Z",
"structure_string": "Li12 Mn2 Fe3 O16\n1.0\n-5.817165 0.000000 0.000000\n2.830576 5.129408 0.000000\n-0.047634 -0.287658 -9.730929\nLi Mn Fe O\n12 2 3 16\ndirect\n0.849799 0.695699 0.040878 Li\n0.988366 0.016690 0.487210 Li\n0.793213 0.139514 0.768489 Li\n0.181180 0.361717 0.263724 Li\n0.193647 0.418589 0.517504 Li\n0.846061 0.184576 0.023025 Li\n0.315043 0.146660 0.770941 Li\n0.292000 0.612384 0.767082 Li\n0.361645 0.190994 0.022015 Li\n0.611398 0.794939 0.558879 Li\n0.685481 0.362675 0.254658 Li\n0.160051 0.803840 0.559646 Li\n0.635905 0.303355 0.530140 Mn\n0.337599 0.675571 0.018673 Mn\n0.661532 0.847501 0.278231 Fe\n0.817113 0.653930 0.784496 Fe\n0.170600 0.850797 0.280349 Fe\n0.812476 0.172668 0.404226 O\n0.187163 0.363865 0.921288 O\n0.494690 0.016522 0.638603 O\n0.510488 0.550126 0.148767 O\n0.324679 0.169106 0.407893 O\n0.651032 0.821848 0.903978 O\n0.685742 0.367997 0.894508 O\n0.951607 0.473563 0.645393 O\n0.332229 0.696794 0.387573 O\n0.039116 0.553554 0.149849 O\n0.487221 0.473113 0.646155 O\n0.170442 0.818549 0.902476 O\n0.823433 0.676341 0.399517 O\n0.496730 0.001298 0.148357 O\n0.958257 0.943160 0.675023 O\n0.998905 0.002907 0.180700 O\n",
"nsites": 33,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 3.526838153032148,
"density_atomic": 0.11365302745242979,
"volume": 290.357421528541,
"volume_molar": 5.298706858047055,
"formula_full": "Li12 Mn2 Fe3 O16",
"formula_reduced": "Li12Mn2Fe3O16",
"formula_anonymous": "A2B3C12D16",
"energy": -208.9095119,
"energy_per_atom": -6.33059126969697,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -187.8135119,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.0013359,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.185000Z",
"spacegroup": 1
},
{
"id": "mp-1174771",
"created_at": "2022-09-04T14:47:38.847935Z",
"structure_string": "Li6 Mn3 Co1 O10\n1.0\n4.949472 0.051823 0.886284\n-1.991435 5.346324 1.185057\n-0.200407 0.154831 6.633569\nLi Mn Co O\n6 3 1 10\ndirect\n0.795082 0.101562 0.404225 Li\n0.986327 0.499559 0.988333 Li\n0.602269 0.701202 0.793977 Li\n0.409865 0.297559 0.201402 Li\n0.207736 0.900475 0.613231 Li\n0.598573 0.200541 0.793776 Li\n0.002126 0.999994 0.994956 Mn\n0.201904 0.399192 0.604276 Mn\n0.401716 0.803425 0.196116 Mn\n0.801164 0.598493 0.404413 Co\n0.699221 0.123020 0.103163 O\n0.916266 0.548874 0.671525 O\n0.505883 0.722003 0.508722 O\n0.269666 0.335970 0.888824 O\n0.091098 0.940910 0.278987 O\n0.923103 0.063620 0.713056 O\n0.106085 0.466693 0.322056 O\n0.709144 0.663578 0.113930 O\n0.499699 0.278323 0.497704 O\n0.273070 0.855008 0.907331 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.014059729012468,
"density_atomic": 0.11365281008963896,
"volume": 175.97453141920403,
"volume_molar": 5.298716991907447,
"formula_full": "Li6 Mn3 Co1 O10",
"formula_reduced": "Li6Mn3CoO10",
"formula_anonymous": "AB3C6D10",
"energy": -136.73764021,
"energy_per_atom": -6.8368820105,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -123.22564021,
"band_gap": 0.9559000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9977704,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:10.610000Z",
"spacegroup": 1
},
{
"id": "mp-777576",
"created_at": "2022-09-04T14:47:55.403172Z",
"structure_string": "Li32 Mn3 Cr13 O48\n1.0\n-5.023539 0.000000 0.000000\n-0.085570 -8.733606 0.000000\n1.581737 2.675183 19.253332\nLi Mn Cr O\n32 3 13 48\ndirect\n0.988294 0.168469 0.249755 Li\n0.873870 0.373986 0.375009 Li\n0.750540 0.250132 0.000040 Li\n0.744985 0.920624 0.999747 Li\n0.992660 0.167801 0.749833 Li\n0.755062 0.579286 0.499616 Li\n0.874848 0.375077 0.874960 Li\n0.753465 0.249971 0.500167 Li\n0.740634 0.920048 0.500129 Li\n0.626262 0.126430 0.124878 Li\n0.758589 0.579288 0.999620 Li\n0.510163 0.332250 0.250485 Li\n0.624247 0.124042 0.624975 Li\n0.499529 0.000985 0.250571 Li\n0.492447 0.668423 0.249977 Li\n0.506657 