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{
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{
"id": "mp-1224822",
"created_at": "2022-09-04T14:47:10.065233Z",
"structure_string": "Ga4 Se2 S2\n1.0\n-1.863577 -3.227904 0.000020\n-1.863577 3.227904 -0.000020\n0.000000 0.000104 -16.273494\nGa Se S\n4 2 2\ndirect\n0.666662 0.333338 0.677263 Ga\n0.333338 0.666662 0.322737 Ga\n0.333329 0.666671 0.170774 Ga\n0.666671 0.333329 0.829226 Ga\n0.333335 0.666665 0.603020 Se\n0.666665 0.333335 0.396980 Se\n0.666657 0.333343 0.107358 S\n0.333343 0.666657 0.892642 S\n",
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{
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"structure_string": "Pr2 Cu2 Si2\n1.0\n2.120022 -3.671986 0.000000\n2.120022 3.671986 0.000000\n0.000000 0.000000 8.041892\nPr Cu Si\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n0.666667 0.333333 0.250000 Si\n0.333333 0.666667 0.750000 Si\n",
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"spacegroup": 194
},
{
"id": "mp-20900",
"created_at": "2022-09-04T14:46:27.784375Z",
"structure_string": "Cu6 Sb2\n1.0\n4.343706 0.000000 0.000000\n0.000000 4.982550 0.000000\n0.000000 0.000000 5.499450\nCu Sb\n6 2\ndirect\n0.500000 0.703318 0.000000 Cu\n0.000000 0.296682 0.500000 Cu\n0.000000 0.851203 0.248254 Cu\n0.500000 0.148797 0.251746 Cu\n0.000000 0.851203 0.751746 Cu\n0.500000 0.148797 0.748254 Cu\n0.000000 0.339992 0.000000 Sb\n0.500000 0.660008 0.500000 Sb\n",
"nsites": 8,
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"elements": [
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"density": 8.716778127244357,
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"volume": 119.02312431386834,
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"formula_full": "Cu6 Sb2",
"formula_reduced": "Cu3Sb",
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"updated_at": "2021-11-28T01:37:42.130000Z",
"spacegroup": 59
},
{
"id": "mp-1023152",
"created_at": "2022-09-04T14:46:10.200769Z",
"structure_string": "Ca2 Mg12 Bi2\n1.0\n5.274148 0.000000 0.000000\n0.000000 6.802470 0.000000\n0.000000 0.000000 11.481727\nCa Mg Bi\n2 12 2\ndirect\n0.000000 0.500000 0.330924 Ca\n0.000000 0.000000 0.830924 Ca\n0.000000 0.242239 0.079146 Mg\n0.000000 0.757761 0.079146 Mg\n0.000000 0.500000 0.836966 Mg\n0.500000 0.262010 0.920272 Mg\n0.500000 0.737990 0.920272 Mg\n0.500000 0.500000 0.667669 Mg\n0.000000 0.742239 0.579146 Mg\n0.000000 0.257761 0.579146 Mg\n0.000000 0.000000 0.336966 Mg\n0.500000 0.762010 0.420272 Mg\n0.500000 0.237990 0.420272 Mg\n0.500000 0.000000 0.167669 Mg\n0.500000 0.500000 0.165604 Bi\n0.500000 0.000000 0.665604 Bi\n",
"nsites": 16,
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"elements": [
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"density": 3.183664577260713,
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"volume": 411.93260108536197,
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"formula_full": "Ca2 Mg12 Bi2",
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"spacegroup": 38
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{
"id": "mp-1078978",
"created_at": "2022-09-04T14:41:16.183864Z",
"structure_string": "Yb4 Cd2 Ge4\n1.0\n7.341604 0.000000 0.000000\n0.000000 7.341604 0.000000\n0.000000 0.000000 4.382779\nYb Cd Ge\n4 2 4\ndirect\n0.673511 0.173511 0.500000 Yb\n0.326489 0.826489 0.500000 Yb\n0.173511 0.326489 0.500000 Yb\n0.826489 0.673511 0.500000 Yb\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 Cd\n0.123821 0.623821 0.000000 Ge\n0.876179 0.376179 0.000000 Ge\n0.623821 0.876179 0.000000 Ge\n0.376179 0.123821 0.000000 Ge\n",
"nsites": 10,
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"density": 8.488283181216914,
"density_atomic": 0.042331973666915115,
"volume": 236.22805963841884,
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"formula_full": "Yb4 Cd2 Ge4",
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"updated_at": "2021-11-28T01:35:17.921000Z",
"spacegroup": 127
},
{
"id": "mp-1234733",
"created_at": "2022-09-04T14:40:57.146066Z",
