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{
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"results": [
{
"id": "mp-1200",
"created_at": "2022-09-04T14:45:09.876352Z",
"structure_string": "Tb1 Co5\n1.0\n4.931248 0.000000 0.000000\n-2.465624 4.270586 0.000000\n0.000000 0.000000 3.947425\nTb Co\n1 5\ndirect\n0.000000 0.000000 0.000000 Tb\n0.000000 0.500000 0.500000 Co\n0.333333 0.666667 0.000000 Co\n0.666667 0.333333 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n",
"nsites": 6,
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"elements": [
"Tb",
"Co"
],
"chemical_system": "Co-Tb",
"density": 9.060572374246588,
"density_atomic": 0.072176039375625,
"volume": 83.13008100616693,
"volume_molar": 8.343684153488995,
"formula_full": "Tb1 Co5",
"formula_reduced": "TbCo5",
"formula_anonymous": "AB5",
"energy": -40.80298474,
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"updated_at": "2021-11-28T01:36:51.856000Z",
"spacegroup": 191
},
{
"id": "mp-1095848",
"created_at": "2022-09-04T14:44:59.287920Z",
"structure_string": "Zn1 Fe1 Co2\n1.0\n-4.696934 4.993082 7.043246\n4.696934 -4.993082 7.043246\n4.696934 4.993082 -7.043246\nZn Fe Co\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Fe\n0.000000 0.233744 0.233744 Co\n0.000000 0.766256 0.766256 Co\n",
"nsites": 4,
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"elements": [
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"Fe",
"Co"
],
"chemical_system": "Co-Fe-Zn",
"density": 0.6009657245043614,
"density_atomic": 0.00605402188604883,
"volume": 660.71779641527,
"volume_molar": 99.47338931624448,
"formula_full": "Zn1 Fe1 Co2",
"formula_reduced": "ZnFeCo2",
"formula_anonymous": "ABC2",
"energy": -13.77155138,
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"is_magnetic": true,
"total_magnetization": 7.9988536,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.330000Z",
"spacegroup": 71
},
{
"id": "mp-758668",
"created_at": "2022-09-04T14:45:07.237073Z",
"structure_string": "Li4 Mn10 O24\n1.0\n4.118953 4.120265 0.000000\n-4.118953 4.120265 0.000000\n0.000000 4.103030 12.392774\nLi Mn O\n4 10 24\ndirect\n0.659623 0.920972 0.670189 Li\n0.920972 0.659623 0.170189 Li\n0.999776 0.253432 0.996495 Li\n0.253432 0.999776 0.496495 Li\n0.465316 0.456026 0.580460 Mn\n0.791745 0.791820 0.416121 Mn\n0.121404 0.126741 0.252890 Mn\n0.956737 0.456109 0.580762 Mn\n0.791820 0.791745 0.916121 Mn\n0.456026 0.465316 0.080460 Mn\n0.456109 0.956737 0.080762 Mn\n0.127132 0.624243 0.752495 Mn\n0.126741 0.121404 0.752890 Mn\n0.624243 0.127132 0.252495 Mn\n0.335053 0.879452 0.741621 O\n0.348271 0.378726 0.742020 O\n0.879452 0.335053 0.241621 O\n0.870634 0.892814 0.258934 O\n0.712577 0.690848 0.574853 O\n0.704063 0.246226 0.591454 O\n0.557128 0.551192 0.931671 O\n0.557383 0.016555 0.930769 O\n0.036714 0.022347 0.402064 O\n0.016555 0.557383 0.430769 O\n0.232361 0.205786 0.088933 O\n0.892814 0.870634 0.758934 O\n0.914141 0.381265 0.737642 O\n0.246226 0.704063 0.091454 O\n0.022606 0.562471 0.902444 O\n0.022347 0.036714 0.902064 O\n0.378726 0.348271 0.242020 O\n0.381265 0.914141 0.237642 O\n0.203838 0.675286 0.592413 O\n0.205786 0.232361 0.588933 O\n0.675286 0.203838 0.092413 O\n0.690848 0.712577 0.074853 O\n0.562471 0.022606 0.402444 O\n0.551192 0.557128 0.431671 O\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.7942045656410466,
