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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-total_magnetization&page=12169",
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"results": [
{
"id": "mp-758963",
"created_at": "2022-09-04T14:47:29.084853Z",
"structure_string": "Li4 Cr4 Co2 O12\n1.0\n0.649622 2.841904 -0.004659\n-2.932327 0.653137 11.353381\n6.174239 -2.910631 -0.023619\nLi Cr Co O\n4 4 2 12\ndirect\n0.019103 0.265547 0.039826 Li\n0.020095 0.764989 0.039277 Li\n0.314216 0.067930 0.627145 Li\n0.313280 0.567998 0.627316 Li\n0.007602 0.999474 0.007266 Cr\n0.331326 0.833664 0.659744 Cr\n0.002020 0.499643 0.006693 Cr\n0.326707 0.333750 0.659117 Cr\n0.666611 0.666433 0.333080 Co\n0.664879 0.166518 0.332954 Co\n0.525785 0.123293 0.038167 O\n0.518718 0.623259 0.037943 O\n0.809595 0.210227 0.628448 O\n0.814603 0.710218 0.628595 O\n0.164376 0.273746 0.345817 O\n0.174574 0.773737 0.346261 O\n0.166777 0.059872 0.321499 O\n0.159106 0.559616 0.320867 O\n0.844880 0.455844 0.693325 O\n0.849499 0.955722 0.694182 O\n0.483758 0.377625 0.972499 O\n0.489161 0.877567 0.973312 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Co",
"O"
],
"chemical_system": "Co-Cr-Li-O",
"density": 4.1097424073769515,
"density_atomic": 0.09979477008532803,
"volume": 220.4524343428942,
"volume_molar": 6.034525411352577,
"formula_full": "Li4 Cr4 Co2 O12",
"formula_reduced": "Li2Cr2CoO6",
"formula_anonymous": "AB2C2D6",
"energy": -165.08107579999998,
"energy_per_atom": -7.5036852636363625,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:07.955000Z",
"spacegroup": 12
},
{
"id": "mp-644245",
"created_at": "2022-09-04T14:47:32.246044Z",
"structure_string": "Na4 P2 H6 O10\n1.0\n5.684897 0.000000 0.000000\n-1.168555 5.648046 0.000000\n-2.562517 -2.556782 7.192836\nNa P H O\n4 2 6 10\ndirect\n0.483613 0.334061 0.785627 Na\n0.516387 0.665939 0.214373 Na\n0.263696 0.722558 0.563475 Na\n0.736304 0.277442 0.436525 Na\n0.128623 0.086847 0.293381 P\n0.871377 0.913153 0.706619 P\n0.250174 0.139430 0.060212 H\n0.749826 0.860570 0.939788 H\n0.198080 0.713912 0.882573 H\n0.801920 0.286088 0.117427 H\n0.057937 0.425939 0.844717 H\n0.942063 0.574061 0.155283 H\n0.192830 0.287341 0.479206 O\n0.807170 0.712659 0.520794 O\n0.835053 0.011997 0.166290 O\n0.164947 0.988003 0.833710 O\n0.219986 0.857699 0.310089 O\n0.780014 0.142301 0.689911 O\n0.297948 0.230678 0.196779 O\n0.702052 0.769322 0.803221 O\n0.230119 0.557847 0.902694 O\n0.769881 0.442153 0.097306 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Na",
"P",
"H",
"O"
],
"chemical_system": "H-Na-O-P",
"density": 2.3004237389227193,
"density_atomic": 0.09525805218808903,
"volume": 230.95160455895672,
"volume_molar": 6.321923051826795,
"formula_full": "Na4 P2 H6 O10",
"formula_reduced": "Na2PH3O5",
"formula_anonymous": "AB2C3D5",
"energy": -131.27866378,
"energy_per_atom": -5.967211989999999,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -124.40866378,
"band_gap": 4.8148,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:10.899000Z",
"spacegroup": 2
},
{
"id": "mp-1521661",
"created_at": "2022-09-04T14:43:54.670302Z",
