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{
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"results": [
{
"id": "mp-20657",
"created_at": "2022-09-04T14:39:25.905408Z",
"structure_string": "Li8 B4 Pd12\n1.0\n6.834153 0.000000 0.000000\n0.000000 6.834153 0.000000\n0.000000 0.000000 6.834153\nLi B Pd\n8 4 12\ndirect\n0.305681 0.305681 0.305681 Li\n0.055681 0.444319 0.555681 Li\n0.555681 0.055681 0.444319 Li\n0.444319 0.555681 0.055681 Li\n0.194319 0.694319 0.805681 Li\n0.944319 0.944319 0.944319 Li\n0.805681 0.194319 0.694319 Li\n0.694319 0.805681 0.194319 Li\n0.875000 0.375000 0.125000 B\n0.375000 0.125000 0.875000 B\n0.625000 0.625000 0.625000 B\n0.125000 0.875000 0.375000 B\n0.195056 0.054944 0.625000 Pd\n0.445056 0.375000 0.695056 Pd\n0.054944 0.625000 0.195056 Pd\n0.945056 0.125000 0.304944 Pd\n0.304944 0.945056 0.125000 Pd\n0.695056 0.445056 0.375000 Pd\n0.554944 0.875000 0.804944 Pd\n0.625000 0.195056 0.054944 Pd\n0.375000 0.695056 0.445056 Pd\n0.875000 0.804944 0.554944 Pd\n0.125000 0.304944 0.945056 Pd\n0.804944 0.554944 0.875000 Pd\n",
"nsites": 24,
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"spacegroup": 212
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{
"id": "mp-1234722",
"created_at": "2022-09-04T14:39:26.156806Z",
"structure_string": "Ca1 Nb2 Te4 Cl10 O1\n1.0\n6.939455 0.199908 0.067332\n2.597224 8.678129 1.317091\n-0.687370 -0.074627 9.605325\nCa Nb Te Cl O\n1 2 4 10 1\ndirect\n0.146595 0.042326 0.659753 Ca\n0.531738 0.622703 0.631700 Nb\n0.496412 0.360618 0.355707 Nb\n0.199003 0.913213 0.163007 Te\n0.070333 0.193476 0.985105 Te\n0.930431 0.808715 0.010241 Te\n0.757307 0.102565 0.856410 Te\n0.466314 0.170740 0.208379 Cl\n0.418326 0.490835 0.819563 Cl\n0.842615 0.180604 0.447158 Cl\n0.158946 0.525306 0.276975 Cl\n0.639459 0.492660 0.196271 Cl\n0.364224 0.216677 0.548114 Cl\n0.876644 0.499027 0.730335 Cl\n0.619788 0.797237 0.468355 Cl\n0.163623 0.776235 0.560889 Cl\n0.500126 0.841396 0.799280 Cl\n0.521822 0.487098 0.504189 O\n",
"nsites": 18,
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"elements": [
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"Te",
"Cl",
"O"
],
"chemical_system": "Ca-Cl-Nb-O-Te",
"density": 3.199999549183332,
"density_atomic": 0.03133980311923547,
"volume": 574.3494919708708,
"volume_molar": 19.215630478239298,
"formula_full": "Ca1 Nb2 Te4 Cl10 O1",
"formula_reduced": "CaNb2Te4Cl10O",
"formula_anonymous": "ABC2D4E10",
"energy": -85.98354717,
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"updated_at": "2021-11-28T01:34:40.493000Z",
"spacegroup": 1
},
{
"id": "mp-1205241",
"created_at": "2022-09-04T14:39:25.944083Z",
"structure_string": "Ba28 In8 Cu4 N14\n1.0\n9.450047 0.000000 0.000000\n0.000000 8.186066 0.000000\n-4.616502 0.000000 21.437767\nBa In Cu N\n28 8 4 14\ndirect\n0.251891 0.250991 0.392945 Ba\n0.251891 0.749009 0.392945 Ba\n0.748109 0.749009 0.607055 Ba\n0.748109 0.250991 0.607055 Ba\n0.075396 0.252394 0.191035 Ba\n0.075396 0.747606 0.191035 Ba\n0.924604 0.747606 0.808965 Ba\n0.924604 0.252394 0.808965 Ba\n0.659103 0.266073 0.414521 Ba\n0.659103 0.733927 0.414521 Ba\n0.340897 0.733927 0.585479 Ba\n0.340897 0.266073 0.585479 Ba\n0.327948 0.500000 0.092919 Ba\n0.672052 0.500000 0.907081 Ba\n0.248276 0.500000 0.916214 Ba\n0.751724 0.500000 0.083786 