"density_atomic": 0.09033854378270739,
"volume": 420.6399440243574,
"volume_molar": 6.666191979455792,
"formula_full": "Li4 Mn10 O24",
"formula_reduced": "Li2Mn5O12",
"formula_anonymous": "A2B5C12",
"energy": -285.01719951,
"energy_per_atom": -7.500452618684211,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -251.84919951,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 26.0002634,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.419000Z",
"spacegroup": 9
},
{
"id": "mp-1228351",
"created_at": "2022-09-04T14:44:59.308886Z",
"structure_string": "Cr2 Hg2 N12 Cl10\n1.0\n-2.965026 -8.041764 -0.516592\n5.481858 -9.494857 0.000000\n1.513154 -5.456284 8.519091\nCr Hg N Cl\n2 2 12 10\ndirect\n0.412176 0.423199 0.529593 Cr\n0.912176 0.135032 0.029593 Cr\n0.773392 0.750878 0.771939 Hg\n0.273392 0.203791 0.271939 Hg\n0.354443 0.648758 0.352479 N\n0.690240 0.637131 0.431456 N\n0.516688 0.326341 0.386857 N\n0.854443 0.144319 0.852479 N\n0.016688 0.270115 0.886857 N\n0.190240 0.741174 0.931456 N\n0.625613 0.275927 0.635591 N\n0.230750 0.371963 0.623020 N\n0.611065 0.688056 0.524030 N\n0.125613 0.962869 0.135591 N\n0.111065 0.676848 0.024030 N\n0.730750 0.274267 0.123020 N\n0.784319 0.883687 0.506194 Cl\n0.284319 0.325801 0.006194 Cl\n0.191136 0.110655 0.534951 Cl\n0.691136 0.663258 0.034951 Cl\n0.231185 0.207074 0.783913 Cl\n0.264336 0.611042 0.652610 Cl\n0.731185 0.277828 0.283913 Cl\n0.764336 0.972012 0.152610 Cl\n0.164458 0.763589 0.258365 Cl\n0.664458 0.313588 0.758365 Cl\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Cr",
"Hg",
"N",
"Cl"
],
"chemical_system": "Cl-Cr-Hg-N",
"density": 2.737609740377093,
"density_atomic": 0.041705614729523104,
"volume": 623.4172585302954,
"volume_molar": 14.439640319549035,
"formula_full": "Cr2 Hg2 N12 Cl10",
"formula_reduced": "CrHgN6Cl5",
"formula_anonymous": "ABC5D6",
"energy": -136.0376127,
"energy_per_atom": -5.232215873076924,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -125.5656127,
"band_gap": 0.5129,
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"is_magnetic": true,
"total_magnetization": 2.0036505,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.375000Z",
"spacegroup": 9
},
{
"id": "mp-1250945",
"created_at": "2022-09-04T14:45:06.831011Z",
"structure_string": "Mn8 Be12 Si12 O48\n1.0\n7.475649 0.000000 0.000000\n0.000000 8.016821 0.000000\n0.000000 7.844111 13.965959\nMn Be Si O\n8 12 12 48\ndirect\n0.461176 0.160836 0.090628 Mn\n0.038824 0.160836 0.590628 Mn\n0.538824 0.839164 0.909372 Mn\n0.961176 0.839164 0.409372 Mn\n0.553944 0.814095 0.431957 Mn\n0.053944 0.185905 0.068043 Mn\n0.446056 0.185905 0.568043 Mn\n0.946056 0.814095 0.931957 Mn\n0.839139 0.804872 0.766796 Be\n0.660441 0.162132 0.402514 Be\n0.160441 0.837868 0.097486 Be\n0.339559 0.837868 0.597486 Be\n0.839559 0.162132 0.902514 Be\n0.161794 0.474643 0.417668 Be\n0.661794 0.525357 0.082332 Be\n0.838206 0.525357 0.582332 Be\n0.338206 0.474643 0.917668 Be\n0.660861 0.804872 0.266796 Be\n0.160861 0.195128 0.233204 Be\n0.339139 0.195128 0.733204 Be\n0.223972 0.810280 0.766552 Si\n0.723972 