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{
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"results": [
{
"id": "mp-766030",
"created_at": "2022-09-04T14:46:31.355646Z",
"structure_string": "Li12 Mn4 O10 F4\n1.0\n5.830261 0.000000 0.000000\n-2.738683 5.158281 0.000000\n-1.301518 -1.221382 9.692555\nLi Mn O F\n12 4 10 4\ndirect\n0.130329 0.471453 0.609950 Li\n0.121307 0.901218 0.599321 Li\n0.145459 0.679275 0.106629 Li\n0.148768 0.226672 0.102636 Li\n0.408351 0.336205 0.880465 Li\n0.409102 0.067081 0.392631 Li\n0.577259 0.912323 0.611923 Li\n0.586737 0.670473 0.106891 Li\n0.889404 0.824437 0.899607 Li\n0.869925 0.319353 0.891906 Li\n0.843400 0.059223 0.404249 Li\n0.853245 0.516232 0.391131 Li\n0.400666 0.824338 0.874234 Mn\n0.352167 0.537620 0.368211 Mn\n0.615516 0.424841 0.634949 Mn\n0.645758 0.200432 0.132100 Mn\n0.252754 0.518908 0.971017 O\n0.236308 0.729253 0.474823 O\n0.510985 0.139924 0.755411 O\n0.496300 0.628988 0.745485 O\n0.301274 0.017617 0.006688 O\n0.769655 0.026078 0.011021 O\n0.492454 0.361550 0.247625 O\n0.689618 0.688932 0.498522 O\n0.747413 0.250305 0.527276 O\n0.999845 0.369100 0.246765 O\n0.197201 0.194042 0.498833 F\n0.517881 0.870651 0.252193 F\n0.009442 0.689275 0.747945 F\n0.781479 0.544203 0.009560 F\n",
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"F"
],
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"density": 3.070663387016692,
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"volume": 291.4951061937974,
"volume_molar": 5.8514152011673195,
"formula_full": "Li12 Mn4 O10 F4",
"formula_reduced": "Li6Mn2O5F2",
"formula_anonymous": "A2B2C5D6",
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"updated_at": "2021-11-28T01:37:39.209000Z",
"spacegroup": 1
},
{
"id": "mp-831162",
"created_at": "2022-09-04T14:46:31.429153Z",
"structure_string": "Li4 Mn4 Si4 O16\n1.0\n5.109899 0.000000 0.000000\n0.000000 7.058252 0.000000\n0.000000 0.000000 9.490295\nLi Mn Si O\n4 4 4 16\ndirect\n0.247542 0.530684 0.182424 Li\n0.747542 0.030684 0.317576 Li\n0.247542 0.969316 0.682424 Li\n0.747542 0.469316 0.817576 Li\n0.186029 0.024366 0.117626 Mn\n0.686029 0.524366 0.382374 Mn\n0.186029 0.475634 0.617626 Mn\n0.686029 0.975634 0.882374 Mn\n0.762009 0.739121 0.091166 Si\n0.262009 0.239121 0.408834 Si\n0.762009 0.760879 0.591166 Si\n0.262009 0.260879 0.908834 Si\n0.219748 0.292542 0.079584 O\n0.071789 0.765191 0.132000 O\n0.628701 0.574280 0.185506 O\n0.630030 0.958395 0.098512 O\n0.130030 0.458395 0.401488 O\n0.128701 0.074280 0.314494 O\n0.571789 0.265191 0.368000 O\n0.719748 0.792542 0.420416 O\n0.219748 0.207458 0.579584 O\n0.071789 0.734809 0.632000 O\n0.628701 0.925720 0.685506 O\n0.630030 0.541605 0.598512 O\n0.130030 0.041605 0.901488 O\n0.128701 0.425720 0.814494 O\n0.571789 0.234809 0.868000 O\n0.719748 0.707458 0.920416 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Si",
"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 2.98767844216714,
"density_atomic": 0.08180292689086681,
"volume": 342.28604115051735,
"volume_molar": 7.361766857112742,
"formula_full": "Li4 Mn4 Si4 O16",
"formula_reduced": "LiMnSiO4",
"formula_anonymous": "ABCD4",
"energy": -217.33516152,
"energy_per_atom": -7.761970054285714,
"energy_above_hull": null,
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"energy_uncorrected": -199.67116152,
"band_gap": 1.2187,
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"is_magnetic": true,
"total_magnetization": 16.0010737,
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"updated_at": "2021-11-28T01:37:37.207000Z",
"spacegroup": 33
},
{
"id": "mp-1220448",
"created_at": "2022-09-04T14:46:31.502587Z",
"structure_string": "Nd2 In3 Ni1\n1.0\n0.000000 0.000000 -3.828984\n-2.384834 -4.130044 0.000000\n-7.171363 4.139776 0.000000\nNd In Ni\n2 3 1\ndirect\n0.000000 0.999982 0.028252 Nd\n0.000000 0.500059 0.484921 Nd\n0.500000 0.499960 0.836160 In\n0.500000 0.499946 0.181524 In\n0.500000 0.999993 0.644228 In\n0.500000 0.999861 0.324915 Ni\n",
"nsites": 6,
