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{
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"results": [
{
"id": "mp-1100750",
"created_at": "2022-09-04T14:43:14.917147Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n1.450429 4.908881 0.000000\n-1.450429 4.908881 0.000000\n0.000000 3.086467 20.559605\nLi Mn Co O\n9 2 5 16\ndirect\n0.256199 0.256199 0.936106 Li\n0.743801 0.743801 0.063894 Li\n0.251932 0.251932 0.193961 Li\n0.739546 0.739546 0.320921 Li\n0.239402 0.239402 0.443902 Li\n0.760598 0.760598 0.556098 Li\n0.260454 0.260454 0.679079 Li\n0.748068 0.748068 0.806039 Li\n0.500000 0.500000 0.500000 Li\n0.001106 0.001106 0.874032 Mn\n0.998894 0.998894 0.125968 Mn\n0.500000 0.500000 0.000000 Co\n0.499525 0.499525 0.256076 Co\n0.983613 0.983613 0.387736 Co\n0.016387 0.016387 0.612264 Co\n0.500475 0.500475 0.743924 Co\n0.391246 0.391246 0.845741 O\n0.887655 0.887655 0.959894 O\n0.385213 0.385213 0.099516 O\n0.890343 0.890343 0.213930 O\n0.384399 0.384399 0.342460 O\n0.874399 0.874399 0.464268 O\n0.392795 0.392795 0.596784 O\n0.885411 0.885411 0.722378 O\n0.112345 0.112345 0.040106 O\n0.608754 0.608754 0.154259 O\n0.114589 0.114589 0.277622 O\n0.607205 0.607205 0.403216 O\n0.125601 0.125601 0.535732 O\n0.615601 0.615601 0.657540 O\n0.109657 0.109657 0.786070 O\n0.614787 0.614787 0.900484 O\n",
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"elements": [
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],
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"volume": 292.76809097424854,
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"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
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"updated_at": "2021-11-28T01:36:11.973000Z",
"spacegroup": 12
},
{
"id": "mp-759598",
"created_at": "2022-09-04T14:43:20.510987Z",
"structure_string": "K8 Li13 Fe4 O16\n1.0\n5.698355 0.000000 0.000000\n-0.463612 -8.800961 0.000000\n-1.456781 0.060597 -10.857464\nK Li Fe O\n8 13 4 16\ndirect\n0.102861 0.002980 0.855735 K\n0.142245 0.751049 0.393387 K\n0.421903 0.505156 0.657908 K\n0.332863 0.247323 0.146075 K\n0.625283 0.761408 0.884636 K\n0.612336 0.559258 0.306830 K\n0.858905 0.940329 0.181889 K\n0.871396 0.252755 0.647126 K\n0.099597 0.749322 0.695947 Li\n0.972462 0.474127 0.486204 Li\n0.326162 0.477836 0.928606 Li\n0.199255 0.996112 0.571339 Li\n0.081233 0.478284 0.191185 Li\n0.424237 0.257314 0.810152 Li\n0.418754 0.983461 0.300043 Li\n0.571004 0.017204 0.702453 Li\n0.529028 0.048360 0.018046 Li\n0.936903 0.514635 0.835214 Li\n0.696769 0.502577 0.059066 Li\n0.806848 0.030863 0.440453 Li\n0.890688 0.247137 0.298324 Li\n0.680052 0.793689 0.557446 Fe\n0.841471 0.273200 0.948718 Fe\n0.200514 0.716255 0.056690 Fe\n0.330569 0.225687 0.443870 Fe\n0.116823 0.318628 0.857636 O\n0.134762 0.696042 0.879140 O\n0.126379 0.058233 0.381319 O\n0.159453 0.404871 0.378237 O\n0.399204 0.818176 0.632736 O\n0.338111 0.921154 0.105485 O\n0.372954 0.197131 0.616920 O\n0.631559 0.451942 0.875183 O\n0.370646 0.539316 0.100170 O\n0.622936 0.082847 0.871168 O\n0.614332 0.199833 0.376409 O\n0.623608 0.840173 0.388011 O\n0.855905 0.609794 0.584337 O\n0.889039 0.954382 0.625465 O\n0.830939 0.284205 0.126218 O\n0.933153 0.661627 0.139280 O\n",
"nsites": 41,
"nelements": 4,
"elements": [
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],