0.189720 0.733448 Si\n0.776028 0.189720 0.233448 Si\n0.276028 0.810280 0.266552 Si\n0.733715 0.465793 0.919514 Si\n0.233715 0.534207 0.580486 Si\n0.266285 0.534207 0.080486 Si\n0.766285 0.465793 0.419514 Si\n0.234405 0.160827 0.902148 Si\n0.734405 0.839173 0.597852 Si\n0.765595 0.839173 0.097852 Si\n0.265595 0.160827 0.402148 Si\n0.131015 0.718810 0.040645 O\n0.031520 0.774761 0.823251 O\n0.531520 0.225239 0.676749 O\n0.968480 0.225239 0.176749 O\n0.468480 0.774761 0.323251 O\n0.533223 0.366500 0.961361 O\n0.033223 0.633500 0.538639 O\n0.466777 0.633500 0.038639 O\n0.966777 0.366500 0.461361 O\n0.034629 0.072236 0.894312 O\n0.534629 0.927764 0.605688 O\n0.965371 0.927764 0.105688 O\n0.128275 0.080985 0.350355 O\n0.628275 0.919015 0.149645 O\n0.871725 0.919015 0.649645 O\n0.371725 0.080985 0.850355 O\n0.631015 0.281190 0.459355 O\n0.465371 0.072236 0.394312 O\n0.368985 0.718810 0.540645 O\n0.868985 0.281190 0.959355 O\n0.770135 0.941441 0.476235 O\n0.625981 0.285062 0.144592 O\n0.874019 0.285062 0.644592 O\n0.374019 0.714938 0.855408 O\n0.738641 0.266744 0.807501 O\n0.238641 0.733256 0.692499 O\n0.261359 0.733256 0.192499 O\n0.761359 0.266744 0.307501 O\n0.730975 0.616806 0.809205 O\n0.230975 0.383194 0.690795 O\n0.269025 0.383194 0.190795 O\n0.769025 0.616806 0.309205 O\n0.234308 0.383005 0.867332 O\n0.734308 0.616995 0.632668 O\n0.765692 0.616995 0.132668 O\n0.265692 0.383005 0.367332 O\n0.735716 0.949641 0.802024 O\n0.235716 0.050359 0.697976 O\n0.264284 0.050359 0.197976 O\n0.764284 0.949641 0.302024 O\n0.780409 0.588468 0.978172 O\n0.280409 0.411532 0.521828 O\n0.219591 0.411532 0.021828 O\n0.719591 0.588468 0.478172 O\n0.729865 0.941441 0.976235 O\n0.229865 0.058559 0.523765 O\n0.270135 0.058559 0.023765 O\n0.125981 0.714938 0.355408 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Mn",
"Be",
"Si",
"O"
],
"chemical_system": "Be-Mn-O-Si",
"density": 3.278744243260202,
"density_atomic": 0.09558024413834719,
"volume": 836.9930493607483,
"volume_molar": 6.300612447990067,
"formula_full": "Mn8 Be12 Si12 O48",
"formula_reduced": "Mn2Be3(SiO4)3",
"formula_anonymous": "A2B3C3D12",
"energy": -641.0379604000001,
"energy_per_atom": -8.012974505,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"band_gap": 0.2239,
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"is_magnetic": true,
"total_magnetization": 31.9984275,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.402000Z",
"spacegroup": 14
},
{
"id": "mp-849955",
"created_at": "2022-09-04T14:44:59.317631Z",
"structure_string": "Li9 Mn15 Fe6 O36\n1.0\n-5.105991 0.000000 0.000000\n-2.520658 -4.558255 0.000000\n-1.358398 -0.377390 29.404098\nLi Mn Fe O\n9 15 6 36\ndirect\n0.677531 0.146592 0.000518 Li\n0.664465 0.848423 0.339136 Li\n0.006417 0.837551 0.672673 Li\n0.978731 0.857727 0.161974 Li\n0.327942 0.836337 0.495681 Li\n0.656651 0.852365 0.830408 Li\n0.008696 0.154066 0.080733 Li\n0.334433 0.156033 0.416646 Li\n0.665239 0.153245 0.749865 Li\n0.328645 0.855295 0.249522 Mn\n0.663856 0.846302 0.582317 Mn\n0.001776 0.849274 0.916058 Mn\n0.671331 0.165636 0.249377 Mn\n0.003617 0.168175 0.582671 Mn\n0.662489 0.844781 0.083513 Mn\n0.333869 0.153524 0.917731 Mn\n0.995586 0.843021 0.416794 Mn\n0.667399 