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"results": [
{
"id": "mp-1096218",
"created_at": "2022-09-04T14:44:45.898244Z",
"structure_string": "Y2 Tl1 Cu1\n1.0\n-5.830877 5.846635 10.105070\n5.830877 -5.846635 10.105070\n5.830877 5.846635 -10.105070\nY Tl Cu\n2 1 1\ndirect\n0.000000 0.240279 0.240279 Y\n0.000000 0.759721 0.759721 Y\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Cu\n",
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{
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"structure_string": "Mg12 Zn2 W2\n1.0\n4.866847 0.000000 0.000000\n0.000000 5.994305 0.000000\n0.000000 0.000000 10.621300\nMg Zn W\n12 2 2\ndirect\n0.000000 0.252522 0.418516 Mg\n0.000000 0.747478 0.418516 Mg\n0.500000 0.740423 0.087575 Mg\n0.500000 0.259577 0.087575 Mg\n0.500000 0.000000 0.329082 Mg\n0.500000 0.500000 0.323561 Mg\n0.000000 0.752522 0.918516 Mg\n0.000000 0.247478 0.918516 Mg\n0.500000 0.240423 0.587575 Mg\n0.500000 0.759577 0.587575 Mg\n0.500000 0.500000 0.829082 Mg\n0.500000 0.000000 0.823561 Mg\n0.000000 0.000000 0.165991 Zn\n0.000000 0.500000 0.665991 Zn\n0.000000 0.500000 0.169179 W\n0.000000 0.000000 0.669179 W\n",
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"formula_full": "Mg12 Zn2 W2",
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"spacegroup": 38
},
{
"id": "mp-865107",
"created_at": "2022-09-04T14:47:23.498919Z",
"structure_string": "Na1 Mg1 Pb2\n1.0\n0.000000 3.807390 3.807390\n3.807390 0.000000 3.807390\n3.807390 3.807390 0.000000\nNa Mg Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Pb\n0.750000 0.750000 0.750000 Pb\n",
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"formula_full": "Na1 Mg1 Pb2",
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"updated_at": "2021-11-28T01:38:03.986000Z",
"spacegroup": 225
},
{
"id": "mp-1094232",
"created_at": "2022-09-04T14:45:53.832671Z",
"structure_string": "Mg1 Sn1\n1.0\n0.000000 2.996797 2.996797\n2.996797 0.000000 2.996797\n2.996797 2.996797 0.000000\nMg Sn\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Sn\n",
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"volume": 53.82722260004151,
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"formula_full": "Mg1 Sn1",
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"formula_anonymous": "AB",
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"updated_at": "2021-11-28T01:37:14.301000Z",
"spacegroup": 225
},
{
"id": "mp-1112925",
"created_at": "2022-09-04T14:41:20.140158Z",
"structure_string": "Cs2 Ga1 Au1 I6\n1.0\n0.000000 5.882600 5.882600\n5.882600 0.000000 5.882600\n5.882600 5.882600 0.000000\nCs Ga Au I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Au\n0.752215 0.247785 0.247785 I\n0.247785 0.247785 0.752215 I\n0.247785 0.752215 0.752215 I\n0.247785 0.752215 0.247785 I\n0.752215 0.247785 0.752215 I\n0.752215 0.752215 0.247785 I\n",
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"formula_full": "Cs2 Ga1 Au1 I6",
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"updated_at": "2021-11-28T01:35:17.041000Z",
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},
{
"id": "mp-1226387",
"created_at": "2022-09-04T14:39:47.286724Z",
"structure_string": "Cs12 Sn2 Bi6 O1\n1.0\n6.822444 -11.816819 0.000000\n6.822444 11.816819 0.000000\n0.000000 0.000000 6.592175\nCs Sn Bi O\n12 2 6 1\ndirect\n0.902296 0.451148 0.249450 Cs\n0.548852 0.451148 0.249450 Cs\n0.548852 0.097704 0.249450 Cs\n0.097704 0.548852 0.750550 Cs\n0.451148 0.548852 0.750550 Cs\n0.451148 0.902296 0.750550 Cs\n0.222268 0.111134 0.276574 Cs\n0.888866 0.111134 0.276574 Cs\n0.888866 0.777732 0.276574 Cs\n0.777732 0.888866 0.723426 Cs\n0.111134 0.888866 0.723426 Cs\n0.111134 0.222268 0.723426 Cs\n0.666667 0.333333 0.750793 Sn\n0.333333 0.666667 0.249207 Sn\n0.576999 0.788500 0.249082 Bi\n0.211500 0.788500 0.249082 Bi\n0.211500 0.423001 0.249082 Bi\n0.423001 0.211500 0.750918 Bi\n0.788500 0.211500 0.750918 Bi\n0.788500 0.576999 0.750918 Bi\n0.000000 0.000000 0.500000 O\n",
"nsites": 21,
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"elements": [