Ba\n0.415462 0.000000 0.288882 Ba\n0.584538 0.000000 0.711118 Ba\n0.330986 0.000000 0.091030 Ba\n0.669014 0.000000 0.908970 Ba\n0.247079 0.000000 0.912403 Ba\n0.752921 0.000000 0.087597 Ba\n0.888931 0.000000 0.307066 Ba\n0.111069 0.000000 0.692934 Ba\n0.000000 0.252494 0.000000 Ba\n0.000000 0.747506 0.000000 Ba\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 Ba\n0.364346 0.299359 0.780675 In\n0.364346 0.700641 0.780675 In\n0.635654 0.700641 0.219325 In\n0.635654 0.299359 0.219325 In\n0.438397 0.500000 0.281618 In\n0.561603 0.500000 0.718382 In\n0.858279 0.500000 0.308064 In\n0.141721 0.500000 0.691936 In\n0.500000 0.243917 0.000000 Cu\n0.500000 0.756083 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.302577 0.242595 0.002912 N\n0.302577 0.757405 0.002912 N\n0.697423 0.757405 0.997088 N\n0.697423 0.242595 0.997088 N\n0.297337 0.500000 0.494300 N\n0.702663 0.500000 0.505700 N\n0.046405 0.500000 0.102291 N\n0.953595 0.500000 0.897709 N\n0.472361 0.000000 0.412723 N\n0.527639 0.000000 0.587277 N\n0.145220 0.000000 0.299305 N\n0.854780 0.000000 0.700695 N\n0.052545 0.000000 0.114359 N\n0.947455 0.000000 0.885641 N\n",
"nsites": 54,
"nelements": 4,
"elements": [
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"In",
"Cu",
"N"
],
"chemical_system": "Ba-Cu-In-N",
"density": 5.220709384127689,
"density_atomic": 0.03256154498036564,
"volume": 1658.397967067029,
"volume_molar": 18.494640729213877,
"formula_full": "Ba28 In8 Cu4 N14",
"formula_reduced": "Ba14In4Cu2N7",
"formula_anonymous": "A2B4C7D14",
"energy": -233.32029127,
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"updated_at": "2021-11-28T01:34:25.569000Z",
"spacegroup": 10
},
{
"id": "mp-1175310",
"created_at": "2022-09-04T14:39:26.078317Z",
"structure_string": "Li14 Mn10 O24\n1.0\n3.075750 0.029235 4.959253\n1.695890 14.567513 0.645377\n-5.959643 -0.167505 0.280978\nLi Mn O\n14 10 24\ndirect\n0.332979 0.166727 0.249485 Li\n0.333684 0.166597 0.750110 Li\n0.833296 0.666667 0.499898 Li\n0.833335 0.666688 0.000187 Li\n0.833318 0.166596 0.749983 Li\n0.833298 0.166737 0.249966 Li\n0.157549 0.325945 0.478844 Li\n0.157179 0.325822 0.978432 Li\n0.509168 0.007408 0.521097 Li\n0.509452 0.007504 0.021387 Li\n0.006705 0.501213 0.252669 Li\n0.007509 0.500999 0.753237 Li\n0.660036 0.832163 0.747568 Li\n0.659190 0.832323 0.246723 Li\n0.333426 0.666699 0.499849 Mn\n0.333346 0.666671 0.000358 Mn\n0.993458 0.007477 0.513175 Mn\n0.993445 0.007430 0.013179 Mn\n0.673238 0.325824 0.486913 Mn\n0.673199 0.325913 0.986832 Mn\n0.495334 0.497184 0.732626 Mn\n0.495306 0.496755 0.232897 Mn\n0.171569 0.836187 0.267512 Mn\n0.171045 0.836552 0.767002 Mn\n0.145479 0.073700 0.360323 O\n0.145775 0.073637 0.860410 O\n0.521154 0.259661 0.639641 O\n0.520762 0.259693 0.139425 O\n0.978077 0.256732 0.611650 O\n0.978140 0.256785 0.111989 O\n0.688580 0.076572 0.388150 O\n0.688474 0.076541 0.887920 O\n0.800658 0.407346 0.828790 O\n0.800262 0.407535 0.328864 O\n0.866319 0.925807 0.671081 O\n0.866079 0.925924 0.171185 O\n0.648065 0.583245 0.624897 O\n0.647706 0.582837 0.123777 O\n0.018623 0.750077 0.375079 O\n0.018987 0.750505 0.876505 O\n0.487177 0.751791 0.390133 O\n0.486428 0.751845 0.890330 O\n0.179928 0.581454 0.109795 O\n0.179906 0.581607 0.609949 O\n0.312378 0.917536 0.644291 O\n0.312113 0.917703 0.145060 O\n0.354241 0.415791 0.355732 O\n0.354625 0.415596 0.855094 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