0.486424 0.163318 Mn\n0.330478 0.838142 0.750691 Mn\n0.993404 0.491111 0.495931 Mn\n0.010073 0.491865 0.001908 Mn\n0.332153 0.494853 0.831636 Mn\n0.346329 0.477809 0.336725 Mn\n0.677093 0.478980 0.670115 Mn\n0.341654 0.493446 0.083429 Fe\n0.677260 0.478612 0.416871 Fe\n0.011242 0.471316 0.750989 Fe\n0.999929 0.498980 0.249780 Fe\n0.331981 0.505550 0.582523 Fe\n0.669558 0.501201 0.916522 Fe\n0.364404 0.508964 0.212162 O\n0.661472 0.547498 0.541636 O\n0.361915 0.155850 0.288215 O\n0.652585 0.479136 0.286561 O\n0.347488 0.190789 0.047612 O\n0.003941 0.550434 0.876918 O\n0.671793 0.169491 0.618412 O\n0.000135 0.480587 0.619678 O\n0.675684 0.162999 0.382517 O\n0.650719 0.170685 0.118287 O\n0.364770 0.779473 0.122150 O\n0.002643 0.157456 0.954137 O\n0.337192 0.445397 0.957695 O\n0.009445 0.151107 0.714904 O\n0.990800 0.161783 0.451404 O\n0.699806 0.775414 0.454708 O\n0.958657 0.184799 0.207027 O\n0.655407 0.859608 0.214014 O\n0.331130 0.150259 0.786057 O\n0.041213 0.776768 0.790143 O\n0.290217 0.210899 0.541335 O\n0.007049 0.842526 0.547622 O\n0.684699 0.525424 0.046333 O\n0.993561 0.854551 0.284368 O\n0.999385 0.810972 0.048486 O\n0.614018 0.195119 0.875118 O\n0.331967 0.849214 0.881025 O\n0.984054 0.546725 0.378745 O\n0.357230 0.801289 0.619636 O\n0.952936 0.552269 0.123758 O\n0.352643 0.785371 0.380647 O\n0.321796 0.539047 0.712830 O\n0.721785 0.808498 0.957863 O\n0.286665 0.541940 0.456224 O\n0.681461 0.787425 0.713776 O\n0.626477 0.533819 0.790443 O\n",
"nsites": 66,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 4.361669479233183,
"density_atomic": 0.0964400467035035,
"volume": 684.3630032958325,
"volume_molar": 6.24443990421795,
"formula_full": "Li9 Mn15 Fe6 O36",
"formula_reduced": "Li3Mn5(FeO6)2",
"formula_anonymous": "A2B3C5D12",
"energy": -511.71740227,
"energy_per_atom": -7.753293973787878,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -448.42940227,
"band_gap": 0.1477999999999997,
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"is_magnetic": true,
"total_magnetization": 85.9988863,
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"updated_at": "2021-11-28T01:36:47.360000Z",
"spacegroup": 1
},
{
"id": "mp-1218683",
"created_at": "2022-09-04T14:44:59.646816Z",
"structure_string": "Sr2 Ta1 Mn1 O6\n1.0\n0.000000 4.017503 4.017503\n4.017503 0.000000 4.017503\n4.017503 4.017503 0.000000\nSr Ta Mn O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Mn\n0.752630 0.752630 0.247370 O\n0.247370 0.752630 0.247370 O\n0.752630 0.247370 0.247370 O\n0.247370 0.247370 0.752630 O\n0.752630 0.247370 0.752630 O\n0.247370 0.752630 0.752630 O\n",
"nsites": 10,
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"elements": [
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"Ta",
"Mn",
"O"
],
"chemical_system": "Mn-O-Sr-Ta",
"density": 6.493266121537293,
"density_atomic": 0.07710834380945492,
"volume": 129.68765124447938,
"volume_molar": 7.809972906280439,
"formula_full": "Sr2 Ta1 Mn1 O6",
"formula_reduced": "Sr2TaMnO6",
"formula_anonymous": "ABC2D6",
"energy": -84.89632408,
"energy_per_atom": -8.489632408,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:48.900000Z",
"spacegroup": 225
},
{
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