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{
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"results": [
{
"id": "mp-731",
"created_at": "2022-09-04T14:40:06.565415Z",
"structure_string": "Mg6 Hg2\n1.0\n2.448562 -4.241034 0.000000\n2.448562 4.241034 0.000000\n0.000000 0.000000 8.638868\nMg Hg\n6 2\ndirect\n0.333333 0.666667 0.921219 Mg\n0.666667 0.333333 0.421219 Mg\n0.000000 0.000000 0.250000 Mg\n0.000000 0.000000 0.750000 Mg\n0.333333 0.666667 0.578781 Mg\n0.666667 0.333333 0.078781 Mg\n0.666667 0.333333 0.750000 Hg\n0.333333 0.666667 0.250000 Hg\n",
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"spacegroup": 194
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{
"id": "mp-982663",
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"structure_string": "K3 Ho1\n1.0\n0.000000 4.856781 4.856781\n4.856781 0.000000 4.856781\n4.856781 4.856781 0.000000\nK Ho\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ho\n",
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"updated_at": "2021-11-28T01:35:28.958000Z",
"spacegroup": 225
},
{
"id": "mp-1026616",
"created_at": "2022-09-04T14:48:20.088265Z",
"structure_string": "Cs1 Sr1 Mg14\n1.0\n6.734255 0.041701 0.000000\n-3.331014 5.769485 0.000000\n0.000000 0.000000 11.017733\nCs Sr Mg\n1 1 14\ndirect\n0.167384 0.333692 0.125000 Cs\n0.175906 0.837952 0.125000 Sr\n0.162209 0.331104 0.625000 Mg\n0.160560 0.830280 0.625000 Mg\n0.668232 0.335887 0.125000 Mg\n0.669955 0.335217 0.625000 Mg\n0.668232 0.832344 0.125000 Mg\n0.669955 0.834737 0.625000 Mg\n0.344034 0.166928 0.400608 Mg\n0.344034 0.166928 0.849392 Mg\n0.344034 0.677107 0.400608 Mg\n0.344034 0.677107 0.849392 Mg\n0.816006 0.158004 0.389604 Mg\n0.816006 0.158004 0.860396 Mg\n0.824708 0.662355 0.380684 Mg\n0.824708 0.662355 0.869316 Mg\n",
"nsites": 16,
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"elements": [
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],
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"density": 2.1676283595926593,
"density_atomic": 0.03724356339087776,
"volume": 429.60443478721896,
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"formula_full": "Cs1 Sr1 Mg14",
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"formula_anonymous": "ABC14",
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"total_magnetization": 4.8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:35.705000Z",
"spacegroup": 38
},
{
"id": "mp-1210982",
"created_at": "2022-09-04T14:48:24.731057Z",
"structure_string": "Li4 Zn8\n1.0\n-4.746381 -4.746381 0.000000\n-4.746381 0.000000 -4.746381\n0.000000 -4.746381 -4.746381\nLi Zn\n4 8\ndirect\n0.875000 0.875000 0.875000 Li\n0.375000 0.875000 0.875000 Li\n0.875000 0.375000 0.875000 Li\n0.875000 0.875000 0.375000 Li\n0.598086 0.598086 0.598086 Zn\n0.205741 0.598086 0.598086 Zn\n0.598086 0.205741 0.598086 Zn\n0.544259 0.151914 0.151914 Zn\n0.151914 0.151914 0.151914 Zn\n0.598086 0.598086 0.205741 Zn\n0.151914 0.544259 0.151914 Zn\n0.151914 0.151914 0.544259 Zn\n",
"nsites": 12,
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"elements": [
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],
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"density": 4.278694552706473,
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"volume": 213.8542010492913,
"volume_molar": 10.7321675069681,
"formula_full": "Li4 Zn8",
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"energy": -16.65407517,
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"updated_at": "2021-11-28T01:39:17.319000Z",
"spacegroup": 227
},
{
"id": "mp-1184895",
"created_at": "2022-09-04T14:46:58.868415Z",
"structure_string": "K3 Er1\n1.0\n0.000000 4.859522 4.859522\n4.859522 0.000000 4.859522\n4.859522 4.859522 0.000000\nK Er\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Er\n",
"nsites": 4,
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"density": 2.0587470329462882,
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"updated_at": "2021-11-28T01:37:43.998000Z",
"spacegroup": 225
},
{
