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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=10163",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=10161",
"results": [
{
"id": "mp-1175080",
"created_at": "2022-09-04T14:41:11.299382Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n2.982544 0.000000 0.000000\n-1.073789 7.718257 0.000000\n-0.245417 -3.717781 9.405938\nLi Mn Co O\n7 2 3 12\ndirect\n0.174437 0.338979 0.926261 Li\n0.832619 0.665945 0.580737 Li\n0.509320 0.011247 0.251709 Li\n0.822495 0.665005 0.088650 Li\n0.495414 0.997177 0.747581 Li\n0.166800 0.329739 0.403110 Li\n0.650812 0.328257 0.172694 Li\n0.998849 0.010153 0.005905 Mn\n0.677579 0.329781 0.666326 Mn\n0.319534 0.653973 0.326641 Co\n0.343300 0.667160 0.829927 Co\n0.996317 0.996011 0.497193 Co\n0.546702 0.145752 0.963103 O\n0.297158 0.503012 0.635328 O\n0.942245 0.830005 0.305078 O\n0.262679 0.523088 0.144035 O\n0.910246 0.832002 0.802482 O\n0.612616 0.163275 0.467202 O\n0.778320 0.503243 0.868819 O\n0.383288 0.830259 0.523142 O\n0.068686 0.152534 0.194626 O\n0.438763 0.848748 0.030223 O\n0.051524 0.159454 0.696828 O\n0.720298 0.515202 0.372399 O\n",
"nsites": 24,
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"Co",
"O"
],
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"volume": 216.52507939868153,
"volume_molar": 5.4331021092043175,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy": -157.07952036,
"energy_per_atom": -6.544980015,
"energy_above_hull": null,
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"energy_uncorrected": -140.58552036,
"band_gap": 0.2490000000000001,
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"updated_at": "2021-11-28T01:35:18.405000Z",
"spacegroup": 1
},
{
"id": "mp-1045499",
"created_at": "2022-09-04T14:41:36.784176Z",
"structure_string": "Y2 V4 O8\n1.0\n-3.135147 3.277477 4.462760\n3.135147 -3.277477 4.462760\n3.135147 3.277477 -4.462760\nY V O\n2 4 8\ndirect\n0.000000 0.500000 0.500000 Y\n0.500000 0.500000 0.000000 Y\n0.377221 0.127221 0.250000 V\n0.622779 0.872779 0.750000 V\n0.000000 0.500000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.763468 0.755948 0.007520 O\n0.248427 0.755948 0.492480 O\n0.755973 0.754650 0.498677 O\n0.236532 0.244052 0.992480 O\n0.244027 0.742704 0.998677 O\n0.751573 0.244052 0.507520 O\n0.755973 0.257296 0.001323 O\n0.244027 0.245350 0.501323 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"V",
"O"
],
"chemical_system": "O-V-Y",
"density": 4.6131155848381695,
"density_atomic": 0.07632502428034124,
"volume": 183.42607987359565,
"volume_molar": 7.890126228955687,
"formula_full": "Y2 V4 O8",
"formula_reduced": "YV2O4",
"formula_anonymous": "AB2C4",
"energy": -128.05917094,
"energy_per_atom": -9.147083638571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -115.76317094,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9999624,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.278000Z",
"spacegroup": 74
},
{
"id": "mp-1175532",
"created_at": "2022-09-04T14:48:17.369494Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.121692 0.000000 0.000000\n2.407494 7.264672 0.000000\n0.740642 0.953259 7.757121\nLi Mn Co O\n9 2 5 16\ndirect\n0.500949 0.560498 0.825961 Li\n0.499227 0.815222 0.062047 Li\n0.499051 0.439502 0.174039 Li\n0.500403 0.690247 0.435058 Li\n0.499597 0.309753 0.564942 Li\n0.500773 0.184778 0.937953 Li\n0.498187 0.063499 0.307968 Li\n0.501813 0.936501 0.692032 Li\n0.000000 0.500000 0.000000 Li\n0.999823 0.623238 0.627969 Mn\n0.000177 0.376762 0.372031 Mn\n0.005480 