"structure_string": "K4 Ba4 Nd4 W4 O24\n1.0\n8.613296 0.000000 0.000000\n0.000000 8.596036 0.000000\n0.000000 0.000000 8.608210\nK Ba Nd W O\n4 4 4 4 24\ndirect\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n-0.000000 0.500000 0.000000 K\n-0.000000 0.000000 0.500000 K\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.000000 Ba\n-0.000000 0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.750000 0.750000 0.750000 Nd\n0.250000 0.250000 0.750000 Nd\n0.250000 0.750000 0.250000 Nd\n0.750000 0.250000 0.250000 Nd\n0.250000 0.250000 0.250000 W\n0.750000 0.750000 0.250000 W\n0.750000 0.250000 0.750000 W\n0.250000 0.750000 0.750000 W\n0.023171 0.232638 0.266296 O\n0.976829 0.767362 0.266296 O\n0.976829 0.232638 0.733704 O\n0.023171 0.767362 0.733704 O\n0.265727 0.022357 0.226176 O\n0.265727 0.977643 0.773824 O\n0.734273 0.977643 0.226176 O\n0.734273 0.022357 0.773824 O\n0.231689 0.260274 0.023042 O\n0.768311 0.260274 0.976958 O\n0.231689 0.739726 0.976958 O\n0.768311 0.739726 0.023042 O\n0.476829 0.267362 0.233704 O\n0.523171 0.732638 0.233704 O\n0.523171 0.267362 0.766296 O\n0.476829 0.732638 0.766296 O\n0.234273 0.477643 0.273824 O\n0.234273 0.522357 0.726176 O\n0.765727 0.522357 0.273824 O\n0.765727 0.477643 0.726176 O\n0.268311 0.239726 0.476958 O\n0.731689 0.239726 0.523042 O\n0.268311 0.760274 0.523042 O\n0.731689 0.760274 0.476958 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"K",
"Ba",
"Nd",
"W",
"O"
],
"chemical_system": "Ba-K-Nd-O-W",
"density": 6.258126324036659,
"density_atomic": 0.06275950944221337,
"volume": 637.3536115165227,
"volume_molar": 9.59558290611714,
"formula_full": "K4 Ba4 Nd4 W4 O24",
"formula_reduced": "KBaNdWO6",
"formula_anonymous": "ABCDE6",
"energy": -317.56904769,
"energy_per_atom": -7.93922619225,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -283.32904769,
"band_gap": 2.7892,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.786000Z",
"spacegroup": 48
},
{
"id": "mp-1228743",
"created_at": "2022-09-04T14:43:56.744646Z",
"structure_string": "Ba4 Mn2 Cu2 P8 O28\n1.0\n-0.006280 -0.019273 7.552615\n5.598014 7.514710 -1.275687\n-5.138961 7.462188 -2.132084\nBa Mn Cu P O\n4 2 2 8 28\ndirect\n0.775349 0.362926 0.568471 Ba\n0.775260 0.862927 0.068418 Ba\n0.222411 0.640072 0.425622 Ba\n0.222366 0.140076 0.925608 Ba\n0.615955 0.605899 0.797977 Mn\n0.615460 0.105850 0.297931 Mn\n0.354358 0.398325 0.203019 Cu\n0.353362 0.898390 0.702739 Cu\n0.731989 0.754038 0.456560 P\n0.731969 0.254028 0.956577 P\n0.266040 0.243059 0.539678 P\n0.266063 0.743012 0.039706 P\n0.816607 0.943085 0.660040 P\n0.816584 0.443063 0.160063 P\n0.187251 0.058333 0.345515 P\n0.187365 0.558265 0.845573 P\n0.851502 0.678909 0.395495 O\n0.851503 0.178875 0.895547 O\n0.158689 0.321886 0.606244 O\n0.158722 0.821769 0.106332 O\n0.619026 0.874025 0.324120 O\n0.619073 0.374033 0.824116 O\n0.378202 0.118657 0.669882 O\n0.378379 0.618693 0.169896 O\n0.869653 0.836646 0.570450 O\n0.869623 0.336628 0.070489 O\n0.121633 0.161256 0.429327 O\n0.121684 0.661150 0.929413 O\n0.285392 0.925898 0.477223 O\n0.285614 0.425887 0.977304 O\n0.731436 0.081485 0.531391 O\n0.731504 0.581494 0.031441 O\n0.329969 0.164246 0.249871 O\n0.330009 0.664289 0.749873 O\n0.673111 0.846391 0.755093 O\n0.673004 0.346414 0.255076 O\n0.608343 0.635985 0.556783 O\n0.608298 0.135986 0.056782 O\n0.388330 0.358234 0.433784 O\n0.388164 0.858253 0.933647 O\n0.990892 0.979476 0.761497 O\n0.990841 0.479416 0.261590 O\n0.024451 0.011365 0.241855 O\n0.024561 0.511303 0.741980 O\n",