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"density": 2.690924918935974,
"density_atomic": 0.07529668569638848,
"volume": 544.5126783577211,
"volume_molar": 7.997882913840981,
"formula_full": "K8 Li13 Fe4 O16",
"formula_reduced": "K8Li13(FeO4)4",
"formula_anonymous": "A4B8C13D16",
"energy": -220.7479327,
"energy_per_atom": -5.384095919512196,
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"band_gap": 1.7423999999999995,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:36:11.723000Z",
"spacegroup": 1
},
{
"id": "mp-1095160",
"created_at": "2022-09-04T14:43:14.930764Z",
"structure_string": "Eu4 In2 Pd4\n1.0\n2.963533 5.186588 0.000000\n-2.963533 5.186588 0.000000\n0.000000 2.085593 8.104191\nEu In Pd\n4 2 4\ndirect\n0.790129 0.505848 0.352285 Eu\n0.494152 0.209871 0.147715 Eu\n0.209871 0.494152 0.647715 Eu\n0.505848 0.790129 0.852285 Eu\n0.146278 0.853722 0.250000 In\n0.853722 0.146278 0.750000 In\n0.001838 0.727754 0.003160 Pd\n0.272246 0.998162 0.496840 Pd\n0.998162 0.272246 0.996840 Pd\n0.727754 0.001838 0.503160 Pd\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Eu-In-Pd",
"density": 8.419385705166137,
"density_atomic": 0.04013920974084615,
"volume": 249.13295664174169,
"volume_molar": 15.003137328515454,
"formula_full": "Eu4 In2 Pd4",
"formula_reduced": "Eu2InPd2",
"formula_anonymous": "AB2C2",
"energy": -74.48637287,
"energy_per_atom": -7.4486372869999995,
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"updated_at": "2021-11-28T01:36:14.538000Z",
"spacegroup": 15
},
{
"id": "mp-40451",
"created_at": "2022-09-04T14:43:11.160127Z",
"structure_string": "Na2 Gd6 Ti4 Sb4 O28\n1.0\n7.323997 0.000000 0.000000\n0.000000 7.356838 0.000000\n0.000000 7.281607 10.378326\nNa Gd Ti Sb O\n2 6 4 4 28\ndirect\n0.500000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.267016 0.000000 0.750000 Gd\n0.732984 0.000000 0.250000 Gd\n0.254735 0.500000 0.750000 Gd\n0.745265 0.500000 0.250000 Gd\n0.000000 0.500000 0.000000 Gd\n0.000000 0.500000 0.500000 Gd\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.239182 0.000000 0.250000 Ti\n0.760818 0.000000 0.750000 Ti\n0.245898 0.500000 0.250000 Sb\n0.500000 0.000000 0.500000 Sb\n0.754102 0.500000 0.750000 Sb\n0.500000 0.000000 0.000000 Sb\n0.239811 0.632684 0.868813 O\n0.053481 0.073288 0.122315 O\n0.232288 0.678303 0.322299 O\n0.760189 0.632684 0.368813 O\n0.249285 0.076627 0.923088 O\n0.045497 0.676181 0.122635 O\n0.550282 0.057228 0.632166 O\n0.045497 0.323819 0.377365 O\n0.946519 0.073288 0.622315 O\n0.249285 0.923373 0.576912 O\n0.750715 0.076627 0.423088 O\n0.767712 0.678303 0.822299 O\n0.053481 0.926712 0.377685 O\n0.954503 0.676181 0.622635 O\n0.544833 0.670563 0.628590 O\n0.954503 0.323819 0.877365 O\n0.544833 0.329437 0.871410 O\n0.449718 0.057228 0.132166 O\n0.767712 0.321697 0.677701 O\n0.750715 0.923373 0.076912 O\n0.946519 0.926712 0.877685 O\n0.455167 0.670563 0.128590 O\n0.550282 0.942772 0.867834 O\n0.455167 0.329437 0.371410 O\n0.760189 0.367316 0.131187 O\n0.232288 0.321697 0.177701 O\n0.449718 0.942772 0.367834 O\n0.239811 0.367316 0.631187 O\n",
"nsites": 44,
"nelements": 5,
"elements": [
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"Gd",
"Ti",
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"O"
],
"chemical_system": "Gd-Na-O-Sb-Ti",
"density": 6.283362214416578,
"density_atomic": 0.07868392530630255,