0.864108 0.880023 Co\n0.994520 0.135892 0.119977 Co\n0.999368 0.752304 0.239945 Co\n0.000000 0.000000 0.500000 Co\n0.000632 0.247696 0.760055 Co\n0.780758 0.468461 0.585203 O\n0.775424 0.713152 0.822292 O\n0.761520 0.328561 0.972655 O\n0.774350 0.590471 0.234367 O\n0.768703 0.225473 0.347659 O\n0.778565 0.090433 0.721404 O\n0.762729 0.961732 0.089655 O\n0.778291 0.839212 0.475814 O\n0.238480 0.671439 0.027345 O\n0.221435 0.909567 0.278596 O\n0.219242 0.531539 0.414797 O\n0.231297 0.774527 0.652341 O\n0.225650 0.409529 0.765633 O\n0.224576 0.286848 0.177708 O\n0.221709 0.160788 0.524186 O\n0.237271 0.038268 0.910345 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.159663890935827,
"density_atomic": 0.1108715052428243,
"volume": 288.6224005880994,
"volume_molar": 5.431639758845755,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.77736226,
"energy_per_atom": -6.524292570625,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -186.25936226,
"band_gap": 0.4281999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9999631,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:48.570000Z",
"spacegroup": 2
},
{
"id": "mp-752875",
"created_at": "2022-09-04T14:46:13.519958Z",
"structure_string": "V6 O8 F4\n1.0\n4.731632 0.000000 0.000000\n0.371334 5.610845 0.000000\n0.385786 0.670214 7.675193\nV O F\n6 8 4\ndirect\n0.500000 0.500000 0.500000 V\n0.452992 0.134479 0.818547 V\n0.547008 0.865521 0.181453 V\n0.000000 0.000000 0.500000 V\n0.993648 0.330285 0.163180 V\n0.006352 0.669715 0.836820 V\n0.802324 0.038947 0.268044 O\n0.690609 0.870161 0.936112 O\n0.692691 0.197373 0.604825 O\n0.701677 0.543103 0.265133 O\n0.307309 0.802627 0.395175 O\n0.309391 0.129839 0.063888 O\n0.298323 0.456897 0.734867 O\n0.197676 0.961053 0.731956 O\n0.802529 0.369871 0.931928 F\n0.804581 0.699428 0.603512 F\n0.197471 0.630129 0.068072 F\n0.195419 0.300572 0.396488 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.1531938659210725,
"density_atomic": 0.08833726893943579,
"volume": 203.7645063754556,
"volume_molar": 6.817214107138395,
"formula_full": "V6 O8 F4",
"formula_reduced": "V3(O2F)2",
"formula_anonymous": "A2B3C4",
"energy": -150.44887599999998,
"energy_per_atom": -8.358270888888889,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -132.904876,
"band_gap": 0.993,
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"is_magnetic": true,
"total_magnetization": 9.9999634,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:23.406000Z",
"spacegroup": 2
},
{
"id": "mp-759256",
"created_at": "2022-09-04T14:39:30.567261Z",
"structure_string": "Li6 Mn1 V3 P6 O24\n1.0\n8.560088 0.000000 0.000000\n3.971048 7.604547 0.000000\n4.015870 2.450162 7.232498\nLi Mn V P O\n6 1 3 6 24\ndirect\n0.981372 0.009354 0.997725 Li\n0.239168 0.652741 0.860488 Li\n0.528357 0.500434 0.493687 Li\n0.776514 0.341018 0.152412 Li\n0.336214 0.157979 0.773867 Li\n0.157089 0.776369 0.338524 Li\n0.150634 0.152042 0.151932 Mn\n0.858620 0.862208 0.856900 V\n0.642952 0.647728 0.638283 V\n0.354719 0.354359 0.352718 V\n0.944226 0.553850 0.249124 P\n0.556226 0.249859 0.941290 P\n0.250580 0.946001 0.551358 P\n0.745471 0.042845 0.459438 P\n0.457081 0.746271 0.036731 P\n0.042815 0.464486 0.746367 P\n0.876607 0.524022 0.682774 O\n0.669196 0.885928 0.510634 O\n0.952096 0.735900 0.082437 O\n0.483204 0.683645 0.881173 O\n0.756222 0.586889 0.407708 O\n0.951802 0.400759 0.198004 O\n0.745600 0.093005 0.925456 O\n0.574614 0.418361 0.755806 O\n0.407775 0.752499 0.580378 O\n0.804497 0.006951 0.617396 O\n0.903403 0.047956 0.272210 O\n0.626075 0.792476 0.997421 O\n0.399814 0.198252 0.954475 O\n0.100041 0.926200 0.745816 O\n0.192638 0.960393 0.401220 O\n0.591577 0.237604 0.431824 O\n0.433187 0.588643 0.229636 O\n0.270725 0.906626 0.053700 O\n0.027171 0.619245 0.802792 O\n0.233176 0.434804 0.589778 O\n0.512624 0.303156 0.107448 O\n0.045694 0.276881 0.905321 O\n0.308699 0.110280 0.508176 O\n0.111524 0.500982 0.308575 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.889472769348104,