"nsites": 44,
"nelements": 5,
"elements": [
"Ba",
"Mn",
"Cu",
"P",
"O"
],
"chemical_system": "Ba-Cu-Mn-O-P",
"density": 4.055379396860451,
"density_atomic": 0.07250574071946884,
"volume": 606.8485000413955,
"volume_molar": 8.305743380100338,
"formula_full": "Ba4 Mn2 Cu2 P8 O28",
"formula_reduced": "Ba2MnCu(P2O7)2",
"formula_anonymous": "ABC2D4E14",
"energy": -338.19794677,
"energy_per_atom": -7.6863169720454545,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -315.62594677,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.921000Z",
"spacegroup": 1
},
{
"id": "mp-776285",
"created_at": "2022-09-04T14:43:40.006328Z",
"structure_string": "Li8 Cr4 P4 C4 O28\n1.0\n0.471073 5.047799 0.000284\n0.000195 0.000343 6.410003\n16.672551 0.212973 0.000516\nLi Cr P C O\n8 4 4 4 28\ndirect\n0.781477 0.245653 0.049654 Li\n0.781592 0.245492 0.549686 Li\n0.218623 0.745570 0.450349 Li\n0.218598 0.745496 0.950342 Li\n0.260711 0.460393 0.140674 Li\n0.260853 0.460272 0.640638 Li\n0.739190 0.960352 0.359356 Li\n0.739277 0.960295 0.859349 Li\n0.795836 0.753059 0.662180 Cr\n0.203983 0.253186 0.837922 Cr\n0.796050 0.753553 0.162051 Cr\n0.203629 0.253479 0.337920 Cr\n0.728692 0.249671 0.209184 P\n0.728784 0.249407 0.709208 P\n0.271161 0.749662 0.290767 P\n0.271225 0.749295 0.790814 P\n0.682450 0.752566 0.022650 C\n0.682558 0.752432 0.522707 C\n0.317643 0.252560 0.477282 C\n0.317543 0.252473 0.977341 C\n0.931750 0.755762 0.038971 O\n0.931842 0.755531 0.539022 O\n0.068260 0.255780 0.461015 O\n0.068229 0.255551 0.961014 O\n0.389118 0.279906 0.046784 O\n0.389326 0.279796 0.546725 O\n0.610893 0.779839 0.453265 O\n0.610882 0.779746 0.953181 O\n0.512121 0.724291 0.086665 O\n0.512287 0.724027 0.586740 O\n0.487758 0.224208 0.413223 O\n0.487861 0.224031 0.913322 O\n0.789076 0.063206 0.150789 O\n0.789122 0.062783 0.650878 O\n0.210878 0.563183 0.349166 O\n0.210963 0.562789 0.849193 O\n0.836044 0.436897 0.154773 O\n0.836223 0.436572 0.654819 O\n0.163832 0.936875 0.345184 O\n0.163947 0.936535 0.845217 O\n0.136974 0.729361 0.213063 O\n0.137064 0.729091 0.713105 O\n0.862896 0.229340 0.286882 O\n0.862942 0.229119 0.786943 O\n0.423870 0.278384 0.230440 O\n0.423948 0.278146 0.730464 O\n0.575991 0.778357 0.269514 O\n0.576027 0.778085 0.769569 O\n",
"nsites": 48,
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"elements": [
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"Cr",
"P",
"C",
"O"
],
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"density": 2.722567294781191,
"density_atomic": 0.08908342886330423,
"volume": 538.820750530994,
"volume_molar": 6.760113341888522,
"formula_full": "Li8 Cr4 P4 C4 O28",
"formula_reduced": "Li2CrPCO7",
"formula_anonymous": "ABCD2E7",
"energy": -367.6352415500001,
"energy_per_atom": -7.659067532291669,
