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{
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{
"id": "mp-8299",
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"structure_string": "Sr4 As2 O1\n1.0\n-2.441749 2.441749 8.229768\n2.441749 -2.441749 8.229768\n2.441749 2.441749 -8.229768\nSr As O\n4 2 1\ndirect\n0.673824 0.673824 0.000000 Sr\n0.326176 0.326176 0.000000 Sr\n0.500000 0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 Sr\n0.863941 0.863941 0.000000 As\n0.136059 0.136059 0.000000 As\n0.500000 0.500000 0.000000 O\n",
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{
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{
"id": "mp-1078842",
"created_at": "2022-09-04T14:42:07.649414Z",
"structure_string": "Gd2 Hg6\n1.0\n3.367142 -5.832061 0.000000\n3.367142 5.832061 0.000000\n0.000000 0.000000 5.076662\nGd Hg\n2 6\ndirect\n0.333333 0.666667 0.250000 Gd\n0.666667 0.333333 0.750000 Gd\n0.835035 0.164965 0.250000 Hg\n0.835035 0.670070 0.250000 Hg\n0.329930 0.164965 0.250000 Hg\n0.164965 0.835035 0.750000 Hg\n0.164965 0.329930 0.750000 Hg\n0.670070 0.835035 0.750000 Hg\n",
"nsites": 8,
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"formula_full": "Gd2 Hg6",
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"formula_anonymous": "AB3",
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{
"id": "mp-865251",
"created_at": "2022-09-04T14:43:18.312429Z",
"structure_string": "Tm1 Th1 Tc2\n1.0\n0.000000 3.458142 3.458142\n3.458142 0.000000 3.458142\n3.458142 3.458142 0.000000\nTm Th Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Th\n0.750000 0.750000 0.750000 Tc\n0.250000 0.250000 0.250000 Tc\n",
"nsites": 4,
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"elements": [
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"density": 11.985186388253913,
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"formula_full": "Tm1 Th1 Tc2",
"formula_reduced": "TmThTc2",
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"spacegroup": 225
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{
"id": "mp-1219395",
"created_at": "2022-09-04T14:43:56.322708Z",
"structure_string": "Sc2 Se3\n1.0\n-1.917255 2.711144 5.952328\n1.917255 -2.711144 5.952328\n1.917255 2.711144 -5.952328\nSc Se\n2 3\ndirect\n0.661989 0.161989 0.500000 Sc\n0.338011 0.838011 0.500000 Sc\n0.500000 0.500000 0.000000 Se\n0.178658 0.178658 0.000000 Se\n0.821342 0.821342 0.000000 Se\n",
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"volume": 123.75971782661307,
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"formula_full": "Sc2 Se3",
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"formula_anonymous": "A2B3",
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"updated_at": "2021-11-28T01:36:22.950000Z",
"spacegroup": 71
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{
"id": "mp-866141",
"created_at": "2022-09-04T14:47:21.525494Z",
"structure_string": "Ti1 Fe2 Si1\n1.0\n0.000000 2.846042 2.846042\n2.846042 0.000000 2.846042\n2.846042 2.846042 0.000000\nTi Fe Si\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n0.500000 0.500000 0.500000 Si\n",
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"elements": [
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"density": 6.758127762095237,
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"volume": 46.105624630554225,
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"formula_full": "Ti1 Fe2 Si1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:38:07.630000Z",
"spacegroup": 225
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{
"id": "mp-1026387",
"created_at": "2022-09-04T14:44:49.956707Z",
"structure_string": "Mg14 Ti1 Ga1\n1.0\n6.292833 0.000000 -0.000000\n-3.146416 5.449752 0.000000\n-0.000000 0.000000 10.191577\nMg Ti Ga\n14 1 1\ndirect\n0.169123 0.834561 0.125000 Mg\n0.165910 0.832955 0.625000 Mg\n0.665439 0.330877 0.125000 Mg\n0.667045 0.334090 0.625000 Mg\n0.665439 0.834561 0.125000 Mg\n0.667045 0.832955 0.625000 Mg\n0.329636 0.170364 0.375008 Mg\n0.329636 0.170364 0.874992 Mg\n0.329636 0.659274 0.375008 Mg\n0.329636 0.659274 0.874992 Mg\n0.840726 0.170364 0.375008 Mg\n0.840726 0.170364 0.874992 Mg\n0.833333 0.666667 0.373457 Mg\n0.833333 0.666667 0.876543 Mg\n0.166667 0.333333 0.125000 Ti\n0.166667 0.333333 0.625000 Ga\n",
"nsites": 16,
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"elements": [
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"chemical_system": "Ga-Mg-Ti",
"density": 2.1752915128276604,
"density_atomic": 0.04577787686649567,
"volume": 349.5138065634107,
"volume_molar": 13.155133379301695,
"formula_full": "Mg14 Ti1 Ga1",
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{
"id": "mp-1183906",
"created_at": "2022-09-04T14:43:11.671587Z",
"structure_string": "Eu2 Cu1 Rh1\n1.0\n0.000000 3.572139 3.572139\n3.572139 0.000000 3.572139\n3.572139 3.572139 0.000000\nEu Cu Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
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"density": 8.568058797865966,
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"volume": 91.16225206954904,
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"formula_full": "Eu2 Cu1 Rh1",
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"updated_at": "2021-11-28T01:35:59.049000Z",
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{
"id": "mp-1028026",
"created_at": "2022-09-04T14:43:09.336550Z",
"structure_string": "Mg14 Zn1 Mo1\n1.0\n6.255859 0.003320 0.000000\n-3.125054 5.412753 0.000000\n0.000000 0.000000 9.960396\nMg Zn Mo\n14 1 1\ndirect\n0.168609 0.334304 0.625000 Mg\n0.167639 0.833819 0.625000 Mg\n0.667934 0.336051 0.125000 Mg\n0.665089 0.333528 0.625000 Mg\n0.667934 0.831882 0.125000 Mg\n0.665089 0.831559 0.625000 Mg\n0.326058 0.158731 0.360972 Mg\n0.326058 0.158731 0.889028 Mg\n0.326058 0.667329 0.360972 Mg\n0.326058 0.667329 0.889028 Mg\n0.837609 0.168805 0.370907 Mg\n0.837609 0.168805 0.879093 Mg\n0.844145 0.672073 0.367722 Mg\n0.844145 0.672073 0.882278 Mg\n0.166639 0.333319 0.125000 Zn\n0.163327 0.831663 0.125000 Mo\n",
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{
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"structure_string": "Cs2 Ag1 Au1 Cl6\n1.0\n0.000000 5.220506 5.220506\n5.220506 0.000000 5.220506\n5.220506 5.220506 0.000000\nCs Ag Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Au\n0.753343 0.246657 0.246657 Cl\n0.246657 0.246657 0.753343 Cl\n0.246657 0.753343 0.753343 Cl\n0.246657 0.753343 0.246657 Cl\n0.753343 0.246657 0.753343 Cl\n0.753343 0.753343 0.246657 Cl\n",
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{
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{
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"structure_string": "Ti2 Ga1 Re1\n1.0\n0.000000 3.141087 3.141087\n3.141087 0.000000 3.141087\n3.141087 3.141087 0.000000\nTi Ga Re\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ti\n0.250000 0.250000 0.250000 Ti\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Re\n",
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]
}