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{
"id": "mp-1096803",
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"structure_string": "Mg1 O2\n1.0\n1.546620 3.058608 0.000000\n-1.546620 3.058608 0.000000\n0.000000 0.338544 3.920821\nMg O\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.313116 0.313116 0.795054 O\n0.686884 0.686884 0.204946 O\n",
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{
"id": "mp-1224788",
"created_at": "2022-09-04T14:47:30.526772Z",
"structure_string": "Ga1 Cu1 Se2\n1.0\n3.774416 0.000000 0.000000\n0.000000 3.774416 0.000000\n0.000000 0.000000 5.265891\nGa Cu Se\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Se\n0.500000 0.500000 0.000000 Se\n",
"nsites": 4,
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"elements": [
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"density": 6.445441455918576,
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"volume": 75.01902136124151,
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"formula_full": "Ga1 Cu1 Se2",
"formula_reduced": "GaCuSe2",
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"spacegroup": 123
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{
"id": "mp-1187799",
"created_at": "2022-09-04T14:47:23.990493Z",
"structure_string": "Yb1 Zn1 Pd2\n1.0\n0.000000 3.254813 3.254813\n3.254813 0.000000 3.254813\n3.254813 3.254813 0.000000\nYb Zn Pd\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Yb\n0.749999 0.749999 0.749999 Zn\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n",
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"density": 10.866651116569582,
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"volume": 68.96172581488149,
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"formula_full": "Yb1 Zn1 Pd2",
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{
"id": "mp-7771",
"created_at": "2022-09-04T14:43:21.229624Z",
"structure_string": "Sr1 Cd2 As2\n1.0\n2.262946 -3.919538 0.000000\n2.262946 3.919538 0.000000\n0.000000 0.000000 7.496635\nSr Cd As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.333333 0.666667 0.632489 Cd\n0.666667 0.333333 0.367511 Cd\n0.666667 0.333333 0.750418 As\n0.333333 0.666667 0.249582 As\n",
"nsites": 5,
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"density": 5.772363281423372,
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"volume": 132.98584948411388,
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"updated_at": "2021-11-28T01:36:04.826000Z",
"spacegroup": 164
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{
"id": "mp-451",
"created_at": "2022-09-04T14:40:35.114750Z",
"structure_string": "Zr1 B1\n1.0\n0.000000 2.456321 2.456321\n2.456321 0.000000 2.456321\n2.456321 2.456321 0.000000\nZr B\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 B\n",
"nsites": 2,
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"density": 5.716272279062423,
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"volume": 29.640488659214327,
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"formula_full": "Zr1 B1",
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"updated_at": "2021-11-28T01:34:57.310000Z",
"spacegroup": 225
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{
"id": "mp-1011697",
"created_at": "2022-09-04T14:42:56.742558Z",
"structure_string": "Cs4 Se2\n1.0\n7.882446 0.000000 0.000000\n0.000000 7.882446 0.000000\n0.000000 0.000000 7.882446\nCs Se\n4 2\ndirect\n0.750000 0.750000 0.250000 Cs\n0.750000 0.250000 0.750000 Cs\n0.250000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Se\n0.000000 0.000000 0.000000 Se\n",
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"density": 2.3379040742732005,
"density_atomic": 0.012250906850031155,
"volume": 489.7596621579684,
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"formula_full": "Cs4 Se2",
"formula_reduced": "Cs2Se",
"formula_anonymous": "AB2",
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"updated_at": "2021-11-28T01:35:59.882000Z",
"spacegroup": 224
},
{
"id": "mp-978095",
"created_at": "2022-09-04T14:43:10.305390Z",
"structure_string": "Pr2 Cd1 Pb1\n1.0\n0.000000 3.916327 3.916327\n3.916327 0.000000 3.916327\n3.916327 3.916327 0.000000\nPr Cd Pb\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Pr\n0.250000 0.250000 0.250000 Pr\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
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"density": 8.313132012149122,
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"volume": 120.1342484843457,
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"formula_full": "Pr2 Cd1 Pb1",
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{
"id": "mp-1206750",
"created_at": "2022-09-04T14:46:52.360323Z",
"structure_string": "Cr1 Pt1\n1.0\n2.669490 0.000000 0.000000\n0.000000 2.669490 0.000000\n0.000000 0.000000 3.856506\nCr Pt\n1 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Pt\n",
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"density": 14.929190435287646,
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"formula_full": "Cr1 Pt1",
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{
"id": "mp-1219959",
"created_at": "2022-09-04T14:47:06.891418Z",
"structure_string": "Pr1 Cu1 Si1\n1.0\n2.077002 -3.597473 0.000000\n2.077002 3.597473 0.000000\n0.000000 0.000000 4.165256\nPr Cu Si\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Pr\n0.000000 0.000000 0.500000 Cu\n0.333333 0.666667 0.500000 Si\n",
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{
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"structure_string": "Ca3 Bi1 As1\n1.0\n5.840000 0.000000 0.000000\n0.000000 5.840000 0.000000\n0.000000 0.000000 5.840000\nCa Bi As\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.000000 As\n",
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{
"id": "mp-1185391",
"created_at": "2022-09-04T14:41:24.759339Z",
"structure_string": "Li1 Pr2 Al1\n1.0\n0.000000 3.786321 3.786321\n3.786321 0.000000 3.786321\n3.786321 3.786321 0.000000\nLi Pr Al\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Pr\n0.750000 0.750000 0.750000 Pr\n0.500000 0.500000 0.500000 Al\n",
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]
}