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{
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"results": [
{
"id": "mp-20452",
"created_at": "2022-09-04T14:47:57.786389Z",
"structure_string": "Ba2 Mg4 Pb4\n1.0\n5.030288 0.000000 0.000000\n0.000000 5.030288 0.000000\n0.000000 0.000000 12.437903\nBa Mg Pb\n2 4 4\ndirect\n0.000000 0.500000 0.747217 Ba\n0.500000 0.000000 0.252783 Ba\n0.500000 0.000000 0.635744 Mg\n0.000000 0.500000 0.364256 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.865329 Pb\n0.000000 0.500000 0.134671 Pb\n0.000000 0.000000 0.500000 Pb\n0.500000 0.500000 0.500000 Pb\n",
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{
"id": "mp-1112204",
"created_at": "2022-09-04T14:48:19.514453Z",
"structure_string": "K2 Ga1 Hg1 Br6\n1.0\n0.000000 5.521300 5.521300\n5.521300 0.000000 5.521300\n5.521300 5.521300 0.000000\nK Ga Hg Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Hg\n0.762187 0.237813 0.237813 Br\n0.237813 0.237813 0.762187 Br\n0.237813 0.762187 0.762187 Br\n0.237813 0.762187 0.237813 Br\n0.762187 0.237813 0.762187 Br\n0.762187 0.762187 0.237813 Br\n",
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"formula_full": "K2 Ga1 Hg1 Br6",
"formula_reduced": "K2GaHgBr6",
"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:38:45.594000Z",
"spacegroup": 225
},
{
"id": "mp-1016616",
"created_at": "2022-09-04T14:45:32.714993Z",
"structure_string": "Mg12 Cr2 Sb2\n1.0\n5.164354 0.000000 0.000000\n0.000000 6.217648 0.000000\n0.000000 0.000000 10.877643\nMg Cr Sb\n12 2 2\ndirect\n0.500000 0.249347 0.416488 Mg\n0.500000 0.750653 0.416488 Mg\n0.000000 0.758021 0.083045 Mg\n0.000000 0.241979 0.083045 Mg\n0.000000 0.000000 0.330658 Mg\n0.000000 0.500000 0.335601 Mg\n0.500000 0.749347 0.916488 Mg\n0.500000 0.250653 0.916488 Mg\n0.000000 0.258021 0.583045 Mg\n0.000000 0.741979 0.583045 Mg\n0.000000 0.500000 0.830658 Mg\n0.000000 0.000000 0.835601 Mg\n0.500000 0.000000 0.167058 Cr\n0.500000 0.500000 0.667058 Cr\n0.500000 0.500000 0.167612 Sb\n0.500000 0.000000 0.667612 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Sb"
],
"chemical_system": "Cr-Mg-Sb",
"density": 3.0387154778525534,
"density_atomic": 0.04580818087781085,
"volume": 349.2825886860372,
"volume_molar": 13.146430713028122,
"formula_full": "Mg12 Cr2 Sb2",
"formula_reduced": "Mg6CrSb",
"formula_anonymous": "ABC6",
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"updated_at": "2021-11-28T01:37:07.440000Z",
"spacegroup": 38
},
{
"id": "mp-34611",
"created_at": "2022-09-04T14:41:55.943423Z",
"structure_string": "Zn1 Ag1 As1\n1.0\n0.000000 3.120292 3.120292\n3.120292 0.000000 3.120292\n3.120292 3.120292 0.000000\nZn Ag As\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Ag\n0.000000 0.000000 0.000000 As\n",
"nsites": 3,
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"density": 6.783175698491685,
"density_atomic": 0.04937482236446534,
"volume": 60.759712264991876,
"volume_molar": 12.196784659895984,
"formula_full": "Zn1 Ag1 As1",
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"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "mp-1096166",
"created_at": "2022-09-04T14:47:22.501810Z",
"structure_string": "Be1 Al1 Co2\n1.0\n-4.564963 4.767122 6.744159\n4.564963 -4.767122 6.744159\n4.564963 4.767122 -6.744159\nBe Al Co\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Al\n0.000000 0.239337 0.239337 Co\n0.000000 0.760663 0.760663 Co\n",
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"elements": [
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"chemical_system": "Al-Be-Co",
"density": 0.43520494104634705,
"density_atomic": 0.006813631954673297,
"volume": 587.0584185658138,
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"formula_full": "Be1 Al1 Co2",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:38:07.653000Z",
"spacegroup": 71
},
{
"id": "mp-867206",
"created_at": "2022-09-04T14:44:12.851154Z",
"structure_string": "Li1 Cd2 Pt1\n1.0\n0.000000 3.286235 3.286235\n3.286235 0.000000 3.286235\n3.286235 3.286235 0.000000\nLi Cd Pt\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.750000 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
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"elements": [
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"Pt"
],
"chemical_system": "Cd-Li-Pt",
"density": 9.98609020789973,
"density_atomic": 0.05635521945316437,
"volume": 70.97834129320205,
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"formula_full": "Li1 Cd2 Pt1",
"formula_reduced": "LiCd2Pt",
"formula_anonymous": "ABC2",
"energy": -11.53765885,
"energy_per_atom": -2.8844147125,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:29.263000Z",
"spacegroup": 225
