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{
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"results": [
{
"id": "mp-755976",
"created_at": "2022-09-04T14:48:07.777659Z",
"structure_string": "Li2 Mn1 V4 Fe1 O12\n1.0\n4.641594 5.230288 0.000000\n-4.641594 5.230288 0.000000\n0.000000 2.078321 5.444791\nLi Mn V Fe O\n2 1 4 1 12\ndirect\n0.756631 0.243369 0.000000 Li\n0.245411 0.754589 0.500000 Li\n0.088017 0.911983 0.000000 Mn\n0.809632 0.605395 0.518859 V\n0.609637 0.794699 0.022428 V\n0.394605 0.190368 0.481141 V\n0.205301 0.390363 0.977572 V\n0.914882 0.085118 0.500000 Fe\n0.981315 0.799946 0.401645 O\n0.891113 0.358563 0.591773 O\n0.787174 0.975954 0.907542 O\n0.634696 0.649158 0.310717 O\n0.641437 0.108887 0.408227 O\n0.638471 0.644220 0.815281 O\n0.350842 0.365304 0.689283 O\n0.373070 0.902114 0.075063 O\n0.355780 0.361529 0.184719 O\n0.200054 0.018685 0.598355 O\n0.097886 0.626930 0.924937 O\n0.024046 0.212826 0.092458 O\n",
"nsites": 20,
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"elements": [
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"volume": 264.3650035828133,
"volume_molar": 7.96021631796803,
"formula_full": "Li2 Mn1 V4 Fe1 O12",
"formula_reduced": "Li2MnV4FeO12",
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"energy": -162.94157640999998,
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"updated_at": "2021-11-28T01:38:30.982000Z",
"spacegroup": 5
},
{
"id": "mp-1207",
"created_at": "2022-09-04T14:48:07.801228Z",
"structure_string": "Nd2 Fe4\n1.0\n0.000000 3.722171 3.722171\n3.722171 0.000000 3.722171\n3.722171 3.722171 0.000000\nNd Fe\n2 4\ndirect\n0.250000 0.250000 0.250000 Nd\n0.000000 0.000000 0.000000 Nd\n0.625000 0.125000 0.625000 Fe\n0.625000 0.625000 0.125000 Fe\n0.125000 0.625000 0.625000 Fe\n0.625000 0.625000 0.625000 Fe\n",
"nsites": 6,
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"elements": [
"Nd",
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],
"chemical_system": "Fe-Nd",
"density": 8.241091280815782,
"density_atomic": 0.05817445070514674,
"volume": 103.13806021840401,
"volume_molar": 10.351865272476422,
"formula_full": "Nd2 Fe4",
"formula_reduced": "NdFe2",
"formula_anonymous": "AB2",
"energy": -42.93085242,
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"energy_above_hull": null,
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"energy_uncorrected": -42.93085242,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:38:28.943000Z",
"spacegroup": 227
},
{
"id": "mp-772328",
"created_at": "2022-09-04T14:48:07.803068Z",
"structure_string": "Mn2 Fe3 Co3 O16\n1.0\n2.876499 5.002808 0.000000\n-2.876499 5.002808 0.000000\n0.000000 0.313538 8.848572\nMn Fe Co O\n2 3 3 16\ndirect\n0.666997 0.666997 0.516649 Mn\n0.331017 0.331017 0.014993 Mn\n0.834687 0.834687 0.789584 Fe\n0.169381 0.668630 0.290345 Fe\n0.668630 0.169381 0.290345 Fe\n0.334385 0.833716 0.791462 Co\n0.833716 0.334385 0.791462 Co\n0.168910 0.168910 0.292783 Co\n0.337306 0.839130 0.399847 O\n0.521463 0.521463 0.670342 O\n0.663669 0.663669 0.898475 O\n0.005461 0.005461 0.683514 O\n0.008924 0.008924 0.184502 O\n0.839130 0.337306 0.399847 O\n0.513075 0.958676 0.659658 O\n0.958676 0.513075 0.659658 O\n0.163148 0.163148 0.890041 O\n0.830343 0.830343 0.400391 O\n0.039815 0.467327 0.157292 O\n0.467327 0.039815 0.157292 O\n0.328699 0.328699 0.401290 O\n0.169118 0.670003 0.898188 O\n0.477916 0.477916 0.148195 O\n0.670003 0.169118 0.898188 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-Mn-O",