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"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.8721785443972623,
"density_atomic": 0.10861320761022278,
"volume": 441.93520342623776,
"volume_molar": 5.544575003816746,
"formula_full": "Li14 Mn10 O24",
"formula_reduced": "Li7Mn5O12",
"formula_anonymous": "A5B7C12",
"energy": -338.73882552000003,
"energy_per_atom": -7.057058865000001,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:31.918000Z",
"spacegroup": 2
},
{
"id": "mp-1100631",
"created_at": "2022-09-04T14:39:26.092563Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.553044 -0.000000 -1.318403\n1.900997 39.384484 0.550074\n-0.075051 0.087963 2.985809\nLi Mn Co O\n9 2 5 16\ndirect\n0.250299 0.062516 0.563114 Li\n0.743952 0.189314 0.677217 Li\n0.251225 0.312285 0.814736 Li\n0.739841 0.438838 0.918519 Li\n0.258691 0.561899 0.079281 Li\n0.750539 0.687484 0.188562 Li\n0.251902 0.811381 0.315185 Li\n0.754923 0.936207 0.446053 Li\n0.000825 0.499772 0.501422 Li\n0.001826 0.999375 0.003027 Mn\n0.498219 0.125397 0.121835 Mn\n0.999307 0.250682 0.249297 Co\n0.498750 0.374062 0.371563 Co\n0.498985 0.626141 0.624111 Co\n0.000488 0.750234 0.751210 Co\n0.500253 0.874259 0.874766 Co\n0.602013 0.028786 0.232812 O\n0.100754 0.154336 0.355844 O\n0.632951 0.279334 0.545237 O\n0.119606 0.399877 0.639089 O\n0.623792 0.532280 0.779864 O\n0.126518 0.654963 0.907998 O\n0.607583 0.778150 0.993316 O\n0.132574 0.902517 0.167665 O\n0.897875 0.095802 0.891551 O\n0.365727 0.221871 0.953325 O\n0.884933 0.346714 0.116579 O\n0.376998 0.466970 0.220966 O\n0.869803 0.599070 0.338675 O\n0.389698 0.723039 0.502434 O\n0.867238 0.846358 0.580834 O\n0.401913 0.970087 0.773914 O\n",
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"elements": [
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"density": 4.056219149638881,
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"volume": 295.9830653993184,
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"formula_full": "Li9 Mn2 Co5 O16",
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"updated_at": "2021-11-28T01:34:38.672000Z",
"spacegroup": 8
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{
"id": "mp-1048868",
"created_at": "2022-09-04T14:39:25.907020Z",
"structure_string": "Mg2 Mn4 O8\n1.0\n5.232699 -3.038506 0.000000\n5.232699 3.038506 0.000000\n3.468310 0.000000 4.958275\nMg Mn O\n2 4 8\ndirect\n0.992512 0.992512 0.992512 Mg\n0.374593 0.374593 0.374593 Mg\n0.755833 0.755833 0.755833 Mn\n0.374308 0.877041 0.374308 Mn\n0.877041 0.374308 0.374308 Mn\n0.374308 0.374308 0.877041 Mn\n0.618501 0.618501 0.170831 O\n0.170831 0.618501 0.618501 O\n0.618501 0.170831 0.618501 O\n0.619725 0.619725 0.619725 O\n0.128050 0.128050 0.128050 O\n0.130663 0.584480 0.130663 O\n0.584480 0.130663 0.130663 O\n0.130663 0.130663 0.584480 O\n",
"nsites": 14,
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"density": 4.174357004891371,
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"volume": 157.66905251611294,
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"formula_full": "Mg2 Mn4 O8",
"formula_reduced": "MgMn2O4",
"formula_anonymous": "AB2C4",
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"updated_at": "2021-11-28T01:34:36.551000Z",