0.330723 0.750009 Li\n0.374547 0.874916 0.374886 Li\n0.502860 0.999817 0.750122 Li\n0.251583 0.749040 0.999428 Li\n0.489062 0.668801 0.749600 Li\n0.241001 0.420594 0.000271 Li\n0.373967 0.874596 0.875004 Li\n0.257724 0.080542 0.499998 Li\n0.250290 0.750730 0.499780 Li\n0.123606 0.623481 0.125092 Li\n0.243976 0.419674 0.500238 Li\n0.008006 0.830960 0.250473 Li\n0.253688 0.079314 0.999656 Li\n0.124472 0.624954 0.624958 Li\n0.001703 0.500133 0.249890 Li\n0.009691 0.832214 0.750338 Li\n0.000306 0.500741 0.749734 Li\n0.875102 0.041359 0.874697 Mn\n0.375817 0.541793 0.374979 Mn\n0.125209 0.291697 0.624701 Mn\n0.869026 0.705356 0.374610 Cr\n0.879249 0.038501 0.375158 Cr\n0.872154 0.712654 0.875499 Cr\n0.628421 0.797576 0.125886 Cr\n0.620242 0.461912 0.125175 Cr\n0.630686 0.788649 0.625437 Cr\n0.618159 0.455447 0.624579 Cr\n0.371185 0.212314 0.375188 Cr\n0.382217 0.539203 0.875476 Cr\n0.365924 0.207290 0.874553 Cr\n0.122362 0.952385 0.124213 Cr\n0.130016 0.287921 0.124889 Cr\n0.123361 0.962370 0.625249 Cr\n0.963894 0.103281 0.068898 O\n0.937499 0.787846 0.068752 O\n0.925304 0.426789 0.067699 O\n0.964019 0.108760 0.569290 O\n0.813001 0.962256 0.181298 O\n0.824700 0.323374 0.182286 O\n0.920867 0.786686 0.568787 O\n0.931938 0.427752 0.567686 O\n0.786141 0.646698 0.181145 O\n0.717830 0.853559 0.318881 O\n0.830147 0.964412 0.681303 O\n0.823304 0.324206 0.681894 O\n0.677199 0.534976 0.319142 O\n0.672961 0.176963 0.317567 O\n0.782740 0.643788 0.681313 O\n0.715063 0.857800 0.819534 O\n0.468105 0.607023 0.069578 O\n0.567411 0.713967 0.430718 O\n0.576251 0.073966 0.432276 O\n0.670407 0.535565 0.818690 O\n0.680033 0.177907 0.817935 O\n0.434365 0.923238 0.067106 O\n0.419499 0.285185 0.068514 O\n0.538472 0.396061 0.431177 O\n0.468824 0.603203 0.568999 O\n0.581397 0.715104 0.931608 O\n0.573440 0.073900 0.931773 O\n0.316390 0.826809 0.182934 O\n0.330304 0.464871 0.181297 O\n0.422549 0.926239 0.567752 O\n0.427250 0.284664 0.569183 O\n0.532992 0.396377 0.931457 O\n0.281476 0.143036 0.180415 O\n0.215099 0.358145 0.319358 O\n0.326985 0.823297 0.682468 O\n0.317772 0.463670 0.680870 O\n0.181461 0.677622 0.317693 O\n0.169799 0.036317 0.318516 O\n0.287685 0.145234 0.680975 O\n0.218496 0.352005 0.818769 O\n0.073445 0.574036 0.431861 O\n0.080197 0.214139 0.431091 O\n0.174251 0.675813 0.818016 O\n0.175295 0.032892 0.818770 O\n0.032230 0.893658 0.431141 O\n0.074497 0.572712 0.932334 O\n0.070543 0.213434 0.930496 O\n0.038607 0.896296 0.931224 O\n",
"nsites": 96,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 3.5990824012917098,
"density_atomic": 0.11364804240695625,
"volume": 844.7131861386463,
"volume_molar": 5.298939279953134,
"formula_full": "Li32 Mn3 Cr13 O48",
"formula_reduced": "Li32Mn3Cr13O48",
"formula_anonymous": "A3B13C32D48",
"energy": -665.92902401,
"energy_per_atom": -6.936760666770834,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -601.96202401,
"band_gap": 0.9846999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 35.2784825,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:14.861000Z",
"spacegroup": 1
},
{
"id": "mp-1175801",
"created_at": "2022-09-04T14:40:09.906355Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.861216 0.000000 0.000000\n0.278351 5.897239 0.000000\n2.859243 0.079157 8.146322\nLi Mn Co O\n9 2 5 16\ndirect\n0.869050 0.259082 0.266481 Li\n0.000000 0.000000 0.500000 Li\n0.359927 0.258609 0.266970 Li\n0.500000 0.000000 0.500000 Li\n0.640073 0.741391 0.733030 Li\n0.130950 0.740918 0.733519 Li\n0.254493 0.501864 0.993840 Li\n0.745507 0.498136 0.006160 Li\n0.000000 0.500000 0.500000 Li\n0.750144 0.998414 0.997397 Mn\n0.249856 0.001586 0.002603 Mn\n0.873005 0.744494 0.255209 Co\n0.126995 0.255506 0.744791 Co\n0.361757 0.741794 0.258778 Co\n0.500000 0.500000 0.500000 Co\n0.638243 0.258206 0.741222 Co\n0.643860 0.980982 0.232347 O\n0.736218 0.726964 0.482685 O\n0.145829 0.996831 0.239957 O\n0.267915 0.743326 0.486563 O\n0.404496 0.494809 0.739265 O\n0.884435 0.478912 0.759660 O\n0.993100 0.220099 0.994316 O\n0.496487 0.222071 0.992297 O\n0.115565 0.521088 0.240340 O\n0.263782 0.273036 0.517315 O\n0.595504 0.505191 0.260735 O\n0.732085 0.256674 0.513437 O\n0.854171 0.003169 0.760043 O\n0.356140 0.019018 0.767653 O\n0.503513 0.777929 0.007703 O\n0.006900 0.779901 0.005684 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.263735415148141,