"density": 4.630726964912488,
"density_atomic": 0.09423885351387631,
"volume": 254.67202862846895,
"volume_molar": 6.390295016814124,
"formula_full": "Mn2 Fe3 Co3 O16",
"formula_reduced": "Mn2Fe3Co3O16",
"formula_anonymous": "A2B3C3D16",
"energy": -174.73915130999998,
"energy_per_atom": -7.280797971249999,
"energy_above_hull": null,
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"energy_uncorrected": -148.72915131,
"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:38:28.930000Z",
"spacegroup": 8
},
{
"id": "mp-1276409",
"created_at": "2022-09-04T14:48:08.756179Z",
"structure_string": "Co2 As2 O7\n1.0\n4.828500 -0.038026 -0.562715\n-0.847107 5.169474 -1.503986\n-0.065927 0.055327 5.454839\nCo As O\n2 2 7\ndirect\n0.497927 0.309122 0.693663 Co\n0.499494 0.693327 0.310365 Co\n0.099114 0.759254 0.760940 As\n0.900855 0.236708 0.235217 As\n0.008913 0.003629 0.999642 O\n0.770595 0.596974 0.598617 O\n0.223962 0.405919 0.405862 O\n0.292160 0.927599 0.597037 O\n0.289454 0.594471 0.929256 O\n0.709909 0.403431 0.070135 O\n0.707617 0.069564 0.399266 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Co",
"As",
"O"
],
"chemical_system": "As-Co-O",
"density": 4.62885828633358,
"density_atomic": 0.08075523969999233,
"volume": 136.21407156817645,
"volume_molar": 7.457275567966114,
"formula_full": "Co2 As2 O7",
"formula_reduced": "Co2As2O7",
"formula_anonymous": "A2B2C7",
"energy": -75.38370753999999,
"energy_per_atom": -6.853064321818181,
"energy_above_hull": null,
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"energy_uncorrected": -67.29870754,
"band_gap": 1.8642,
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"is_magnetic": true,
"total_magnetization": 7.8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.696000Z",
"spacegroup": 8
},
{
"id": "mp-1518617",
"created_at": "2022-09-04T14:48:07.802164Z",
"structure_string": "Na1 Ce1 Hf1 Zr1 O6\n1.0\n0.000000 -4.131460 -4.131460\n4.131460 0.000000 -4.131460\n4.131460 -4.131460 0.000000\nNa Ce Hf Zr O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Ce\n-0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Zr\n0.751774 0.248226 0.248226 O\n0.248226 0.751774 0.751774 O\n0.751774 0.248226 0.751774 O\n0.248226 0.751774 0.248226 O\n0.751774 0.751774 0.248226 O\n0.248226 0.248226 0.751774 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Ce",
"Hf",
"Zr",
"O"
],
"chemical_system": "Ce-Hf-Na-O-Zr",
"density": 6.226058121038972,
"density_atomic": 0.07090214062259963,
"volume": 141.03946527127223,
"volume_molar": 8.49359512578733,
"formula_full": "Na1 Ce1 Hf1 Zr1 O6",
"formula_reduced": "NaCeHfZrO6",
"formula_anonymous": "ABCDE6",
"energy": -89.66945961,
"energy_per_atom": -8.966945961,
"energy_above_hull": null,
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"energy_uncorrected": -85.54745961,
"band_gap": 0.1458000000000003,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.063000Z",
"spacegroup": 216
},
{
"id": "mp-1251404",
"created_at": "2022-09-04T14:48:07.806436Z",
