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{
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"results": [
{
"id": "mp-1094480",
"created_at": "2022-09-04T14:41:21.159034Z",
"structure_string": "Mg4 Zn2\n1.0\n1.526994 -2.644832 0.000000\n1.526994 2.644832 0.000000\n0.000000 0.000000 15.002159\nMg Zn\n4 2\ndirect\n0.666667 0.333333 0.775783 Mg\n0.333333 0.666667 0.591380 Mg\n0.666667 0.333333 0.408620 Mg\n0.333333 0.666667 0.224217 Mg\n0.333333 0.666667 0.931236 Zn\n0.666667 0.333333 0.068764 Zn\n",
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{
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{
"id": "mp-1119338",
"created_at": "2022-09-04T14:42:06.343234Z",
"structure_string": "Na6 O3\n1.0\n3.094119 -5.359171 0.000000\n3.094119 5.359171 0.000000\n0.000000 0.000000 3.653490\nNa O\n6 3\ndirect\n0.412336 0.000000 0.000000 Na\n0.261148 0.261148 0.500000 Na\n0.000000 0.738852 0.500000 Na\n0.000000 0.412336 0.000000 Na\n0.738852 0.000000 0.500000 Na\n0.587664 0.587664 0.000000 Na\n0.333333 0.666667 0.500000 O\n0.000000 0.000000 0.000000 O\n0.666667 0.333333 0.500000 O\n",
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"elements": [
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"volume": 121.16370530349884,
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"formula_full": "Na6 O3",
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"updated_at": "2021-11-28T01:35:35.140000Z",
"spacegroup": 189
},
{
"id": "mp-1223984",
"created_at": "2022-09-04T14:41:50.710327Z",
"structure_string": "Hg1 Pb3\n1.0\n4.055890 0.000000 0.000000\n0.000000 4.055890 0.000000\n0.000000 0.000000 7.365453\nHg Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.239851 Pb\n0.500000 0.500000 0.760149 Pb\n0.000000 0.000000 0.500000 Pb\n",
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"density": 11.268068781097874,
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"formula_full": "Hg1 Pb3",
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"spacegroup": 123
},
{
"id": "mp-753164",
"created_at": "2022-09-04T14:42:52.347968Z",
"structure_string": "Yb2 Ti2 O6\n1.0\n5.212118 -2.649381 0.000000\n5.212118 2.649381 0.000000\n3.865406 0.000000 4.386802\nYb Ti O\n2 2 6\ndirect\n0.361143 0.361143 0.361143 Yb\n0.638857 0.638857 0.638857 Yb\n0.148246 0.148246 0.148246 Ti\n0.851754 0.851754 0.851754 Ti\n0.434648 0.810313 0.026183 O\n0.810313 0.026183 0.434648 O\n0.026183 0.434648 0.810313 O\n0.973817 0.565352 0.189687 O\n0.189687 0.973817 0.565352 O\n0.565352 0.189687 0.973817 O\n",
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"density_atomic": 0.08253978146736995,
"volume": 121.15370094544352,
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"formula_full": "Yb2 Ti2 O6",
"formula_reduced": "YbTiO3",
"formula_anonymous": "ABC3",
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"updated_at": "2021-11-28T01:35:55.919000Z",
"spacegroup": 148
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{
"id": "mp-13955",
"created_at": "2022-09-04T14:40:38.324064Z",
"structure_string": "Sm2 Si4\n1.0\n-2.050500 2.050500 7.203406\n2.050500 -2.050500 7.203406\n2.050500 2.050500 -7.203406\nSm Si\n2 4\ndirect\n0.750000 0.250000 0.500000 Sm\n0.000000 0.000000 0.000000 Sm\n0.166773 0.666773 0.500000 Si\n0.583227 0.583227 0.000000 Si\n0.333227 0.833227 0.500000 Si\n0.416773 0.416773 0.000000 Si\n",
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"density": 5.66170072645485,
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"volume": 121.148329992606,
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"formula_full": "Sm2 Si4",
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"updated_at": "2021-11-28T01:35:04.198000Z",
"spacegroup": 141
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{
"id": "mp-1184199",
"created_at": "2022-09-04T14:47:20.395076Z",
"structure_string": "Eu2 Ag1 Pb1\n1.0\n0.000000 3.927276 3.927276\n3.927276 0.000000 3.927276\n3.927276 3.927276 0.000000\nEu Ag Pb\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Eu\n0.250000 0.250000 0.250000 Eu\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Pb\n",