"density_atomic": 0.08496109309619551,
"volume": 470.8037354782005,
"volume_molar": 7.088115913458824,
"formula_full": "Li6 Mn1 V3 P6 O24",
"formula_reduced": "Li6MnV3(PO4)6",
"formula_anonymous": "AB3C6D6E24",
"energy": -305.28977199,
"energy_per_atom": -7.632244299750001,
"energy_above_hull": null,
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"energy_uncorrected": -282.03377199,
"band_gap": 1.0054000000000003,
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"updated_at": "2021-11-28T01:34:28.900000Z",
"spacegroup": 1
},
{
"id": "mp-1175996",
"created_at": "2022-09-04T14:42:56.710371Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.801889 0.000000 0.000000\n-1.473424 -6.484774 0.000000\n-1.386085 0.295336 -7.633721\nLi Mn Co O\n9 2 5 16\ndirect\n0.378730 0.378743 0.134150 Li\n0.622338 0.124484 0.378391 Li\n0.624390 0.628924 0.872884 Li\n0.881698 0.382750 0.135405 Li\n0.868378 0.869198 0.617535 Li\n0.124678 0.623797 0.875041 Li\n0.126802 0.123446 0.379452 Li\n0.371215 0.867227 0.609626 Li\n0.252521 0.748008 0.250801 Li\n0.003333 0.998800 0.004319 Mn\n0.501998 0.998458 0.004281 Mn\n0.491350 0.504155 0.491938 Co\n0.753673 0.253906 0.744406 Co\n0.747906 0.747715 0.251753 Co\n0.998947 0.512733 0.491006 Co\n0.256493 0.258166 0.744271 Co\n0.305762 0.058457 0.164969 O\n0.574677 0.800318 0.426980 O\n0.564136 0.288955 0.929228 O\n0.808017 0.065477 0.165244 O\n0.793801 0.547526 0.679975 O\n0.067123 0.290928 0.928887 O\n0.042029 0.792878 0.431917 O\n0.303672 0.554426 0.683999 O\n0.461550 0.717506 0.069550 O\n0.688350 0.435760 0.317353 O\n0.699295 0.951073 0.833105 O\n0.932814 0.717699 0.071413 O\n0.932786 0.199175 0.572411 O\n0.196617 0.942877 0.837131 O\n0.198221 0.433254 0.326636 O\n0.426701 0.183179 0.575943 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.1801101952323085,
"density_atomic": 0.11141648017191497,
"volume": 287.2106527743848,
"volume_molar": 5.405071808683844,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.25896208,
"energy_per_atom": -6.508092565,
"energy_above_hull": null,
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"energy_uncorrected": -185.74096208,
"band_gap": 0.4500999999999999,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:35:59.723000Z",
"spacegroup": 1
},
{
"id": "mp-1175705",
"created_at": "2022-09-04T14:42:19.839352Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n4.812236 -0.117079 1.802460\n2.101297 9.854100 -2.309549\n-0.243645 -0.146090 5.823328\nLi Mn Co O\n9 2 5 16\ndirect\n0.499273 0.122157 0.928349 Li\n0.505251 0.371838 0.312317 Li\n0.498115 0.620509 0.691469 Li\n0.494220 0.881489 0.081443 Li\n0.497334 0.123948 0.443550 Li\n0.502181 0.372837 0.807496 Li\n0.498740 0.623000 0.181796 Li\n0.505242 0.884673 0.556072 Li\n0.998391 0.002141 0.498118 Li\n0.992125 0.002196 0.003331 Mn\n0.004626 0.752261 0.627091 Mn\n0.998557 0.248777 0.370797 Co\n0.008003 0.498233 0.750636 Co\n0.003339 0.751022 0.132548 Co\n0.997690 0.250344 0.865038 Co\n0.999464 0.500225 0.250403 Co\n0.226340 0.065818 0.737639 O\n0.201829 0.312530 0.094144 O\n0.233383 0.569062 0.495511 O\n0.219028 0.813705 0.851245 O\n0.213189 0.066078 0.206226 O\n0.243144 0.323279 0.596911 O\n0.225614 0.568153 0.999994 O\n0.225345 0.803475 0.347543 O\n0.750377 0.173451 0.141227 O\n0.777580 0.435626 0.506707 O\n0.791239 0.683703 0.905631 O\n0.770639 0.930050 0.259893 O\n0.785627 0.197895 0.648959 O\n0.770511 0.434258 0.009597 O\n0.787781 0.689594 0.412607 O\n0.775823 0.927675 0.785709 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.292955112963038,