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"updated_at": "2021-11-28T01:36:19.764000Z",
"spacegroup": 4
},
{
"id": "mp-1520471",
"created_at": "2022-09-04T14:43:40.026476Z",
"structure_string": "Ba1 Sr1 Tb1 Sb1 O6\n1.0\n0.000000 -4.239647 -4.239647\n4.239647 -0.000000 -4.239647\n4.239647 -4.239647 0.000000\nBa Sr Tb Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Tb\n-0.000000 -0.000000 -0.000000 Sb\n0.763424 0.236576 0.236576 O\n0.236576 0.763424 0.763424 O\n0.763424 0.236576 0.763424 O\n0.236576 0.763424 0.236576 O\n0.763424 0.763424 0.236576 O\n0.236576 0.236576 0.763424 O\n",
"nsites": 10,
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"elements": [
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"Sr",
"Tb",
"Sb",
"O"
],
"chemical_system": "Ba-O-Sb-Sr-Tb",
"density": 6.554787086121979,
"density_atomic": 0.0656116425588008,
"volume": 152.41197461316494,
"volume_molar": 9.178463646300258,
"formula_full": "Ba1 Sr1 Tb1 Sb1 O6",
"formula_reduced": "BaSrTbSbO6",
"formula_anonymous": "ABCDE6",
"energy": -72.69288659,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:19.350000Z",
"spacegroup": 216
},
{
"id": "mp-555763",
"created_at": "2022-09-04T14:43:57.511457Z",
"structure_string": "Zn3 S3\n1.0\n9.515045 -1.926320 0.000000\n9.515045 1.926320 0.000000\n9.125062 0.000000 3.313615\nZn S\n3 3\ndirect\n0.000011 0.000011 0.000011 Zn\n0.777772 0.777772 0.777772 Zn\n0.555555 0.555555 0.555555 Zn\n0.916667 0.916667 0.916667 S\n0.472195 0.472195 0.472195 S\n0.694475 0.694475 0.694475 S\n",
"nsites": 6,
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"elements": [
"Zn",
"S"
],
"chemical_system": "S-Zn",
"density": 3.997493968317783,
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"volume": 121.47064105206023,
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"formula_full": "Zn3 S3",
"formula_reduced": "ZnS",
"formula_anonymous": "AB",
"energy": -22.53853582,
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"updated_at": "2021-11-28T01:36:34.947000Z",
"spacegroup": 160
},
{
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"id": "mp-755657",
"created_at": "2022-09-04T14:43:41.530824Z",
"structure_string": "Ti2 V2 O6\n1.0\n2.320328 -1.710743 -4.262951\n3.303719 1.668752 4.234546\n-0.000012 -2.882790 4.262978\nTi V O\n2 2 6\ndirect\n0.145117 0.435342 0.854888 Ti\n0.854885 0.564662 0.145106 Ti\n0.652671 0.958002 0.347336 V\n0.347336 0.041985 0.652675 V\n0.050851 0.263865 0.223400 O\n0.436432 0.263878 0.949147 O\n0.776604 0.263861 0.563601 O\n0.223391 0.736142 0.436396 O\n0.563566 0.736125 0.050851 O\n0.949147 0.736137 0.776601 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ti",
"V",
"O"
],
"chemical_system": "O-Ti-V",
"density": 4.451553489594028,
"density_atomic": 0.09130333194693659,
"volume": 109.5250281316324,
"volume_molar": 6.5957513615165,
"formula_full": "Ti2 V2 O6",
"formula_reduced": "TiVO3",
"formula_anonymous": "ABC3",
"energy": -93.6486496,
"energy_per_atom": -9.36486496,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.12664960000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.893000Z",
"spacegroup": 148
}
]
}