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"elements": [
"Nd",
"In",
"Ni"
],
"chemical_system": "In-Nd-Ni",
"density": 7.595303977581069,
"density_atomic": 0.039680086546493853,
"volume": 151.20934761494775,
"volume_molar": 15.176732926083094,
"formula_full": "Nd2 In3 Ni1",
"formula_reduced": "Nd2In3Ni",
"formula_anonymous": "AB2C3",
"energy": -26.020744359999995,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:33.383000Z",
"spacegroup": 25
},
{
"id": "mp-1175903",
"created_at": "2022-09-04T14:46:31.634775Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.143514 0.000000 0.000000\n0.884956 7.648175 0.000000\n2.512027 0.770167 7.305542\nLi Mn Co O\n9 2 5 16\ndirect\n0.505563 0.815162 0.056466 Li\n0.491584 0.683592 0.441746 Li\n0.499729 0.441129 0.189956 Li\n0.499849 0.313017 0.557798 Li\n0.494589 0.064373 0.317274 Li\n0.507442 0.926062 0.688634 Li\n0.496407 0.569583 0.807157 Li\n0.502669 0.187152 0.938253 Li\n0.999397 0.747777 0.751320 Li\n0.001552 0.999466 0.996916 Mn\n0.003727 0.377537 0.874542 Mn\n0.997751 0.873519 0.381832 Co\n0.006447 0.628206 0.118328 Co\n0.998206 0.503943 0.505121 Co\n0.994860 0.255148 0.255086 Co\n0.997779 0.114747 0.625203 Co\n0.774693 0.974681 0.850498 O\n0.776385 0.855686 0.206983 O\n0.779346 0.579553 0.973040 O\n0.769450 0.462489 0.335671 O\n0.778119 0.217374 0.078836 O\n0.760376 0.095435 0.468979 O\n0.762109 0.709395 0.578341 O\n0.781027 0.340031 0.723377 O\n0.229659 0.653603 0.280840 O\n0.231684 0.515264 0.669169 O\n0.225751 0.284460 0.412130 O\n0.223553 0.155668 0.796037 O\n0.228669 0.914558 0.521089 O\n0.235324 0.795600 0.918513 O\n0.230230 0.405514 0.024355 O\n0.216077 0.040276 0.156510 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.177515693043011,
"density_atomic": 0.11134732642040393,
"volume": 287.38902880506106,
"volume_molar": 5.408428701074288,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -209.20270686,
"energy_per_atom": -6.537584589375,
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"energy_uncorrected": -186.68470686,
"band_gap": 1.4708,
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"updated_at": "2021-11-28T01:37:34.402000Z",
"spacegroup": 1
},
{
"id": "mp-1522212",
"created_at": "2022-09-04T14:46:31.745745Z",
"structure_string": "Sr2 Ce2 Eu2 Nb2 O12\n1.0\n5.870835 0.007400 -0.025058\n-0.000105 6.093070 0.011921\n-0.047332 0.005510 8.442963\nSr Ce Eu Nb O\n2 2 2 2 12\ndirect\n0.981553 0.060990 0.251682 Sr\n0.018447 0.939010 0.748318 Sr\n0.000000 0.500000 -0.000000 Ce\n0.500000 -0.000000 0.500000 Ce\n0.519051 0.562919 0.248003 Eu\n0.480949 0.437081 0.751997 Eu\n0.500000 -0.000000 -0.000000 Nb\n0.000000 0.500000 0.500000 Nb\n0.216746 0.187906 0.945134 O\n0.285831 0.684866 0.556121 O\n0.783254 0.812094 0.054866 O\n0.714169 0.315134 0.443879 O\n0.321047 0.713596 0.944822 O\n0.181824 0.216796 0.554646 O\n0.678953 0.286404 0.055178 O\n0.818176 0.783204 0.445354 O\n0.398652 0.970759 0.233058 O\n0.107497 0.474415 0.267022 O\n0.601348 0.029241 0.766942 O\n0.892503 0.525585 0.732978 O\n",
"nsites": 20,
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"elements": [
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"Ce",
"Eu",
"Nb",
"O"
],
"chemical_system": "Ce-Eu-Nb-O-Sr",
"density": 6.252707119899744,
"density_atomic": 0.06622317678450872,
"volume": 302.0090694996455,
"volume_molar": 9.093705636617438,
"formula_full": "Sr2 Ce2 Eu2 Nb2 O12",
"formula_reduced": "SrCeEuNbO6",
"formula_anonymous": "ABCDE6",
"energy": -182.96341057,
"energy_per_atom": -9.1481705285,
"energy_above_hull": null,
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"energy_uncorrected": -174.71941057000004,
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"updated_at": "2021-11-28T01:37:36.929000Z",
"spacegroup": 2
},
{
"id": "mp-1201449",
"created_at": "2022-09-04T14:46:32.220497Z",
