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{
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{
"id": "mp-37214",
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"structure_string": "Mn1 Pb1 O3\n1.0\n3.914633 0.000000 0.000000\n0.000000 3.914633 0.000000\n0.000000 0.000000 3.914633\nMn Pb O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Pb\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
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{
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},
{
"id": "mp-1028178",
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"structure_string": "Ca1 Mg14 V1\n1.0\n6.483190 0.020353 0.000000\n-3.223969 5.584077 0.000000\n0.000000 0.000000 10.366093\nCa Mg V\n1 14 1\ndirect\n0.165147 0.332573 0.125000 Ca\n0.167969 0.333984 0.625000 Mg\n0.165519 0.832759 0.625000 Mg\n0.660673 0.325389 0.125000 Mg\n0.665808 0.334678 0.625000 Mg\n0.660673 0.835283 0.125000 Mg\n0.665808 0.831129 0.625000 Mg\n0.334319 0.158655 0.377211 Mg\n0.334319 0.158655 0.872789 Mg\n0.334319 0.675665 0.377211 Mg\n0.334319 0.675665 0.872789 Mg\n0.829589 0.164795 0.383783 Mg\n0.829589 0.164795 0.866217 Mg\n0.840797 0.670399 0.365811 Mg\n0.840797 0.670399 0.884189 Mg\n0.170356 0.835178 0.125000 V\n",
"nsites": 16,
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"elements": [
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"formula_full": "Ca1 Mg14 V1",
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{
"id": "mp-10133",
"created_at": "2022-09-04T14:48:22.112856Z",
"structure_string": "Sc3 B1 Pb1\n1.0\n4.689041 0.000000 0.000000\n0.000000 4.689041 0.000000\n0.000000 0.000000 4.689041\nSc B Pb\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Sc\n0.000000 0.500000 0.500000 Sc\n0.500000 0.500000 0.000000 Sc\n0.500000 0.500000 0.500000 B\n0.000000 0.000000 0.000000 Pb\n",
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{
"id": "mp-8123",
"created_at": "2022-09-04T14:46:55.106394Z",
"structure_string": "Tm2 Cu2 Si2\n1.0\n2.064669 -3.576111 0.000000\n2.064669 3.576111 0.000000\n0.000000 0.000000 7.275938\nTm Cu Si\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Tm\n0.000000 0.000000 0.000000 Tm\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",
"nsites": 6,
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"density": 8.054080070403,
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"formula_full": "Tm2 Cu2 Si2",
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"updated_at": "2021-11-28T01:37:51.522000Z",
"spacegroup": 194
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{
"id": "mp-1217177",
"created_at": "2022-09-04T14:43:11.920943Z",
"structure_string": "Ti3 Fe1\n1.0\n-1.499694 -2.596596 0.000000\n-1.499694 2.596596 0.000000\n0.000000 0.000000 -8.041557\nTi Fe\n3 1\ndirect\n0.666816 0.333184 0.875000 Ti\n0.333246 0.666754 0.159885 Ti\n0.333246 0.666754 0.590115 Ti\n0.666692 0.333308 0.375000 Fe\n",
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"formula_full": "Ti3 Fe1",
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{
"id": "mp-1996",
"created_at": "2022-09-04T14:40:33.267788Z",
"structure_string": "Nd1 Ir3\n1.0\n4.133790 0.000000 0.000000\n0.000000 4.133790 0.000000\n0.000000 0.000000 4.133790\nNd Ir\n1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n",
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"volume": 70.63911197863895,
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"formula_full": "Nd1 Ir3",
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{
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"structure_string": "Er1 Ni2 P2\n1.0\n-1.926852 1.926852 4.672807\n1.926852 -1.926852 4.672807\n1.926852 1.926852 -4.672807\nEr Ni P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n0.622047 0.622047 0.000000 P\n0.377953 0.377953 0.000000 P\n",
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{
"id": "mp-1026689",
"created_at": "2022-09-04T14:46:36.722426Z",
"structure_string": "Mg14 Si1 Sb1\n1.0\n6.330322 -0.000000 -0.000000\n-3.165161 5.482219 0.000000\n0.000000 0.000000 10.219438\nMg Si Sb\n14 1 1\ndirect\n0.165259 0.832629 0.125000 Mg\n0.165808 0.832904 0.625000 Mg\n0.667371 0.334741 0.125000 Mg\n0.667096 0.334192 0.625000 Mg\n0.667371 0.832629 0.125000 Mg\n0.667096 0.832904 0.625000 Mg\n0.334198 0.165802 0.369377 Mg\n0.334198 0.165802 0.880623 Mg\n0.334198 0.668397 0.369377 Mg\n0.334198 0.668397 0.880623 Mg\n0.831603 0.165802 0.369377 Mg\n0.831603 0.165802 0.880623 Mg\n0.833333 0.666667 0.375725 Mg\n0.833333 0.666667 0.874275 Mg\n0.166667 0.333333 0.125000 Si\n0.166667 0.333333 0.625000 Sb\n",
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{
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{
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"structure_string": "Cs2 Sb1 Au1 Cl6\n1.0\n0.000000 5.410874 5.410874\n5.410874 0.000000 5.410874\n5.410874 5.410874 0.000000\nCs Sb Au Cl\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 Sb\n0.500000 0.500000 0.500000 Au\n0.752742 0.247258 0.247258 Cl\n0.247258 0.247258 0.752742 Cl\n0.247258 0.752742 0.752742 Cl\n0.247258 0.752742 0.247258 Cl\n0.752742 0.247258 0.752742 Cl\n0.752742 0.752742 0.247258 Cl\n",
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"formula_full": "Cs2 Sb1 Au1 Cl6",
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{
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"structure_string": "Tb1 Y1 Ir2\n1.0\n0.000000 3.441710 3.441710\n3.441710 0.000000 3.441710\n3.441710 3.441710 0.000000\nTb Y Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
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]
}