"density_atomic": 0.113645423243141,
"volume": 281.5775513593447,
"volume_molar": 5.299061403569072,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.60848966,
"energy_per_atom": -6.519015301875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -186.09048966,
"band_gap": 0.2620999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9995952,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.383000Z",
"spacegroup": 2
},
{
"id": "mp-754360",
"created_at": "2022-09-04T14:43:21.305685Z",
"structure_string": "Li3 Fe1 O4\n1.0\n-2.018527 2.018527 4.319268\n2.018527 -2.018527 4.319268\n2.018527 2.018527 -4.319268\nLi Fe O\n3 1 4\ndirect\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 O\n0.212415 0.212415 0.000000 O\n0.500000 0.000000 0.500000 O\n0.787585 0.787585 0.000000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 3.3181631157094866,
"density_atomic": 0.1136451007458722,
"volume": 70.39458760205794,
"volume_molar": 5.299076441021797,
"formula_full": "Li3 Fe1 O4",
"formula_reduced": "Li3FeO4",
"formula_anonymous": "AB3C4",
"energy": -48.06610813,
"energy_per_atom": -6.00826351625,
"energy_above_hull": null,
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"energy_uncorrected": -43.06210813,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.369000Z",
"spacegroup": 139
},
{
"id": "mp-1175492",
"created_at": "2022-09-04T14:41:48.447621Z",
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{
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{
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"formula_full": "Mg1 Al4 H12 O12",
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.884787 0.000000 0.000000\n0.328016 5.893163 0.000000\n2.845013 0.130309 8.120580\nLi Mn Co O\n9 2 5 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.122133 0.745532 0.246326 Li\n0.500000 0.000000 0.000000 Li\n0.635145 0.745946 0.241440 Li\n0.751071 0.501196 0.497508 Li\n0.248929 0.498804 0.502492 Li\n0.364855 0.254054 0.758560 Li\n0.877867 0.254468 0.753674 Li\n0.000000 0.500000 0.000000 Li\n0.874959 0.745764 0.754963 Mn\n0.125041 0.254236 0.245037 Mn\n0.248031 0.997888 0.499308 Co\n0.371248 0.743066 0.750898 Co\n0.500000 0.500000 0.000000 Co\n0.628752 0.256934 0.249102 Co\n0.751969 0.002112 0.500692 Co\n0.757026 0.752534 0.986082 O\n0.887317 0.487436 0.252345 O\n0.279998 0.733207 0.981119 O\n0.363676 0.473256 0.245002 O\n0.521019 0.235456 0.486465 O\n0.022651 0.236495 0.488096 O\n0.118259 0.971502 0.742090 O\n0.641220 0.992584 0.735980 O\n0.242974 0.247466 0.013918 O\n0.358780 0.007416 0.264020 O\n0.720002 0.266793 0.018881 O\n0.881741 0.028498 0.257910 O\n0.977349 0.763505 0.511904 O\n0.478981 0.764544 0.513535 O\n0.636324 0.526744 0.754998 O\n0.112683 0.512564 0.747655 O\n",
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{
"id": "mp-756256",
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"structure_string": "Li4 Cu2 Ni2 O8\n1.0\n-2.885819 2.901589 4.204223\n2.885819 -2.901589 4.204223\n2.885819 2.901589 -4.204223\nLi Cu Ni O\n4 2 2 8\ndirect\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.770357 0.747178 0.023179 O\n0.227856 0.737480 0.009624 O\n0.224000 0.747178 0.476821 O\n0.227856 0.218232 0.490376 O\n0.772144 0.781768 0.509624 O\n0.776000 0.252822 0.523179 O\n0.772144 0.262520 0.990376 O\n0.229643 0.252822 0.976821 O\n",
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]
}