"volume": 559.1993514395197,
"volume_molar": 7.653584561976127,
"formula_full": "Na2 Gd6 Ti4 Sb4 O28",
"formula_reduced": "NaGd3Ti2(SbO7)2",
"formula_anonymous": "AB2C2D3E14",
"energy": -411.37927403,
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"updated_at": "2021-11-28T01:36:05.998000Z",
"spacegroup": 13
},
{
"id": "mp-22776",
"created_at": "2022-09-04T14:43:17.394361Z",
"structure_string": "K2 Fe1 Co1 C6 N6\n1.0\n0.000000 5.039028 5.039028\n5.039028 0.000000 5.039028\n5.039028 5.039028 0.000000\nK Fe Co C N\n2 1 1 6 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Co\n0.813184 0.186816 0.813184 C\n0.186816 0.813184 0.186816 C\n0.813184 0.813184 0.186816 C\n0.186816 0.813184 0.813184 C\n0.186816 0.186816 0.813184 C\n0.813184 0.186816 0.186816 C\n0.303933 0.696067 0.696067 N\n0.696067 0.696067 0.303933 N\n0.303933 0.696067 0.303933 N\n0.696067 0.303933 0.696067 N\n0.303933 0.303933 0.696067 N\n0.696067 0.303933 0.303933 N\n",
"nsites": 16,
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"elements": [
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"Fe",
"Co",
"C",
"N"
],
"chemical_system": "C-Co-Fe-K-N",
"density": 2.265180179491398,
"density_atomic": 0.06252442007550009,
"volume": 255.9000144372315,
"volume_molar": 9.631661921419001,
"formula_full": "K2 Fe1 Co1 C6 N6",
"formula_reduced": "K2FeCo(CN)6",
"formula_anonymous": "ABC2D6E6",
"energy": -125.77710895,
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"updated_at": "2021-11-28T01:36:06.570000Z",
"spacegroup": 225
},
{
"id": "mp-1236344",
"created_at": "2022-09-04T14:43:17.398632Z",
"structure_string": "Sr4 Li1 Mn2 Ga2 O10\n1.0\n0.005842 -0.011702 5.676746\n-0.000216 5.733338 -0.014516\n-8.243960 2.861157 2.822673\nSr Li Mn Ga O\n4 1 2 2 10\ndirect\n0.091361 0.627599 0.802028 Sr\n0.904991 0.371511 0.215944 Sr\n0.605079 0.070148 0.801845 Sr\n0.379376 0.911106 0.215882 Sr\n0.959589 0.456582 0.581574 Li\n0.495068 0.488861 0.015867 Mn\n0.991889 0.997488 0.011367 Mn\n0.646340 0.702083 0.497239 Ga\n0.359319 0.304287 0.492337 Ga\n0.245375 0.245658 0.994221 O\n0.238261 0.754529 0.007096 O\n0.760664 0.245158 0.993289 O\n0.749443 0.750944 0.014348 O\n0.696320 0.667189 0.692161 O\n0.360504 0.315760 0.289859 O\n0.111482 0.138736 0.682131 O\n0.850184 0.896909 0.298730 O\n0.306206 0.645797 0.504394 O\n0.689025 0.350129 0.503973 O\n",
"nsites": 19,
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"elements": [
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],
"chemical_system": "Ga-Li-Mn-O-Sr",
"density": 4.743591102707875,
"density_atomic": 0.0707889184579536,
"volume": 268.4035921707916,
"volume_molar": 8.50718006601127,
"formula_full": "Sr4 Li1 Mn2 Ga2 O10",
"formula_reduced": "Sr4LiMn2(GaO5)2",
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"energy": -131.20332408,
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{
"id": "mp-559246",
"created_at": "2022-09-04T14:43:11.167016Z",
"structure_string": "Ba1 Cr1 F6\n1.0\n3.251863 -3.754454 0.000000\n3.251863 3.754454 0.000000\n-1.082860 0.000000 4.847469\nBa Cr F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Cr\n0.731381 0.731381 0.077136 F\n0.077136 0.731381 0.731381 F\n0.922864 0.268619 0.268619 F\n0.268619 0.268619 0.922864 F\n0.268619 0.922864 0.268619 F\n0.731381 0.077136 0.731381 F\n",
"nsites": 8,
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],