"id": "mp-1021299",
"created_at": "2022-09-04T14:42:17.453404Z",
"structure_string": "K2 Ba2 Mg12\n1.0\n5.495881 0.000000 0.000000\n0.000000 7.225714 0.000000\n0.000000 0.000000 12.604187\nK Ba Mg\n2 2 12\ndirect\n0.000000 0.500000 0.341540 K\n0.000000 0.000000 0.841540 K\n0.500000 0.500000 0.162888 Ba\n0.500000 0.000000 0.662888 Ba\n0.000000 0.230808 0.079651 Mg\n0.000000 0.769192 0.079651 Mg\n0.000000 0.000000 0.331918 Mg\n0.500000 0.765766 0.420134 Mg\n0.500000 0.234234 0.420134 Mg\n0.500000 0.000000 0.164083 Mg\n0.000000 0.730808 0.579651 Mg\n0.000000 0.269192 0.579651 Mg\n0.000000 0.500000 0.831918 Mg\n0.500000 0.265766 0.920134 Mg\n0.500000 0.734234 0.920134 Mg\n0.500000 0.500000 0.664083 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"Ba",
"Mg"
],
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"density": 2.138189712091743,
"density_atomic": 0.03196590882384293,
"volume": 500.53324271718566,
"volume_molar": 18.839260266888356,
"formula_full": "K2 Ba2 Mg12",
"formula_reduced": "KBaMg6",
"formula_anonymous": "ABC6",
"energy": -22.195837,
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"updated_at": "2021-11-28T01:35:30.755000Z",
"spacegroup": 38
},
{
"id": "mp-1096016",
"created_at": "2022-09-04T14:47:29.225229Z",
"structure_string": "Ca2 In1 Pb1\n1.0\n-6.355400 6.882793 9.602306\n6.355400 -6.882793 9.602306\n6.355400 6.882793 -9.602306\nCa In Pb\n2 1 1\ndirect\n0.000000 0.251857 0.251857 Ca\n0.000000 0.748143 0.748143 Ca\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"In",
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],
"chemical_system": "Ca-In-Pb",
"density": 0.39748427961261074,
"density_atomic": 0.002380766814902559,
"volume": 1680.1309456103595,
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"formula_full": "Ca2 In1 Pb1",
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"updated_at": "2021-11-28T01:38:14.780000Z",
"spacegroup": 71
},
{
"id": "mp-1026635",
"created_at": "2022-09-04T14:43:35.761259Z",
"structure_string": "Cs1 Ba1 Mg14\n1.0\n7.057790 -0.000000 0.000000\n-3.528895 6.112225 0.000000\n0.000000 -0.000000 10.532473\nCs Ba Mg\n1 1 14\ndirect\n0.166667 0.333333 0.125000 Cs\n0.166667 0.333333 0.625000 Ba\n0.173236 0.836618 0.125000 Mg\n0.177974 0.838986 0.625000 Mg\n0.663382 0.326764 0.125000 Mg\n0.661014 0.322026 0.625000 Mg\n0.663382 0.836618 0.125000 Mg\n0.661014 0.838986 0.625000 Mg\n0.352847 0.147153 0.378531 Mg\n0.352847 0.147153 0.871469 Mg\n0.352847 0.705694 0.378531 Mg\n0.352847 0.705694 0.871469 Mg\n0.794306 0.147153 0.378531 Mg\n0.794306 0.147153 0.871469 Mg\n0.833333 0.666667 0.375648 Mg\n0.833333 0.666667 0.874352 Mg\n",
"nsites": 16,
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"elements": [
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"Ba",
"Mg"
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"density": 2.2311978898854252,
"density_atomic": 0.035214502989480055,
"volume": 454.35825133695124,
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"formula_full": "Cs1 Ba1 Mg14",
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"updated_at": "2021-11-28T01:36:18.469000Z",
"spacegroup": 187
},
{
"id": "mp-1094492",
"created_at": "2022-09-04T14:39:38.333570Z",
"structure_string": "Mg2 Zn4\n1.0\n1.520889 5.174066 0.000000\n-1.520889 5.174066 0.000000\n0.000000 1.365860 6.609867\nMg Zn\n2 4\ndirect\n0.618061 0.618061 0.266800 Mg\n0.940002 0.940002 0.617545 Mg\n0.996328 0.996328 0.001110 Zn\n0.336104 0.336104 0.329320 Zn\n0.666087 0.666087 0.672402 Zn\n0.276751 0.276751 0.946156 Zn\n",
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"elements": [
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],
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"volume": 104.02846725309308,
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"formula_full": "Mg2 Zn4",
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"updated_at": "2021-11-28T01:34:26.426000Z",
"spacegroup": 8
},
{
"id": "mp-1026601",
"created_at": "2022-09-04T14:45:21.122809Z",
