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{
"id": "mp-1016281",
"created_at": "2022-09-04T14:45:41.299577Z",
"structure_string": "Mg7 Mo1\n1.0\n3.108864 -5.384711 0.000000\n3.108864 5.384711 0.000000\n0.000000 0.000000 4.934128\nMg Mo\n7 1\ndirect\n0.834506 0.669011 0.000000 Mg\n0.834506 0.165494 0.000000 Mg\n0.330989 0.165494 0.000000 Mg\n0.648553 0.824276 0.500000 Mg\n0.175724 0.824276 0.500000 Mg\n0.175724 0.351447 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.333333 0.666667 0.000000 Mo\n",
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{
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"structure_string": "Mg7 Mn1\n1.0\n3.081603 -5.337493 0.000000\n3.081603 5.337493 0.000000\n0.000000 0.000000 4.906029\nMg Mn\n7 1\ndirect\n0.832498 0.664997 0.500000 Mg\n0.335003 0.167502 0.500000 Mg\n0.832498 0.167502 0.500000 Mg\n0.489795 0.510205 0.000000 Mg\n0.020411 0.510205 0.000000 Mg\n0.489795 0.979589 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.500000 Mn\n",
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{
"id": "mp-1016283",
"created_at": "2022-09-04T14:42:07.881227Z",
"structure_string": "Sr1 Mg3\n1.0\n3.481915 0.000000 0.000000\n0.000000 5.444842 0.000000\n0.000000 0.000000 6.303416\nSr Mg\n1 3\ndirect\n0.500000 0.000000 0.161739 Sr\n0.000000 0.000000 0.656331 Mg\n0.000000 0.500000 0.373382 Mg\n0.500000 0.500000 0.808548 Mg\n",
"nsites": 4,
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"elements": [
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"volume": 119.50316746185179,
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"formula_full": "Sr1 Mg3",
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"formula_anonymous": "AB3",
"energy": -6.14951566,
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"energy_uncorrected": -6.14951566,
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"updated_at": "2021-11-28T01:35:32.859000Z",
"spacegroup": 25
},
{
"id": "mp-1016284",
"created_at": "2022-09-04T14:42:20.455637Z",
"structure_string": "Mg7 Zr1\n1.0\n3.215908 -5.570116 0.000000\n3.215908 5.570116 0.000000\n0.000000 0.000000 5.063455\nMg Zr\n7 1\ndirect\n0.832180 0.664360 0.500000 Mg\n0.335640 0.167820 0.500000 Mg\n0.832180 0.167820 0.500000 Mg\n0.497457 0.502543 0.000000 Mg\n0.005085 0.502543 0.000000 Mg\n0.497457 0.994915 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.500000 Zr\n",
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"elements": [
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"chemical_system": "Mg-Zr",
"density": 2.3924438359404605,
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"volume": 181.40314242190217,
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"formula_full": "Mg7 Zr1",
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"updated_at": "2021-11-28T01:35:49.983000Z",
"spacegroup": 187
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{
"id": "mp-1016285",
"created_at": "2022-09-04T14:44:15.081634Z",
"structure_string": "Mg7 Cu1\n1.0\n3.098355 -5.366508 0.000000\n3.098355 5.366508 0.000000\n0.000000 0.000000 5.010701\nMg Cu\n7 1\ndirect\n0.165924 0.331847 0.000000 Mg\n0.165924 0.834076 0.000000 Mg\n0.668153 0.834076 0.000000 Mg\n0.989635 0.494817 0.500000 Mg\n0.505183 0.494817 0.500000 Mg\n0.505183 0.010365 0.500000 Mg\n0.000000 0.000000 0.500000 Mg\n0.666667 0.333333 0.000000 Cu\n",
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"elements": [
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"density": 2.3287402981606085,
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"volume": 166.62932742163267,
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"formula_full": "Mg7 Cu1",
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"updated_at": "2021-11-28T01:36:42.881000Z",
"spacegroup": 187
},
{
"id": "mp-1016287",
"created_at": "2022-09-04T14:39:46.340913Z",
"structure_string": "K1 Mg3\n1.0\n3.241938 0.000000 0.000000\n0.000000 5.270290 0.000000\n0.000000 0.000000 7.278526\nK Mg\n1 3\ndirect\n0.500000 0.000000 0.140137 K\n0.000000 0.000000 0.648849 Mg\n0.000000 0.500000 0.416387 Mg\n0.500000 0.500000 0.794627 Mg\n",
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"elements": [
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"Mg"
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"chemical_system": "K-Mg",
"density": 1.4956708645165808,
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"volume": 124.36055621696156,
"volume_molar": 18.722919363260893,
"formula_full": "K1 Mg3",
"formula_reduced": "KMg3",
"formula_anonymous": "AB3",
"energy": -5.09716059,
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"updated_at": "2021-11-28T01:34:45.704000Z",
"spacegroup": 25
},
{
"id": "mp-1016293",
"created_at": "2022-09-04T14:39:35.811602Z",