"structure_string": "Fe13 Si2 Sb2 O28\n1.0\n5.541794 0.017905 1.078572\n1.663482 8.789432 0.630075\n-0.430209 0.394611 11.567308\nFe Si Sb O\n13 2 2 28\ndirect\n0.931181 0.658440 0.696523 Fe\n0.664814 0.338282 0.131040 Fe\n0.331145 0.379567 0.723966 Fe\n0.069595 0.339998 0.303766 Fe\n0.336018 0.660113 0.869308 Fe\n0.245379 0.064907 0.450188 Fe\n0.226598 0.652596 0.165567 Fe\n0.000581 0.999227 0.000180 Fe\n0.442854 0.986884 0.147601 Fe\n0.774109 0.345995 0.834798 Fe\n0.669750 0.618766 0.276426 Fe\n0.558237 0.011478 0.852740 Fe\n0.755611 0.933472 0.550107 Fe\n0.225213 0.310191 0.009166 Si\n0.775702 0.688188 0.991175 Si\n0.887669 0.978696 0.282302 Sb\n0.113324 0.019715 0.718026 Sb\n0.727820 0.388443 0.275115 O\n0.207077 0.289621 0.433510 O\n0.929338 0.352510 0.001189 O\n0.300634 0.123397 0.007281 O\n0.793849 0.708775 0.566749 O\n0.273003 0.609924 0.725223 O\n0.944324 0.099919 0.580744 O\n0.056685 0.898462 0.419549 O\n0.700367 0.874977 0.993080 O\n0.138983 0.881807 0.152139 O\n0.306474 0.366832 0.128989 O\n0.001967 0.559748 0.288366 O\n0.386451 0.949329 0.594378 O\n0.736665 0.113560 0.148534 O\n0.613611 0.603325 0.100950 O\n0.071578 0.645867 0.999139 O\n0.264345 0.884822 0.851791 O\n0.862006 0.116649 0.848182 O\n0.614532 0.049044 0.405936 O\n0.133097 0.124477 0.274589 O\n0.867833 0.873932 0.725739 O\n0.387304 0.395043 0.899401 O\n0.327141 0.164712 0.750431 O\n0.640998 0.358616 0.678332 O\n0.694381 0.631560 0.871357 O\n0.673910 0.833657 0.249900 O\n0.998916 0.438628 0.712032 O\n0.359960 0.639778 0.322007 O\n",
"nsites": 45,
"nelements": 4,
"elements": [
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"Si",
"Sb",
"O"
],
"chemical_system": "Fe-O-Sb-Si",
"density": 4.319674948120308,
"density_atomic": 0.07943601046162631,
"volume": 566.4937065506135,
"volume_molar": 7.5811218677820635,
"formula_full": "Fe13 Si2 Sb2 O28",
"formula_reduced": "Fe13Si2(SbO14)2",
"formula_anonymous": "A2B2C13D28",
"energy": -342.88633553,
"energy_per_atom": -7.619696345111111,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:28.765000Z",
"spacegroup": 2
},
{
"id": "mp-1290247",
"created_at": "2022-09-04T14:48:07.819118Z",
"structure_string": "Li2 Co8 O16\n1.0\n-2.819132 -4.898323 -0.001203\n5.709240 -3.305388 5.009204\n-2.842709 1.647503 4.991630\nLi Co O\n2 8 16\ndirect\n0.499998 0.999999 0.000001 Li\n0.999999 0.500001 0.499999 Li\n0.750613 0.247094 0.251761 Co\n0.249387 0.752906 0.748239 Co\n0.248511 0.247078 0.252048 Co\n0.751489 0.752922 0.747953 Co\n0.000000 0.500001 0.000000 Co\n0.500001 0.999998 0.499999 Co\n0.000001 0.999999 0.500000 Co\n0.499999 0.500002 0.000003 Co\n0.999558 0.268430 0.041016 O\n0.500023 0.771726 0.537686 O\n0.000442 0.731570 0.958989 O\n0.499978 0.228273 0.462309 O\n0.236337 0.476374 0.222655 O\n0.745822 0.980875 0.713538 O\n0.499315 0.255454 0.044384 O\n0.000339 0.767482 0.538692 O\n0.761885 0.477052 0.221364 O\n0.254383 0.980699 0.713645 O\n0.238113 0.522949 0.778636 O\n0.745620 0.019299 0.286353 O\n0.500683 0.744549 0.955612 O\n0.999663 0.232514 0.461313 O\n0.763662 0.523628 0.777345 O\n0.254178 0.019123 0.286461 O\n",
"nsites": 26,
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"elements": [
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],
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"density": 4.410298022222746,
"density_atomic": 0.09314851795885207,
"volume": 279.124140348485,
"volume_molar": 6.465095625740662,
"formula_full": "Li2 Co8 O16",
"formula_reduced": "Li(CoO2)4",
"formula_anonymous": "AB4C8",
"energy": -173.58252119,
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"updated_at": "2021-11-28T01:38:27.959000Z",
"spacegroup": 10
},
{