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"volume": 121.14465748172496,
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"formula_full": "Eu2 Ag1 Pb1",
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"updated_at": "2021-11-28T01:38:01.013000Z",
"spacegroup": 225
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{
"id": "mp-1407616",
"created_at": "2022-09-04T14:45:20.772343Z",
"structure_string": "Li2 Fe2 F6\n1.0\n3.634195 -5.151347 0.000000\n3.634195 5.151347 0.000000\n0.000000 0.000000 3.235396\nLi Fe F\n2 2 6\ndirect\n0.995017 0.995017 0.500000 Li\n0.498865 0.498865 0.500000 Li\n0.497459 0.000703 0.000000 Fe\n0.000703 0.497459 0.000000 Fe\n0.441879 0.186631 0.500000 F\n0.186631 0.441879 0.500000 F\n0.137755 0.862255 0.000000 F\n0.862255 0.137755 0.000000 F\n0.558920 0.818682 0.500000 F\n0.818682 0.558920 0.500000 F\n",
"nsites": 10,
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"density": 3.283834912213861,
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"volume": 121.13969386561502,
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"formula_full": "Li2 Fe2 F6",
"formula_reduced": "LiFeF3",
"formula_anonymous": "ABC3",
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"spacegroup": 65
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{
"id": "mp-777672",
"created_at": "2022-09-04T14:42:53.389869Z",
"structure_string": "Li2 Fe2 F6\n1.0\n-3.235396 0.000000 0.000000\n-0.020415 -6.303720 0.000000\n-0.021831 -2.114396 5.939617\nLi Fe F\n2 2 6\ndirect\n0.498882 0.000120 0.995017 Li\n0.499685 0.498996 0.501589 Li\n0.997580 0.497678 0.000703 Fe\n0.997531 0.000146 0.500705 Fe\n0.498451 0.553258 0.186631 F\n0.496366 0.813658 0.447366 F\n0.988444 0.857382 0.862255 F\n0.988690 0.137288 0.142164 F\n0.495999 0.436217 0.818682 F\n0.497960 0.181402 0.564356 F\n",
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"volume": 121.13866971366161,
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"formula_full": "Li2 Fe2 F6",
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{
"id": "mp-20918",
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"structure_string": "Er2 Ti2 Si2\n1.0\n4.014340 0.000000 0.000000\n0.000000 4.014340 0.000000\n0.000000 0.000000 7.516878\nEr Ti Si\n2 2 2\ndirect\n0.000000 0.500000 0.343709 Er\n0.500000 0.000000 0.656291 Er\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.500000 0.758850 Si\n0.500000 0.000000 0.241150 Si\n",
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"formula_full": "Er2 Ti2 Si2",
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{
"id": "mp-1186493",
"created_at": "2022-09-04T14:46:00.178045Z",
"structure_string": "Pm3 Cd1\n1.0\n-2.431590 2.431590 5.121621\n2.431590 -2.431590 5.121621\n2.431590 2.431590 -5.121621\nPm Cd\n3 1\ndirect\n0.749998 0.250000 0.499999 Pm\n0.250000 0.749998 0.499999 Pm\n0.500001 0.500001 0.000000 Pm\n0.000000 0.000000 0.000000 Cd\n",
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"density": 7.50437436818533,
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"formula_full": "Pm3 Cd1",
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{
"id": "mp-1094648",
"created_at": "2022-09-04T14:39:35.315303Z",
"structure_string": "Mg3 Ga3\n1.0\n1.591371 -7.619114 0.000000\n1.591371 7.619114 0.000000\n0.000000 0.000000 4.995052\nMg Ga\n3 3\ndirect\n0.997450 0.002550 0.000000 Mg\n0.672676 0.327324 0.000000 Mg\n0.440557 0.559443 0.500000 Mg\n0.331951 0.668049 0.000000 Ga\n0.111351 0.888649 0.500000 Ga\n0.779348 0.220652 0.500000 Ga\n",
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"density": 3.8670664086773097,
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"volume": 121.12838326534187,
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"formula_full": "Mg3 Ga3",
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"updated_at": "2021-11-28T01:34:29.385000Z",
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]
}