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],
"chemical_system": "Bi-Cs-O-Sn",
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"density_atomic": 0.019756954886411243,
"volume": 1062.916837171285,
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"formula_full": "Cs12 Sn2 Bi6 O1",
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"formula_anonymous": "AB2C6D12",
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"updated_at": "2021-11-28T01:34:36.566000Z",
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},
{
"id": "mp-1185727",
"created_at": "2022-09-04T14:42:04.736782Z",
"structure_string": "Mg16 Sc1 Al12\n1.0\n5.260009 -7.510666 0.000000\n5.260009 7.510666 0.000000\n-5.464325 0.000000 7.363351\nMg Sc Al\n16 1 12\ndirect\n0.395117 0.720264 0.395117 Mg\n0.998009 0.998009 0.998009 Mg\n0.684760 0.282270 0.684760 Mg\n0.003940 0.343923 0.003940 Mg\n0.311777 0.999011 0.605024 Mg\n0.999011 0.605024 0.311777 Mg\n0.395117 0.395117 0.720264 Mg\n0.003940 0.003940 0.343923 Mg\n0.605024 0.311777 0.999011 Mg\n0.282270 0.684760 0.684760 Mg\n0.684760 0.684760 0.282270 Mg\n0.999011 0.311777 0.605024 Mg\n0.343923 0.003940 0.003940 Mg\n0.720264 0.395117 0.395117 Mg\n0.311777 0.605024 0.999011 Mg\n0.605024 0.999011 0.311777 Mg\n0.628715 0.628715 0.628715 Sc\n0.189805 0.825438 0.189805 Al\n0.373349 0.191016 0.373349 Al\n0.634599 0.995260 0.812540 Al\n0.812540 0.634599 0.995260 Al\n0.191016 0.373349 0.373349 Al\n0.634599 0.812540 0.995260 Al\n0.825438 0.189805 0.189805 Al\n0.189805 0.189805 0.825438 Al\n0.995260 0.812540 0.634599 Al\n0.373349 0.373349 0.191016 Al\n0.995260 0.634599 0.812540 Al\n0.812540 0.995260 0.634599 Al\n",
"nsites": 29,
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"elements": [
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"Sc",
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],
"chemical_system": "Al-Mg-Sc",
"density": 2.162354371599554,
"density_atomic": 0.04984568430281622,
"volume": 581.7956038846384,
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"formula_full": "Mg16 Sc1 Al12",
"formula_reduced": "Mg16ScAl12",
"formula_anonymous": "AB12C16",
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{
"id": "mp-889033",
"created_at": "2022-09-04T14:43:12.013891Z",
"structure_string": "Li2 Co4 P6 O24\n1.0\n8.391702 0.000000 0.000000\n-4.188557 7.290691 0.000000\n-0.022465 -4.843957 7.556150\nLi Co P O\n2 4 6 24\ndirect\n0.953218 0.875033 0.861696 Li\n0.046782 0.124967 0.138304 Li\n0.714469 0.575242 0.571353 Co\n0.758671 0.393209 0.943373 Co\n0.241329 0.606791 0.056627 Co\n0.285531 0.424758 0.428647 Co\n0.749238 0.711622 0.750710 P\n0.460751 0.998218 0.749906 P\n0.036651 0.286176 0.749366 P\n0.963349 0.713824 0.250634 P\n0.539249 0.001782 0.250094 P\n0.250762 0.288378 0.249290 P\n0.597925 0.453168 0.082855 O\n0.263539 0.057837 0.108209 O\n0.632146 0.119924 0.103479 O\n0.880883 0.702056 0.792064 O\n0.661870 0.535910 0.726934 O\n0.028995 0.039510 0.583377 O\n0.401788 0.145711 0.735887 O\n0.231406 0.737498 0.798200 O\n0.903600 0.365425 0.802464 O\n0.760524 0.559896 0.429047 O\n0.711276 0.602036 0.277133 O\n0.154469 0.769318 0.423513 O\n0.845531 0.230682 0.576487 O\n0.288724 0.397964 0.722867 O\n0.239476 0.440104 0.570953 O\n0.096400 0.634575 0.197536 O\n0.768594 0.262502 0.201800 O\n0.598212 0.854289 0.264113 O\n0.971005 0.960490 0.416623 O\n0.338130 0.464090 0.273066 O\n0.119117 0.297944 0.207936 O\n0.367854 0.880076 0.896521 O\n0.736461 0.942163 0.891791 O\n0.402075 0.546832 0.917145 O\n",
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"volume": 462.2951271913325,
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"formula_full": "Li2 Co4 P6 O24",
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{
"id": "mp-1187426",
"created_at": "2022-09-04T14:40:18.095604Z",
"structure_string": "Th1 Mg1 Hg2\n1.0\n0.000000 3.685898 3.685898\n3.685898 0.000000 3.685898\n3.685898 3.685898 0.000000\nTh Mg Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
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"volume": 100.15207094534072,