"structure_string": "Cs1 Sr1 Mg14\n1.0\n6.921117 0.000000 0.000000\n-3.460558 5.993862 0.000000\n0.000000 0.000000 10.642461\nCs Sr Mg\n1 1 14\ndirect\n0.166667 0.333333 0.125000 Cs\n0.166667 0.333333 0.625000 Sr\n0.173064 0.836531 0.125000 Mg\n0.175985 0.837992 0.625000 Mg\n0.663469 0.326936 0.125000 Mg\n0.662008 0.324015 0.625000 Mg\n0.663469 0.836531 0.125000 Mg\n0.662008 0.837992 0.625000 Mg\n0.348531 0.151469 0.381245 Mg\n0.348531 0.151469 0.868755 Mg\n0.348531 0.697064 0.381245 Mg\n0.348531 0.697064 0.868755 Mg\n0.802936 0.151469 0.381245 Mg\n0.802936 0.151469 0.868755 Mg\n0.833333 0.666667 0.374593 Mg\n0.833333 0.666667 0.875407 Mg\n",
"nsites": 16,
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"elements": [
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"Sr",
"Mg"
],
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"density": 2.1092525471626637,
"density_atomic": 0.03624056706952538,
"volume": 441.49419542207903,
"volume_molar": 16.617126184716923,
"formula_full": "Cs1 Sr1 Mg14",
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"formula_anonymous": "ABC14",
"energy": -22.17328123,
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"updated_at": "2021-11-28T01:37:06.225000Z",
"spacegroup": 187
},
{
"id": "mp-1180534",
"created_at": "2022-09-04T14:46:19.633419Z",
"structure_string": "Mg1 Hg22 N6\n1.0\n-4.238785 4.238785 9.760419\n4.238785 -4.238785 9.760419\n4.238785 4.238785 -9.760419\nMg Hg N\n1 22 6\ndirect\n0.000000 0.000000 0.000000 Mg\n0.717283 0.717283 0.000000 Hg\n0.282717 0.282717 0.000000 Hg\n0.917141 0.506614 0.267689 Hg\n0.238925 0.649452 0.732311 Hg\n0.649452 0.917141 0.410527 Hg\n0.506614 0.238925 0.589473 Hg\n0.082859 0.493386 0.732311 Hg\n0.761075 0.350548 0.267689 Hg\n0.350548 0.082859 0.589473 Hg\n0.493386 0.761075 0.410527 Hg\n0.882013 0.262088 0.861312 Hg\n0.400776 0.020700 0.138688 Hg\n0.020700 0.882013 0.619924 Hg\n0.262088 0.400776 0.380076 Hg\n0.117987 0.737912 0.138688 Hg\n0.599224 0.979300 0.861312 Hg\n0.979300 0.117987 0.380076 Hg\n0.737912 0.599224 0.619924 Hg\n0.574232 0.574232 0.000000 Hg\n0.425768 0.425768 0.000000 Hg\n0.250000 0.750000 0.500000 Hg\n0.750000 0.250000 0.500000 Hg\n0.831045 0.831045 0.000000 N\n0.168955 0.168955 0.000000 N\n0.101203 0.754836 0.856039 N\n0.898797 0.245164 0.143961 N\n0.245164 0.101203 0.346368 N\n0.754836 0.898797 0.653632 N\n",
"nsites": 29,
"nelements": 3,
"elements": [
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"Hg",
"N"
],
"chemical_system": "Hg-Mg-N",
"density": 10.70295284440835,
"density_atomic": 0.04134155113127816,
"volume": 701.473437895735,
"volume_molar": 14.566799249687014,
"formula_full": "Mg1 Hg22 N6",
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"formula_anonymous": "AB6C22",
"energy": -40.15703361,
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"updated_at": "2021-11-28T01:37:25.476000Z",
"spacegroup": 87
},
{
"id": "mp-1026667",
"created_at": "2022-09-04T14:46:12.790121Z",
"structure_string": "Rb1 Na1 Mg14\n1.0\n6.736888 0.000000 0.000000\n-3.368444 5.834315 0.000000\n0.000000 0.000000 10.545821\nRb Na Mg\n1 1 14\ndirect\n0.166667 0.333333 0.625000 Rb\n0.166667 0.333333 0.125000 Na\n0.169137 0.834568 0.125000 Mg\n0.172590 0.836295 0.625000 Mg\n0.665432 0.330863 0.125000 Mg\n0.663705 0.327410 0.625000 Mg\n0.665432 0.834568 0.125000 Mg\n0.663705 0.836295 0.625000 Mg\n0.341617 0.158383 0.364584 Mg\n0.341617 0.158383 0.885416 Mg\n0.341617 0.683234 0.364584 Mg\n0.341617 0.683234 0.885416 Mg\n0.816766 0.158383 0.364584 Mg\n0.816766 0.158383 0.885416 Mg\n0.833333 0.666667 0.377784 Mg\n0.833333 0.666667 0.872216 Mg\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Mg-Na-Rb",
"density": 1.7976380584518201,
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"volume": 414.5048306841178,
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"formula_full": "Rb1 Na1 Mg14",
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"total_magnetization": 4e-05,
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"updated_at": "2021-11-28T01:37:24.635000Z",
"spacegroup": 187
}
]
}