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{
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{
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{
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{
"id": "mp-1174949",
"created_at": "2022-09-04T14:39:05.567106Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n5.190242 0.000000 0.000000\n-0.001153 5.736970 0.000000\n-2.357049 -1.433886 7.195697\nLi Mn Co O\n7 2 3 12\ndirect\n0.494267 0.248692 0.001288 Li\n0.154749 0.413030 0.654339 Li\n0.841983 0.586415 0.343810 Li\n0.500449 0.753413 0.006427 Li\n0.171901 0.913617 0.653640 Li\n0.841582 0.085472 0.343985 Li\n0.332439 0.834138 0.334126 Li\n0.998164 0.000827 0.003367 Mn\n0.002668 0.501256 0.004252 Mn\n0.659936 0.161380 0.655461 Co\n0.330898 0.333511 0.334483 Co\n0.657497 0.665529 0.655092 Co\n0.903656 0.286733 0.143505 O\n0.622485 0.459747 0.828888 O\n0.277432 0.608070 0.499248 O\n0.913216 0.786019 0.148684 O\n0.612762 0.957731 0.836478 O\n0.279628 0.141000 0.501082 O\n0.070409 0.212876 0.849327 O\n0.751716 0.375203 0.500494 O\n0.369362 0.528019 0.162776 O\n0.082799 0.714488 0.856647 O\n0.762570 0.879007 0.519035 O\n0.367432 0.053826 0.163565 O\n",
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"density_atomic": 0.11201293774906376,
"volume": 214.26096379835909,
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"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
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"spacegroup": 1
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{
"id": "mp-1186135",
"created_at": "2022-09-04T14:39:05.573163Z",
"structure_string": "Na1 Li2 Sn1\n1.0\n0.000000 3.462257 3.462257\n3.462257 0.000000 3.462257\n3.462257 3.462257 0.000000\nNa Li Sn\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Na\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Sn\n",
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"formula_full": "Na1 Li2 Sn1",
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{
"id": "mp-1218835",
"created_at": "2022-09-04T14:39:05.575666Z",
"structure_string": "Sn2 Ge2 Se4\n1.0\n4.038015 0.000000 0.000000\n0.000000 4.572809 0.000000\n0.000000 0.000000 11.446384\nSn Ge Se\n2 2 4\ndirect\n0.500000 0.353142 0.385589 Sn\n0.500000 0.646858 0.885589 Sn\n0.000000 0.126519 0.625609 Ge\n0.000000 0.873481 0.125609 Ge\n0.000000 0.234500 0.845547 Se\n0.000000 0.765500 0.345547 Se\n0.500000 0.239518 0.143255 Se\n0.500000 0.760482 0.643255 Se\n",
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{
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"created_at": "2022-09-04T14:39:05.580696Z",
"structure_string": "Li4 Fe4 Ni2 O12\n1.0\n2.523948 -4.373081 0.000000\n2.523948 4.373081 0.000000\n0.000000 0.000000 10.158643\nLi Fe Ni O\n4 4 2 12\ndirect\n0.158804 0.658804 0.250000 Li\n0.341196 0.841196 0.750000 Li\n0.658804 0.158804 0.250000 Li\n0.841196 0.341196 0.750000 Li\n0.335770 0.664230 0.000000 Fe\n0.164230 0.835770 0.500000 Fe\n0.835770 0.164230 0.500000 Fe\n0.664230 0.335770 0.000000 Fe\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.144331 0.507392 0.604562 O\n0.855669 0.492608 0.395438 O\n0.007392 0.644331 0.895438 O\n0.355669 0.992608 0.104562 O\n0.648643 0.648643 0.098099 O\n0.851357 0.851357 0.598099 O\n0.148643 0.148643 0.401901 O\n0.492608 0.855669 0.395438 O\n0.351357 0.351357 0.901901 O\n0.644331 0.007392 0.895438 O\n0.992608 0.355669 0.104562 O\n0.507392 0.144331 0.604562 O\n",
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{
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"structure_string": "Pu4 In2 Ni4\n1.0\n7.324588 0.000000 0.000000\n0.000000 7.324588 0.000000\n0.000000 0.000000 3.481545\nPu In Ni\n4 2 4\ndirect\n0.665348 0.165348 0.500000 Pu\n0.165348 0.334652 0.500000 Pu\n0.834652 0.665348 0.500000 Pu\n0.334652 0.834652 0.500000 Pu\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 In\n0.367373 0.132627 0.000000 Ni\n0.867373 0.367373 0.000000 Ni\n0.632627 0.867373 0.000000 Ni\n0.132627 0.632627 0.000000 Ni\n",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:24.977000Z",
"spacegroup": 127
},
{
"id": "mp-1246531",
"created_at": "2022-09-04T14:39:05.467382Z",
"structure_string": "Sr12 Y8 N16\n1.0\n6.358043 0.000000 0.000000\n0.000000 12.494639 0.000000\n0.000000 0.000000 10.233117\nSr Y N\n12 8 16\ndirect\n0.682605 0.172661 0.396168 Sr\n0.817395 0.827339 0.396168 Sr\n0.682605 0.327339 0.103832 Sr\n0.817395 0.672661 0.103832 Sr\n0.317395 0.827339 0.603832 Sr\n0.182605 0.172661 0.603832 Sr\n0.317395 0.672661 0.896168 Sr\n0.182605 0.327339 0.896168 Sr\n0.750000 0.500000 0.437741 Sr\n0.750000 -0.000000 0.062259 Sr\n0.250000 0.500000 0.562259 Sr\n0.250000 -0.000000 0.937741 Sr\n0.750000 0.500000 0.790358 Y\n0.750000 -0.000000 0.709642 Y\n0.250000 0.500000 0.209642 Y\n0.250000 -0.000000 0.290358 Y\n0.731525 0.250000 0.750000 Y\n0.768475 0.750000 0.750000 Y\n0.268475 0.750000 0.250000 Y\n0.231525 0.250000 0.250000 Y\n0.955795 0.384562 0.666598 N\n0.544205 0.615438 0.666598 N\n0.955795 0.115438 0.833402 N\n0.544205 0.884562 0.833402 N\n0.044205 0.615438 0.333402 N\n0.455795 0.384562 0.333402 N\n0.044205 0.884562 0.166598 N\n0.455795 0.115438 0.166598 N\n0.561347 0.363783 0.880682 N\n0.938653 0.636217 0.880682 N\n0.561347 0.136217 0.619318 N\n0.938653 0.863783 0.619318 N\n0.438653 0.636217 0.119318 N\n0.061347 0.363783 0.119318 N\n0.438653 0.863783 0.380682 N\n0.061347 0.136217 0.380682 N\n",
"nsites": 36,
"nelements": 3,
"elements": [
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"Y",
"N"
],
"chemical_system": "N-Sr-Y",
"density": 4.058325005707711,
"density_atomic": 0.044284055615994335,
"volume": 812.9336732879918,
"volume_molar": 13.598891691900386,
"formula_full": "Sr12 Y8 N16",
"formula_reduced": "Sr3Y2N4",
"formula_anonymous": "A2B3C4",
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"total_magnetization": 0.003935,
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"updated_at": "2021-11-28T01:34:39.434000Z",
"spacegroup": 52
}
]
}