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"density": 4.255168879674391,
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"volume": 118.36520765729745,
"volume_molar": 8.910149269985938,
"formula_full": "Ba1 Cr1 F6",
"formula_reduced": "BaCrF6",
"formula_anonymous": "ABC6",
"energy": -49.54459818,
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"spacegroup": 166
},
{
"id": "mp-1220910",
"created_at": "2022-09-04T14:43:11.167442Z",
"structure_string": "Na2 Ta2 W2 O14\n1.0\n-3.699342 3.699844 5.306706\n3.699342 -3.699844 5.306706\n3.699342 3.699844 -5.306706\nNa Ta W O\n2 2 2 14\ndirect\n0.000000 0.000000 0.500000 Na\n0.000000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Ta\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 W\n0.500000 0.000000 0.000000 W\n0.855301 0.605301 0.250000 O\n0.144699 0.394699 0.750000 O\n0.192318 0.316463 0.251508 O\n0.564955 0.316463 0.624144 O\n0.555123 0.305123 0.250000 O\n0.564955 0.940810 0.248492 O\n0.192318 0.940810 0.875856 O\n0.184891 0.934891 0.250000 O\n0.807682 0.683537 0.748492 O\n0.435045 0.683537 0.375856 O\n0.444877 0.694877 0.750000 O\n0.435045 0.059190 0.751508 O\n0.807682 0.059190 0.124144 O\n0.815109 0.065109 0.750000 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 5.712935992985439,
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"volume": 290.53129179036785,
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"formula_full": "Na2 Ta2 W2 O14",
"formula_reduced": "NaTaWO7",
"formula_anonymous": "ABCD7",
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"spacegroup": 74
},
{
"id": "mp-754051",
"created_at": "2022-09-04T14:43:11.168168Z",
"structure_string": "Li2 Fe2 F6\n1.0\n5.080455 -2.587427 0.000000\n5.080455 2.587427 0.000000\n3.762703 0.000000 4.283440\nLi Fe F\n2 2 6\ndirect\n0.144722 0.144722 0.144722 Li\n0.855278 0.855278 0.855278 Li\n0.346001 0.346001 0.346001 Fe\n0.653999 0.653999 0.653999 Fe\n0.941564 0.243915 0.564691 F\n0.435309 0.058436 0.756085 F\n0.756085 0.435309 0.058436 F\n0.243915 0.564691 0.941564 F\n0.564691 0.941564 0.243915 F\n0.058436 0.756085 0.435309 F\n",
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"elements": [
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],
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"density_atomic": 0.08879869875116712,
"volume": 112.61426282858187,
"volume_molar": 6.781789423373557,
"formula_full": "Li2 Fe2 F6",
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"formula_anonymous": "ABC3",
"energy": -57.97996269000001,
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"spacegroup": 148
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{
"id": "mp-5091",
"created_at": "2022-09-04T14:43:14.799956Z",
"structure_string": "Dy1 Al8 Fe4\n1.0\n-4.348517 4.348517 2.511076\n4.348517 -4.348517 2.511076\n4.348517 4.348517 -2.511076\nDy Al Fe\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Dy\n0.000000 0.659718 0.659718 Al\n0.340282 0.000000 0.340282 Al\n0.659718 0.000000 0.659718 Al\n0.000000 0.340282 0.340282 Al\n0.500000 0.720822 0.220822 Al\n0.500000 0.279178 0.779178 Al\n0.720822 0.500000 0.220822 Al\n0.279178 0.500000 0.779178 Al\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n",
"nsites": 13,
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"elements": [
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