"density_atomic": 0.11442424383163555,
"volume": 279.66101350938334,
"volume_molar": 5.262993713868025,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -209.5168659,
"energy_per_atom": -6.547402059375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -186.9988659,
"band_gap": 0.6844999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9999647,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.162000Z",
"spacegroup": 1
},
{
"id": "mp-1931566",
"created_at": "2022-09-04T14:46:20.282415Z",
"structure_string": "Mn2 Zn2 F8\n1.0\n4.786036 -0.018309 -2.249908\n-1.034054 4.582203 -2.236057\n0.035908 0.058690 6.473659\nMn Zn F\n2 2 8\ndirect\n0.001622 0.502854 0.005019 Mn\n0.500040 0.998708 0.999317 Mn\n0.240610 0.244877 0.503156 Zn\n0.761015 0.756035 0.503493 Zn\n0.936775 0.353438 0.258476 F\n0.676563 0.088479 0.756183 F\n0.070488 0.648661 0.753127 F\n0.163839 0.137333 0.739608 F\n0.328681 0.919115 0.255561 F\n0.432261 0.415765 0.240580 F\n0.824141 0.845699 0.247639 F\n0.567568 0.585269 0.746049 F\n",
"nsites": 12,
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"elements": [
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"Zn",
"F"
],
"chemical_system": "F-Mn-Zn",
"density": 4.560360663328358,
"density_atomic": 0.08392495211581494,
"volume": 142.98488944551573,
"volume_molar": 7.175626089949452,
"formula_full": "Mn2 Zn2 F8",
"formula_reduced": "MnZnF4",
"formula_anonymous": "ABC4",
"energy": -68.72796767,
"energy_per_atom": -5.7273306391666665,
"energy_above_hull": null,
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"energy_uncorrected": -61.69596767,
"band_gap": 3.0349,
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"updated_at": "2021-11-28T01:37:23.753000Z",
"spacegroup": 5
},
{
"id": "mp-1312602",
"created_at": "2022-09-04T14:39:17.432199Z",
"structure_string": "Li4 V6 Sn2 O16\n1.0\n3.002098 -5.205833 -0.000418\n6.167648 0.094465 0.066643\n-3.002794 -1.735171 9.864481\nLi V Sn O\n4 6 2 16\ndirect\n0.314213 0.365797 0.562412 Li\n0.820479 0.365717 0.061986 Li\n0.185755 0.634219 0.937615 Li\n0.679495 0.634309 0.438055 Li\n0.749974 0.000002 0.749906 V\n0.249960 0.999978 0.749911 V\n0.750073 0.000066 0.250113 V\n0.250118 0.999946 0.249997 V\n0.995442 0.999517 0.499906 V\n0.504558 0.000439 0.000136 V\n0.749978 0.500047 0.750026 Sn\n0.250016 0.500007 0.250025 Sn\n0.086220 0.799702 0.637667 O\n0.614488 0.799911 0.137597 O\n0.413915 0.199946 0.862142 O\n0.885546 0.200228 0.362500 O\n0.873325 0.233710 0.859087 O\n0.391749 0.231196 0.358676 O\n0.649583 0.231474 0.632639 O\n0.158030 0.232379 0.128788 O\n0.112009 0.231023 0.630011 O\n0.619367 0.232320 0.133432 O\n0.387823 0.769166 0.869939 O\n0.880646 0.767609 0.366648 O\n0.850413 0.768585 0.867328 O\n0.341945 0.767628 0.371242 O\n0.626642 0.766256 0.640850 O\n0.108239 0.768823 0.141365 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"V",
"Sn",
"O"
],
"chemical_system": "Li-O-Sn-V",
"density": 4.27827903329629,
"density_atomic": 0.08724996893208115,
"volume": 320.91701971603356,
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