"structure_string": "K1 Mg7\n1.0\n3.381618 -5.857134 0.000000\n3.381618 5.857134 0.000000\n0.000000 0.000000 5.394522\nK Mg\n1 7\ndirect\n0.000000 0.000000 0.000000 K\n0.004192 0.502096 0.000000 Mg\n0.497904 0.502096 0.000000 Mg\n0.497904 0.995808 0.000000 Mg\n0.174087 0.348174 0.500000 Mg\n0.174087 0.825913 0.500000 Mg\n0.651826 0.825913 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n",
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"density": 1.6258752928004254,
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"volume": 213.69416844092828,
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"formula_full": "K1 Mg7",
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"updated_at": "2021-11-28T01:34:30.093000Z",
"spacegroup": 187
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{
"id": "mp-1016296",
"created_at": "2022-09-04T14:39:12.080045Z",
"structure_string": "Sr1 Mg6 Mo1\n1.0\n6.559894 0.000000 0.000000\n0.000000 6.559894 0.000000\n0.000000 0.000000 4.360842\nSr Mg Mo\n1 6 1\ndirect\n0.500000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.216241 0.783759 0.000000 Mg\n0.783759 0.216241 0.000000 Mg\n0.216241 0.216241 0.000000 Mg\n0.783759 0.783759 0.000000 Mg\n0.000000 0.000000 0.500000 Mo\n",
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"density": 2.914711083195848,
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"volume": 187.65666563001218,
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"formula_full": "Sr1 Mg6 Mo1",
"formula_reduced": "SrMg6Mo",
"formula_anonymous": "ABC6",
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"updated_at": "2021-11-28T01:34:43.554000Z",
"spacegroup": 123
},
{
"id": "mp-1016298",
"created_at": "2022-09-04T14:40:01.821341Z",
"structure_string": "Mg7 V1\n1.0\n3.145385 -5.447967 0.000000\n3.145385 5.447967 0.000000\n0.000000 0.000000 5.060557\nMg V\n7 1\ndirect\n0.834506 0.669012 0.000000 Mg\n0.834506 0.165494 0.000000 Mg\n0.330988 0.165494 0.000000 Mg\n0.654926 0.827463 0.500000 Mg\n0.172537 0.827463 0.500000 Mg\n0.172537 0.345074 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.333333 0.666667 0.000000 V\n",
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"elements": [
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"density": 2.116679392509112,
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"volume": 173.43494071722748,
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"formula_full": "Mg7 V1",
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"updated_at": "2021-11-28T01:34:52.263000Z",
"spacegroup": 187
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{
"id": "mp-10163",
"created_at": "2022-09-04T14:39:42.871173Z",
"structure_string": "Na2 Al2 Te4\n1.0\n-4.154953 4.154953 3.437883\n4.154953 -4.154953 3.437883\n4.154953 4.154953 -3.437883\nNa Al Te\n2 2 4\ndirect\n0.250000 0.250000 0.000000 Na\n0.750000 0.750000 0.000000 Na\n0.250000 0.750000 0.500000 Al\n0.750000 0.250000 0.500000 Al\n0.173307 0.673307 0.846613 Te\n0.326693 0.173307 0.500000 Te\n0.673307 0.826693 0.500000 Te\n0.826693 0.326693 0.153387 Te\n",
"nsites": 8,
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"density": 4.2691309588580015,
"density_atomic": 0.03369819757250666,
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"spacegroup": 140
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{
"id": "mp-1016300",
"created_at": "2022-09-04T14:42:21.651360Z",
"structure_string": "Sr2 Mg12 Cr2\n1.0\n5.203081 0.000000 0.000000\n0.000000 6.682449 0.000000\n0.000000 0.000000 11.633869\nSr Mg Cr\n2 12 2\ndirect\n0.000000 0.500000 0.329062 Sr\n0.000000 0.000000 0.829062 Sr\n0.000000 0.261544 0.081671 Mg\n0.000000 0.738456 0.081671 Mg\n0.000000 0.000000 0.337925 Mg\n0.500000 0.765476 0.425155 Mg\n0.500000 0.234524 0.425155 Mg\n0.500000 0.000000 0.166928 Mg\n0.000000 0.761544 0.581671 Mg\n0.000000 0.238456 0.581671 Mg\n0.000000 0.500000 0.837925 Mg\n0.500000 0.265476 0.925155 Mg\n0.500000 0.734524 0.925155 Mg\n0.500000 0.500000 0.666928 Mg\n0.500000 0.500000 0.152433 Cr\n0.500000 0.000000 0.652433 Cr\n",
"nsites": 16,
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"volume": 404.5017539493743,
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"formula_full": "Sr2 Mg12 Cr2",
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{
"id": "mp-1016301",
"created_at": "2022-09-04T14:42:52.703433Z",
"structure_string": "Mg7 Ni1\n1.0\n3.080056 -5.334814 0.000000\n3.080056 5.334814 0.000000\n0.000000 0.000000 4.911347\nMg Ni\n7 1\ndirect\n0.166906 0.333812 0.000000 Mg\n0.666188 0.833094 0.000000 Mg\n0.166906 0.833094 0.000000 Mg\n0.825831 0.174169 0.500000 Mg\n0.348337 0.174169 0.500000 Mg\n0.825831 0.651663 0.500000 Mg\n0.333333 0.666667 0.500000 Mg\n0.666667 0.333333 0.000000 Ni\n",
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"updated_at": "2021-11-28T01:35:58.223000Z",
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]
}