"id": "mp-777379",
"created_at": "2022-09-04T14:48:08.291299Z",
"structure_string": "Li2 Cr2 P4 O14\n1.0\n3.245585 4.163283 -0.009394\n-3.245599 4.163294 0.009440\n-1.930761 0.000052 8.807188\nLi Cr P O\n2 2 4 14\ndirect\n0.691868 0.702106 0.002294 Li\n0.297886 0.308113 0.502302 Li\n0.677994 0.675214 0.500019 Cr\n0.324805 0.322009 0.000056 Cr\n0.211938 0.771021 0.702599 P\n0.228983 0.788061 0.202592 P\n0.784048 0.222429 0.796769 P\n0.777589 0.215963 0.296762 P\n0.382066 0.905933 0.609646 O\n0.057651 0.614802 0.611108 O\n0.374351 0.619958 0.857682 O\n0.094091 0.617924 0.109661 O\n0.385182 0.942353 0.111115 O\n0.380054 0.625657 0.357684 O\n0.983474 0.986576 0.747867 O\n0.013392 0.016477 0.247879 O\n0.624651 0.383465 0.643268 O\n0.604367 0.100453 0.889256 O\n0.952897 0.363381 0.889448 O\n0.616571 0.375371 0.143285 O\n0.899570 0.395613 0.389265 O\n0.636574 0.047122 0.389441 O\n",
"nsites": 22,
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"elements": [
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"P",
"O"
],
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"density": 3.251552086174669,
"density_atomic": 0.09249139289612693,
"volume": 237.85997065378012,
"volume_molar": 6.5110282929387875,
"formula_full": "Li2 Cr2 P4 O14",
"formula_reduced": "LiCrP2O7",
"formula_anonymous": "ABC2D7",
"energy": -171.68277845,
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"updated_at": "2021-11-28T01:38:32.627000Z",
"spacegroup": 9
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{
"id": "mp-772957",
"created_at": "2022-09-04T14:48:07.832563Z",
"structure_string": "Sr2 V8 O20\n1.0\n6.269251 0.000000 0.000000\n-2.239969 -7.124498 0.000000\n-0.329361 0.096732 -9.055571\nSr V O\n2 8 20\ndirect\n0.817691 0.707230 0.013202 Sr\n0.182309 0.292770 0.986798 Sr\n0.878966 0.464761 0.660718 V\n0.543062 0.880921 0.340001 V\n0.456938 0.119079 0.659999 V\n0.121034 0.535239 0.339282 V\n0.862907 0.971040 0.660342 V\n0.527412 0.387284 0.334878 V\n0.472588 0.612716 0.665122 V\n0.137093 0.028960 0.339658 V\n0.920693 0.996456 0.845209 O\n0.913423 0.460851 0.846205 O\n0.844677 0.466204 0.397103 O\n0.825668 0.952287 0.410829 O\n0.800277 0.692269 0.650314 O\n0.792752 0.205296 0.629087 O\n0.567963 0.865275 0.160840 O\n0.553784 0.417885 0.150835 O\n0.530125 0.377575 0.603878 O\n0.528283 0.888083 0.633780 O\n0.471717 0.111917 0.366220 O\n0.469875 0.622425 0.396122 O\n0.446216 0.582115 0.849165 O\n0.432037 0.134725 0.839160 O\n0.207248 0.794704 0.370913 O\n0.199723 0.307731 0.349686 O\n0.174332 0.047713 0.589171 O\n0.155323 0.533796 0.602897 O\n0.086577 0.539149 0.153795 O\n0.079307 0.003544 0.154791 O\n",
"nsites": 30,
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"elements": [
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"O"
],
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"density": 3.706257918142176,
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"volume": 404.46948940759336,
"volume_molar": 8.119240661126186,
"formula_full": "Sr2 V8 O20",
"formula_reduced": "SrV4O10",
"formula_anonymous": "AB4C10",
"energy": -253.01944793,
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"updated_at": "2021-11-28T01:38:27.444000Z",
"spacegroup": 2
},
{
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},
{
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{
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}
]
}