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{
"id": "mp-1017543",
"created_at": "2022-09-04T14:40:26.223146Z",
"structure_string": "Zr1 Pd3\n1.0\n4.039531 0.000000 0.000000\n0.000000 4.039531 0.000000\n0.000000 0.000000 4.039531\nZr Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n",
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{
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},
{
"id": "mp-1189141",
"created_at": "2022-09-04T14:40:25.234622Z",
"structure_string": "Ho10 Pt6\n1.0\n0.000000 0.000000 -6.151579\n-4.211947 -7.295307 0.000000\n-4.211389 7.294984 0.000000\nHo Pt\n10 6\ndirect\n0.500002 0.333333 0.666727 Ho\n0.500002 0.666606 0.333273 Ho\n0.000002 0.666667 0.333273 Ho\n0.000002 0.333394 0.666727 Ho\n0.750004 0.244606 0.000000 Ho\n0.749994 0.755368 0.755360 Ho\n0.749994 0.000008 0.244640 Ho\n0.250004 0.755394 0.000000 Ho\n0.249994 0.244632 0.244640 Ho\n0.249994 0.999992 0.755360 Ho\n0.749998 0.607437 0.000000 Pt\n0.750003 0.392535 0.392526 Pt\n0.750003 0.000009 0.607474 Pt\n0.249998 0.392563 0.000000 Pt\n0.250003 0.607465 0.607474 Pt\n0.250003 0.999991 0.392526 Pt\n",
"nsites": 16,
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"elements": [
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"chemical_system": "Ho-Pt",
"density": 12.38693402917469,
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"volume": 378.011217695323,
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"formula_full": "Ho10 Pt6",
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"total_magnetization": 2.14e-05,
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"updated_at": "2021-11-28T01:35:06.301000Z",
"spacegroup": 193
},
{
"id": "mp-568793",
"created_at": "2022-09-04T14:40:25.810285Z",
"structure_string": "Ca28 Ga11\n1.0\n5.280969 0.000000 -0.454217\n-0.077479 7.419125 -0.900806\n0.003484 -0.004672 30.967257\nCa Ga\n28 11\ndirect\n0.817783 0.918460 0.635566 Ca\n0.560004 0.234883 0.120009 Ca\n0.724037 0.253698 0.448073 Ca\n0.637204 0.172746 0.274408 Ca\n0.323933 0.241798 0.647866 Ca\n0.853153 0.566956 0.706306 Ca\n0.543465 0.670486 0.086929 Ca\n0.000000 0.555241 0.000000 Ca\n0.617333 0.594302 0.234665 Ca\n0.917109 0.530224 0.834219 Ca\n0.262192 0.258413 0.524384 Ca\n0.275963 0.805625 0.551927 Ca\n0.903345 0.989621 0.806689 Ca\n0.362796 0.898339 0.725592 Ca\n0.456535 0.583557 0.913071 Ca\n0.676067 0.593932 0.352134 Ca\n0.439996 0.114874 0.879991 Ca\n0.146847 0.860651 0.293695 Ca\n0.096655 0.182932 0.193311 Ca\n0.793980 0.468287 0.587960 Ca\n0.382667 0.359637 0.765335 Ca\n0.500000 0.238900 0.000000 Ca\n0.737808 0.734030 0.475616 Ca\n0.970092 0.929889 0.940184 Ca\n0.082891 0.696005 0.165781 Ca\n0.206020 0.880327 0.412040 Ca\n0.182217 0.282894 0.364434 Ca\n0.029908 0.989706 0.059816 Ca\n0.680182 0.004662 0.360364 Ga\n0.139359 0.448363 0.278718 Ga\n0.772969 0.065024 0.545939 Ga\n0.956496 0.313303 0.912992 Ga\n0.319818 0.644299 0.639636 Ga\n0.860641 0.169644 0.721282 Ga\n0.043504 0.400312 0.087008 Ga\n0.590879 0.931292 0.181757 Ga\n0.409121 0.749535 0.818243 Ga\n0.227031 0.519085 0.454061 Ga\n0.500000 0.832067 0.000000 Ga\n",
"nsites": 39,
"nelements": 2,
"elements": [
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"Ga"
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"chemical_system": "Ca-Ga",
"density": 2.5855165288234203,
"density_atomic": 0.03214395963295507,
"volume": 1213.2917178011849,
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"formula_full": "Ca28 Ga11",
"formula_reduced": "Ca28Ga11",
"formula_anonymous": "A11B28",
"energy": -100.21285433,
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"spacegroup": 44
},
{
"id": "mp-22075",
"created_at": "2022-09-04T14:40:24.931105Z",
"structure_string": "In14 Pt6\n1.0\n-4.801490 4.801490 4.801490\n4.801490 -4.801490 4.801490\n4.801490 4.801490 -4.801490\nIn Pt\n14 6\ndirect\n0.750000 0.250000 0.500000 In\n0.750000 0.500000 0.250000 In\n0.500000 0.250000 0.750000 In\n0.250000 0.500000 0.750000 In\n0.250000 0.750000 0.500000 In\n0.500000 0.750000 0.250000 In\n0.000000 0.000000 0.326209 In\n0.000000 0.326209 0.000000 In\n0.326209 0.000000 0.000000 In\n0.673791 0.673791 0.673791 In\n0.000000 0.000000 0.673791 In\n0.000000 0.673791 0.000000 In\n0.673791 0.000000 0.000000 In\n0.326209 0.326209 0.326209 In\n0.655585 0.655585 0.000000 Pt\n0.344415 0.000000 0.344415 Pt\n0.000000 0.344415 0.344415 Pt\n0.344415 0.344415 0.000000 Pt\n0.655585 0.000000 0.655585 Pt\n0.000000 0.655585 0.655585 Pt\n",
"nsites": 20,
"nelements": 2,
"elements": [
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"chemical_system": "In-Pt",
"density": 10.418048687045193,