"spacegroup": 160
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{
"id": "mp-1014005",
"created_at": "2022-09-04T14:39:26.102757Z",
"structure_string": "Mn2 Si1 Rh1\n1.0\n0.000000 2.997343 2.997343\n2.997343 0.000000 2.997343\n2.997343 2.997343 0.000000\nMn Si Rh\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Mn\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 Rh\n",
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"volume": 53.85664903616702,
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"formula_full": "Mn2 Si1 Rh1",
"formula_reduced": "Mn2SiRh",
"formula_anonymous": "ABC2",
"energy": -31.57013284,
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"spacegroup": 225
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{
"id": "mp-1041949",
"created_at": "2022-09-04T14:39:26.111771Z",
"structure_string": "Ca2 V4 O8\n1.0\n-3.131487 3.151552 4.434399\n3.131487 -3.151552 4.434399\n3.131487 3.151552 -4.434399\nCa V O\n2 4 8\ndirect\n0.500000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.885025 0.135025 0.750000 V\n0.114975 0.864975 0.250000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.500000 0.500000 V\n0.737446 0.727594 0.009852 O\n0.241093 0.725015 0.983922 O\n0.217743 0.727594 0.490148 O\n0.241093 0.257171 0.516078 O\n0.758907 0.742829 0.483922 O\n0.758907 0.274985 0.016078 O\n0.782257 0.272406 0.509852 O\n0.262554 0.272406 0.990148 O\n",
"nsites": 14,
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"elements": [
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"formula_full": "Ca2 V4 O8",
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"energy": -115.50757117,
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"spacegroup": 74
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{
"id": "mp-1017453",
"created_at": "2022-09-04T14:39:25.880912Z",
"structure_string": "Ce2 Mg12 Cr2\n1.0\n5.035373 0.000000 0.000000\n0.000000 6.522096 0.000000\n0.000000 0.000000 11.411737\nCe Mg Cr\n2 12 2\ndirect\n0.000000 0.500000 0.322324 Ce\n0.000000 0.000000 0.822324 Ce\n0.000000 0.738682 0.078448 Mg\n0.000000 0.261318 0.078448 Mg\n0.000000 0.000000 0.338190 Mg\n0.500000 0.241393 0.423696 Mg\n0.500000 0.758607 0.423696 Mg\n0.500000 0.000000 0.167459 Mg\n0.000000 0.238682 0.578448 Mg\n0.000000 0.761318 0.578448 Mg\n0.000000 0.500000 0.838190 Mg\n0.500000 0.741392 0.923696 Mg\n0.500000 0.258608 0.923696 Mg\n0.500000 0.500000 0.667459 Mg\n0.500000 0.500000 0.167739 Cr\n0.500000 0.000000 0.667739 Cr\n",
"nsites": 16,
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"elements": [
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],
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"density": 2.9946826303729677,
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"volume": 374.77497856188813,
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"formula_full": "Ce2 Mg12 Cr2",
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"formula_anonymous": "ABC6",
"energy": -46.88408544,
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"spacegroup": 38
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{
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{
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{
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}