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"formula_full": "Th1 Mg1 Hg2",
"formula_reduced": "ThMgHg2",
"formula_anonymous": "ABC2",
"energy": -10.83465653,
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"updated_at": "2021-11-28T01:34:51.311000Z",
"spacegroup": 225
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{
"id": "mp-862982",
"created_at": "2022-09-04T14:46:09.769038Z",
"structure_string": "Ag4 Br6\n1.0\n6.727503 -3.512698 0.000000\n6.727503 3.512698 0.000000\n4.893382 0.000000 5.801134\nAg Br\n4 6\ndirect\n0.839669 0.839669 0.839669 Ag\n0.660331 0.660331 0.660331 Ag\n0.339669 0.339669 0.339669 Ag\n0.160331 0.160331 0.160331 Ag\n0.927816 0.250000 0.572184 Br\n0.250000 0.572184 0.927816 Br\n0.572184 0.927816 0.250000 Br\n0.427816 0.072184 0.750000 Br\n0.750000 0.427816 0.072184 Br\n0.072184 0.750000 0.427816 Br\n",
"nsites": 10,
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"elements": [
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"density": 5.516716510957557,
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"volume": 274.18115812849385,
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"formula_full": "Ag4 Br6",
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{
"id": "mp-29387",
"created_at": "2022-09-04T14:45:25.770266Z",
"structure_string": "K20 Sn4 Bi12\n1.0\n8.958119 0.000000 0.000000\n0.000000 10.259890 0.000000\n0.000000 10.227349 16.607578\nK Sn Bi\n20 4 12\ndirect\n0.316819 0.155911 0.921763 K\n0.816819 0.844089 0.578237 K\n0.683181 0.844089 0.078237 K\n0.183181 0.155911 0.421763 K\n0.018087 0.740581 0.423855 K\n0.518087 0.259419 0.076145 K\n0.981913 0.259419 0.576145 K\n0.481913 0.740581 0.923855 K\n0.003282 0.450392 0.743519 K\n0.503282 0.549608 0.756481 K\n0.996718 0.549608 0.256481 K\n0.496718 0.450392 0.243519 K\n0.839149 0.163916 0.260677 K\n0.339149 0.836084 0.239323 K\n0.160851 0.836084 0.739323 K\n0.660851 0.163916 0.760677 K\n0.001733 0.123544 0.086676 K\n0.501733 0.876456 0.413324 K\n0.998267 0.876456 0.913324 K\n0.498267 0.123544 0.586676 K\n0.146464 0.484820 0.088097 Sn\n0.646464 0.515180 0.411903 Sn\n0.853536 0.515180 0.911903 Sn\n0.353536 0.484820 0.588097 Sn\n0.191546 0.485736 0.933124 Bi\n0.691546 0.514264 0.566876 Bi\n0.808454 0.514264 0.066876 Bi\n0.308454 0.485736 0.433124 Bi\n0.264717 0.762740 0.081107 Bi\n0.764717 0.237260 0.418893 Bi\n0.735283 0.237260 0.918893 Bi\n0.235283 0.762740 0.581107 Bi\n0.239461 0.188184 0.230032 Bi\n0.739461 0.811816 0.269968 Bi\n0.760539 0.811816 0.769968 Bi\n0.260539 0.188184 0.730032 Bi\n",
"nsites": 36,
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"volume": 1526.3911268719207,
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{
"id": "mp-8683",
"created_at": "2022-09-04T14:44:29.867304Z",
"structure_string": "K10 As4 Au2\n1.0\n2.901735 -5.025953 0.000000\n2.901735 5.025953 0.000000\n0.000000 0.000000 19.517488\nK As Au\n10 4 2\ndirect\n0.333333 0.666667 0.549250 K\n0.666667 0.333333 0.049250 K\n0.666667 0.333333 0.450750 K\n0.333333 0.666667 0.950750 K\n0.000000 0.000000 0.145316 K\n0.000000 0.000000 0.645316 K\n0.000000 0.000000 0.854684 K\n0.000000 0.000000 0.354684 K\n0.333333 0.666667 0.750000 K\n0.666667 0.333333 0.250000 K\n0.333333 0.666667 0.120978 As\n0.666667 0.333333 0.620978 As\n0.333333 0.666667 0.379022 As\n0.666667 0.333333 0.879022 As\n0.666667 0.333333 0.750000 Au\n0.333333 0.666667 0.250000 Au\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"As",
"Au"
],
"chemical_system": "As-Au-K",
"density": 3.163658707277735,
"density_atomic": 0.028105408041610342,
"volume": 569.2854548246315,
"volume_molar": 21.42698213484095,
"formula_full": "K10 As4 Au2",
"formula_reduced": "K5As2Au",
"formula_anonymous": "AB2C5",
"energy": -43.3348669,
"energy_per_atom": -2.70842918125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.3348669,
"band_gap": 0.3393999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003648,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:40.211000Z",
"spacegroup": 194
}
]
}