"density_atomic": 0.045169150022246994,
"volume": 442.78008309099187,
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"formula_full": "In14 Pt6",
"formula_reduced": "In7Pt3",
"formula_anonymous": "A3B7",
"energy": -83.56112396,
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"updated_at": "2021-11-28T01:34:55.964000Z",
"spacegroup": 229
},
{
"id": "mp-1079337",
"created_at": "2022-09-04T14:40:27.443291Z",
"structure_string": "Fe2 Ni6\n1.0\n4.055145 0.000000 0.000000\n0.000000 4.362534 0.000000\n0.000000 0.000000 5.004161\nFe Ni\n2 6\ndirect\n0.500000 0.666156 0.500000 Fe\n0.000000 0.333844 0.000000 Fe\n0.000000 0.330134 0.500000 Ni\n0.500000 0.669866 0.000000 Ni\n0.500000 0.166554 0.747949 Ni\n0.000000 0.833446 0.247949 Ni\n0.000000 0.833446 0.752051 Ni\n0.500000 0.166554 0.252051 Ni\n",
"nsites": 8,
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"elements": [
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"density": 8.700626914664571,
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"volume": 88.52715072287765,
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"formula_full": "Fe2 Ni6",
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"updated_at": "2021-11-28T01:34:55.836000Z",
"spacegroup": 59
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{
"id": "mp-1102744",
"created_at": "2022-09-04T14:40:28.195119Z",
"structure_string": "Zn4 O8\n1.0\n0.000000 0.000000 3.922740\n3.201396 0.000000 0.000000\n0.000000 9.993820 0.000000\nZn O\n4 8\ndirect\n0.177524 0.990732 0.622461 Zn\n0.677524 0.509268 0.377539 Zn\n0.822476 0.490732 0.877539 Zn\n0.322476 0.009268 0.122461 Zn\n0.512073 0.491837 0.581917 O\n0.012073 0.008164 0.418083 O\n0.487927 0.991837 0.918083 O\n0.987927 0.508163 0.081917 O\n0.170745 0.991725 0.834741 O\n0.670745 0.508275 0.165259 O\n0.829255 0.491725 0.665259 O\n0.329255 0.008275 0.334741 O\n",
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"elements": [
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"density": 5.155162725014884,
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"volume": 125.50483150158364,
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"formula_full": "Zn4 O8",
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"spacegroup": 19
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{
"id": "mp-1201508",
"created_at": "2022-09-04T14:40:30.952723Z",
"structure_string": "K16 Si16\n1.0\n-5.304629 5.304629 8.627529\n5.304629 -5.304629 8.627529\n5.304629 5.304629 -8.627529\nK Si\n16 16\ndirect\n0.768398 0.375000 0.893398 K\n0.268398 0.375000 0.393398 K\n0.625000 0.518398 0.393398 K\n0.125000 0.731602 0.106602 K\n0.981602 0.875000 0.606602 K\n0.481602 0.875000 0.106602 K\n0.625000 0.018398 0.893398 K\n0.125000 0.231602 0.606602 K\n0.870312 0.870312 0.240625 K\n0.370312 0.129688 0.000000 K\n0.120312 0.620312 0.740625 K\n0.620312 0.879688 0.500000 K\n0.879688 0.379688 0.259375 K\n0.379688 0.120312 0.500000 K\n0.629688 0.629688 0.759375 K\n0.129688 0.370312 0.000000 K\n0.510435 0.351817 0.961566 Si\n0.010435 0.048869 0.158618 Si\n0.601817 0.260435 0.461566 Si\n0.101817 0.640251 0.341382 Si\n0.239565 0.898183 0.538434 Si\n0.739565 0.201131 0.341382 Si\n0.148183 0.989565 0.038434 Si\n0.648183 0.609749 0.158618 Si\n0.890251 0.851817 0.841382 Si\n0.390251 0.548869 0.038434 Si\n0.298869 0.760435 0.658618 Si\n0.798869 0.140251 0.538434 Si\n0.859749 0.398183 0.658618 Si\n0.359749 0.701131 0.461566 Si\n0.451131 0.489565 0.841382 Si\n0.951131 0.109749 0.961566 Si\n",
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{
"id": "mp-1208630",
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"structure_string": "Sr2 C12\n1.0\n2.166824 -3.753050 0.000000\n2.166824 3.753050 0.000000\n0.000000 0.000000 9.970737\nSr C\n2 12\ndirect\n0.333333 0.666667 0.250000 Sr\n0.666667 0.333333 0.750000 Sr\n0.333691 0.000000 0.000000 C\n0.666309 0.000000 0.000000 C\n0.000000 0.333691 0.000000 C\n0.666309 0.000000 0.500000 C\n0.000000 0.666309 0.000000 C\n0.333691 0.000000 0.500000 C\n0.666309 0.666309 0.000000 C\n0.000000 0.666309 0.500000 C\n0.333691 0.333691 0.000000 C\n0.000000 0.333691 0.500000 C\n0.333691 0.333691 0.500000 C\n0.666309 0.666309 0.500000 C\n",
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"elements": [
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"volume": 162.16803119625865,
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"formula_full": "Sr2 C12",
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{
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{
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{
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}