"structure_string": "Cu1 H38 C12 S8 O14\n1.0\n8.474111 0.000000 0.000000\n0.219420 9.746813 0.000000\n0.188342 1.408846 9.736714\nCu H C S O\n1 38 12 8 14\ndirect\n0.500000 0.500000 0.500000 Cu\n0.078088 0.773496 0.540387 H\n0.921912 0.226504 0.459613 H\n0.984632 0.801084 0.375009 H\n0.015368 0.198916 0.624991 H\n0.961167 0.638441 0.486605 H\n0.038833 0.361559 0.513395 H\n0.211488 0.534550 0.185676 H\n0.788512 0.465450 0.814324 H\n0.036809 0.503033 0.291306 H\n0.963191 0.496967 0.708694 H\n0.058246 0.665335 0.176795 H\n0.941754 0.334665 0.823205 H\n0.552342 0.281482 0.202700 H\n0.447658 0.718518 0.797300 H\n0.585010 0.109341 0.290805 H\n0.414990 0.890659 0.709195 H\n0.433996 0.141667 0.162153 H\n0.566004 0.858333 0.837847 H\n0.193766 0.049101 0.499128 H\n0.806234 0.950899 0.500872 H\n0.229949 0.017613 0.325327 H\n0.770051 0.982387 0.674673 H\n0.382481 0.979076 0.452162 H\n0.617519 0.020924 0.547838 H\n0.470418 0.149725 0.746032 H\n0.529582 0.850275 0.253968 H\n0.532834 0.220509 0.895834 H\n0.467166 0.779491 0.104166 H\n0.343507 0.136253 0.896425 H\n0.656493 0.863747 0.103575 H\n0.226920 0.520705 0.904309 H\n0.773080 0.479295 0.095691 H\n0.211886 0.342241 0.984575 H\n0.788114 0.657759 0.015425 H\n0.398562 0.427481 0.981970 H\n0.601438 0.572519 0.018030 H\n0.144124 0.964090 0.026371 H\n0.855876 0.035910 0.973629 H\n0.040782 0.724346 0.453071 C\n0.959218 0.275654 0.546929 C\n0.118828 0.581765 0.243856 C\n0.881172 0.418235 0.756144 C\n0.496027 0.183713 0.243322 C\n0.503973 0.816287 0.756678 C\n0.282909 0.048241 0.416958 C\n0.717091 0.951759 0.583042 C\n0.431898 0.199176 0.834419 C\n0.568102 0.800824 0.165581 C\n0.288855 0.419891 0.926326 C\n0.711145 0.580109 0.073674 C\n0.213742 0.659902 0.374183 S\n0.786258 0.340098 0.625817 S\n0.352294 0.222080 0.370949 S\n0.647706 0.777920 0.629051 S\n0.336976 0.359937 0.766264 S\n0.663024 0.640063 0.233736 S\n0.056922 0.862870 0.861938 S\n0.943078 0.137130 0.138062 S\n0.270401 0.537415 0.480492 O\n0.729599 0.462585 0.519508 O\n0.445740 0.253984 0.493049 O\n0.554260 0.746016 0.506951 O\n0.472459 0.454301 0.705349 O\n0.527541 0.545699 0.294651 O\n0.172817 0.875088 0.988098 O\n0.827183 0.124912 0.011902 O\n0.894675 0.890142 0.916180 O\n0.105325 0.109858 0.083820 O\n0.079674 0.720609 0.836174 O\n0.920326 0.279391 0.163826 O\n0.103146 0.969154 0.748540 O\n0.896854 0.030846 0.251460 O\n",
"nsites": 73,
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"elements": [
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"H",
"C",
"S",
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],
"chemical_system": "C-Cu-H-O-S",
"density": 1.500058441902307,
"density_atomic": 0.09077236783290926,
"volume": 804.2094939549881,
"volume_molar": 6.634332565925079,
"formula_full": "Cu1 H38 C12 S8 O14",
"formula_reduced": "CuH38C12(S4O7)2",
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"energy": -387.84640343000007,
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"updated_at": "2021-11-28T01:37:33.074000Z",
"spacegroup": 2
},
{
"id": "mp-1205342",
"created_at": "2022-09-04T14:46:32.273560Z",
"structure_string": "K2 Ag6 Te4\n1.0\n2.319346 8.847284 0.000000\n-2.319346 8.847284 0.000000\n0.000000 3.791413 8.451849\nK Ag Te\n2 6 4\ndirect\n0.133897 0.133897 0.951709 K\n0.866103 0.866103 0.048291 K\n0.589201 0.589201 0.371038 Ag\n0.410799 0.410799 0.628962 Ag\n0.692133 0.692133 0.543596 Ag\n0.307867 0.307867 0.456404 Ag\n0.063746 0.063746 0.590210 Ag\n0.936254 0.936254 0.409790 Ag\n0.204927 0.204927 0.292680 Te\n0.795073 0.795073 0.707320 Te\n0.518044 0.518044 0.779149 Te\n0.481956 0.481956 0.220851 Te\n",
"nsites": 12,
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"elements": [
"K",
"Ag",
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],
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"density": 5.91618970810971,
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"volume": 346.86240821823424,
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"formula_full": "K2 Ag6 Te4",
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"energy": -38.03091822,
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},
{
"id": "mp-645279",
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