},
{
"id": "mp-7580",
"created_at": "2022-09-04T14:42:40.278507Z",
"structure_string": "Hg6 S4 F4\n1.0\n-4.200165 4.200165 4.200165\n4.200165 -4.200165 4.200165\n4.200165 4.200165 -4.200165\nHg S F\n6 4 4\ndirect\n0.919281 0.169281 0.750000 Hg\n0.250000 0.580719 0.330719 Hg\n0.330719 0.250000 0.580719 Hg\n0.750000 0.919281 0.169281 Hg\n0.169281 0.750000 0.919281 Hg\n0.580719 0.330719 0.250000 Hg\n0.500000 0.000000 0.932060 S\n0.000000 0.932060 0.500000 S\n0.567940 0.567940 0.567940 S\n0.932060 0.500000 0.000000 S\n0.500000 0.000000 0.465097 F\n0.000000 0.465097 0.500000 F\n0.465097 0.500000 0.000000 F\n0.034903 0.034903 0.034903 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"S",
"F"
],
"chemical_system": "F-Hg-S",
"density": 7.887312382587821,
"density_atomic": 0.04723555140385207,
"volume": 296.38692857215796,
"volume_molar": 12.749170023468578,
"formula_full": "Hg6 S4 F4",
"formula_reduced": "Hg3(SF)2",
"formula_anonymous": "A2B2C3",
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"updated_at": "2021-11-28T01:35:52.889000Z",
"spacegroup": 199
},
{
"id": "mp-1208143",
"created_at": "2022-09-04T14:42:55.054590Z",
"structure_string": "Tl8 Sn2 I12\n1.0\n4.659133 0.000000 0.000000\n0.000000 10.084448 0.000000\n0.000000 0.000000 19.479890\nTl Sn I\n8 2 12\ndirect\n0.500000 0.106392 0.419233 Tl\n0.500000 0.893608 0.580767 Tl\n0.500000 0.393608 0.919233 Tl\n0.500000 0.606392 0.080767 Tl\n0.500000 0.292428 0.204831 Tl\n0.500000 0.707572 0.795169 Tl\n0.500000 0.207572 0.704831 Tl\n0.500000 0.792428 0.295169 Tl\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500000 0.500000 Sn\n0.000000 0.300181 0.053213 I\n0.000000 0.699819 0.946787 I\n0.000000 0.199819 0.553213 I\n0.000000 0.800181 0.446787 I\n0.000000 0.092335 0.286455 I\n0.000000 0.907665 0.713545 I\n0.000000 0.407665 0.786455 I\n0.000000 0.592335 0.213545 I\n0.500000 0.440853 0.388694 I\n0.500000 0.559147 0.611306 I\n0.500000 0.059147 0.888694 I\n0.500000 0.940853 0.111306 I\n",
"nsites": 22,
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"elements": [
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],
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"density_atomic": 0.024036926846229118,
"volume": 915.2584330243253,
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"formula_full": "Tl8 Sn2 I12",
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"formula_anonymous": "AB4C6",
"energy": -63.45280501,
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"updated_at": "2021-11-28T01:36:01.568000Z",
"spacegroup": 55
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{
"id": "mp-2522",
"created_at": "2022-09-04T14:48:07.140169Z",
"structure_string": "Lu1 Hg1\n1.0\n3.655831 0.000000 0.000000\n0.000000 3.655831 0.000000\n0.000000 0.000000 3.655831\nLu Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.000000 Hg\n",
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{
"id": "mp-1112203",
"created_at": "2022-09-04T14:45:37.252811Z",
"structure_string": "K2 In1 Hg1 Br6\n1.0\n0.000000 5.665119 5.665119\n5.665119 0.000000 5.665119\n5.665119 5.665119 0.000000\nK In Hg Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Hg\n0.757234 0.242766 0.242766 Br\n0.242766 0.242766 0.757234 Br\n0.242766 0.757234 0.757234 Br\n0.242766 0.757234 0.242766 Br\n0.757234 0.242766 0.757234 Br\n0.757234 0.757234 0.242766 Br\n",
"nsites": 10,
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"updated_at": "2021-11-28T01:37:05.542000Z",
"spacegroup": 225
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{
"id": "mp-1110762",
"created_at": "2022-09-04T14:42:00.393687Z",
"structure_string": "Rb2 Cu1 Sb1 I6\n1.0\n0.000000 5.894278 5.894278\n5.894278 0.000000 5.894278\n5.894278 5.894278 0.000000\nRb Cu Sb I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Sb\n0.741738 0.258262 0.258262 I\n0.258262 0.258262 0.741738 I\n0.258262 0.741738 0.741738 I\n0.258262 0.741738 0.258262 I\n0.741738 0.258262 0.741738 I\n0.741738 0.741738 0.258262 I\n",
"nsites": 10,
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"volume": 409.5640617467623,
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"formula_full": "Rb2 Cu1 Sb1 I6",
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"formula_anonymous": "ABC2D6",
"energy": -28.83704668,
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{
"id": "mp-865096",
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"structure_string": "Na1 Ho1 Tl2\n1.0\n0.000000 3.781696 3.781696\n3.781696 0.000000 3.781696\n3.781696 3.781696 0.000000\nNa Ho Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Ho\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n",
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}
]
}