"structure_string": "Mg1 Co2 N2\n1.0\n3.920791 0.440993 -0.118918\n0.474172 3.713265 -0.330274\n-0.118782 -0.334032 3.501731\nMg Co N\n1 2 2\ndirect\n0.948475 0.053580 0.734378 Mg\n0.565640 0.715024 0.017913 Co\n0.344773 0.376496 0.439055 Co\n0.471710 0.877130 0.535385 N\n0.101127 0.561195 0.976668 N\n",
"nsites": 5,
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"elements": [
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"Co",
"N"
],
"chemical_system": "Co-Mg-N",
"density": 5.674625509940378,
"density_atomic": 0.1004008454367671,
"volume": 49.80037745946096,
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"formula_full": "Mg1 Co2 N2",
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"updated_at": "2021-11-28T01:35:00.302000Z",
"spacegroup": 1
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{
"id": "mp-1185915",
"created_at": "2022-09-04T14:46:31.051826Z",
"structure_string": "Mg1 Pa1 Tc2\n1.0\n0.000000 3.284742 3.284742\n3.284742 0.000000 3.284742\n3.284742 3.284742 0.000000\nMg Pa Tc\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Mg\n0.750001 0.750001 0.750001 Pa\n0.500000 0.500000 0.500000 Tc\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 4,
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"elements": [
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"density": 10.573529526340469,
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"spacegroup": 225
},
{
"id": "mp-1028017",
"created_at": "2022-09-04T14:48:29.410736Z",
"structure_string": "Mg14 Zn1 Cr1\n1.0\n6.266152 -0.000921 0.000000\n-3.133874 5.428028 0.000000\n0.000000 0.000000 10.167226\nMg Zn Cr\n14 1 1\ndirect\n0.167482 0.333740 0.625000 Mg\n0.167532 0.833765 0.625000 Mg\n0.669091 0.336640 0.125000 Mg\n0.665296 0.332582 0.625000 Mg\n0.669091 0.832450 0.125000 Mg\n0.665296 0.832713 0.625000 Mg\n0.328443 0.164036 0.366076 Mg\n0.328443 0.164036 0.883924 Mg\n0.328443 0.664408 0.366076 Mg\n0.328443 0.664408 0.883924 Mg\n0.836140 0.168071 0.372402 Mg\n0.836140 0.168071 0.877598 Mg\n0.837058 0.668529 0.372924 Mg\n0.837058 0.668529 0.877076 Mg\n0.169264 0.334632 0.125000 Zn\n0.166783 0.833391 0.125000 Cr\n",
"nsites": 16,
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],
"chemical_system": "Cr-Mg-Zn",
"density": 2.1978485160055006,
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"volume": 345.7869720435999,
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"formula_full": "Mg14 Zn1 Cr1",
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{
"id": "mp-1245916",
"created_at": "2022-09-04T14:47:20.881401Z",
"structure_string": "Li2 Cr1 N2\n1.0\n2.928868 -0.000003 0.000003\n-1.464437 2.536479 0.000000\n-0.000010 -0.000006 5.615103\nLi Cr N\n2 1 2\ndirect\n0.666666 0.333333 0.354682 Li\n0.333334 0.666667 0.645318 Li\n0.000000 0.000000 0.000000 Cr\n0.666666 0.333333 0.796242 N\n0.333334 0.666667 0.203758 N\n",
"nsites": 5,
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{
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"structure_string": "Ti1 Mn2 Ge1\n1.0\n0.000000 2.935991 2.935991\n2.935991 0.000000 2.935991\n2.935991 2.935991 0.000000\nTi Mn Ge\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750000 0.750000 0.750000 Mn\n0.250000 0.250000 0.250000 Mn\n0.500000 0.500000 0.500000 Ge\n",
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{
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"structure_string": "Cs2 Sc1 Tl1 I6\n1.0\n0.000000 6.285605 6.285605\n6.285605 0.000000 6.285605\n6.285605 6.285605 0.000000\nCs Sc Tl 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 Sc\n0.500000 0.500000 0.500000 Tl\n0.769387 0.230613 0.230613 I\n0.230613 0.230613 0.769387 I\n0.230613 0.769387 0.769387 I\n0.230613 0.769387 0.230613 I\n0.769387 0.230613 0.769387 I\n0.769387 0.769387 0.230613 I\n",
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{
"id": "mp-1227116",
"created_at": "2022-09-04T14:47:16.361897Z",
"structure_string": "Ca1 Fe1 Si2 Rh1\n1.0\n-2.037079 2.037079 4.895610\n2.037079 -2.037079 4.895610\n2.037079 2.037079 -4.895610\nCa Fe Si Rh\n1 1 2 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.250000 0.500000 Fe\n0.631911 0.631911 0.000000 Si\n0.368089 0.368089 0.000000 Si\n0.250000 0.750000 0.500000 Rh\n",
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]
}