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{
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{
"id": "mp-1077098",
"created_at": "2022-09-04T14:43:41.639420Z",
"structure_string": "Hg6\n1.0\n6.483430 0.000000 0.000000\n0.000000 6.074048 0.000000\n0.000000 2.490036 5.728988\nHg\n6\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.000000 0.500000 Hg\n0.357274 0.583110 0.260136 Hg\n0.857274 0.416890 0.239864 Hg\n0.642726 0.416890 0.739864 Hg\n0.142726 0.583110 0.760136 Hg\n",
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{
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{
"id": "mp-605790",
"created_at": "2022-09-04T14:45:37.669797Z",
"structure_string": "Ba1\n1.0\n2.142620 -3.711126 0.000000\n2.142620 3.711126 0.000000\n0.000000 0.000000 3.975379\nBa\n1\ndirect\n0.000000 0.000000 0.000000 Ba\n",
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"updated_at": "2021-11-28T01:37:03.098000Z",
"spacegroup": 191
},
{
"id": "mp-1096533",
"created_at": "2022-09-04T14:47:24.200500Z",
"structure_string": "Mg2 Tl1 Hg1\n1.0\n-6.209700 6.420731 8.777173\n6.209700 -6.420731 8.777173\n6.209700 6.420731 -8.777173\nMg Tl Hg\n2 1 1\ndirect\n0.755237 0.000000 0.755237 Mg\n0.244763 0.000000 0.244763 Mg\n0.500000 0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
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"formula_full": "Mg2 Tl1 Hg1",
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"updated_at": "2021-11-28T01:38:07.578000Z",
"spacegroup": 71
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{
"id": "mp-807421",
"created_at": "2022-09-04T14:46:15.227590Z",
"structure_string": "Li4 Mn2 V2 P8 O28\n1.0\n7.158114 0.000000 0.000000\n-1.744575 9.451797 0.000000\n-1.750527 -5.109986 7.954266\nLi Mn V P O\n4 2 2 8 28\ndirect\n0.325041 0.793116 0.568180 Li\n0.674270 0.042109 0.819310 Li\n0.325728 0.289750 0.071560 Li\n0.675924 0.541537 0.319144 Li\n0.269945 0.256715 0.742784 Mn\n0.730712 0.988218 0.509935 Mn\n0.271786 0.756244 0.243042 V\n0.727520 0.494515 0.005753 V\n0.518451 0.708746 0.470335 P\n0.521760 0.209387 0.969821 P\n0.087097 0.242886 0.545071 P\n0.088447 0.738437 0.044569 P\n0.910920 0.866467 0.419749 P\n0.913650 0.363732 0.920496 P\n0.483367 0.576259 0.102318 P\n0.476991 0.081457 0.598500 P\n0.084628 0.058271 0.875327 O\n0.391859 0.370116 0.806391 O\n0.505214 0.884731 0.956679 O\n0.112379 0.684211 0.518431 O\n0.150131 0.137078 0.690086 O\n0.480916 0.405255 0.628897 O\n0.494919 0.886108 0.454384 O\n0.506672 0.386263 0.956782 O\n0.604432 0.911980 0.765268 O\n0.609297 0.401720 0.271371 O\n0.916120 0.493035 0.939726 O\n0.911232 0.998218 0.438291 O\n0.750921 0.654184 0.500768 O\n0.246231 0.059361 0.595260 O\n0.250566 0.558280 0.095610 O\n0.087571 0.560656 0.376430 O\n0.395710 0.867583 0.306277 O\n0.492299 0.394120 0.448686 O\n0.517976 0.952905 0.584164 O\n0.517829 0.451969 0.084524 O\n0.855700 0.587616 0.736747 O\n0.846257 0.091243 0.235388 O\n0.888252 0.664602 0.029300 O\n0.885817 0.175935 0.528835 O\n0.113531 0.170406 0.025417 O\n0.147054 0.640064 0.185417 O\n0.482542 0.909532 0.128536 O\n0.752333 0.151726 0.000859 O\n",
"nsites": 44,
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"elements": [
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"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.8859263748007242,
"density_atomic": 0.0817597528655807,
"volume": 538.1620963597991,
"volume_molar": 7.365654309034985,
"formula_full": "Li4 Mn2 V2 P8 O28",
"formula_reduced": "Li2MnV(P2O7)2",
"formula_anonymous": "ABC2D4E14",
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"updated_at": "2021-11-28T01:37:30.793000Z",
"spacegroup": 1
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{
"id": "mp-1097282",
"created_at": "2022-09-04T14:39:40.260156Z",
"structure_string": "Li1 Cd1 Hg2\n1.0\n-5.757913 5.836900 8.247286\n5.757913 -5.836900 8.247286\n5.757913 5.836900 -8.247286\nLi Cd Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Cd\n0.000000 0.237947 0.237947 Hg\n0.000000 0.762053 0.762053 Hg\n",
"nsites": 4,
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"elements": [
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"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Li",
"density": 0.779611312960708,
"density_atomic": 0.0036077928475945864,
"volume": 1108.7111064779976,
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"formula_full": "Li1 Cd1 Hg2",
"formula_reduced": "LiCdHg2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:40.454000Z",
"spacegroup": 71
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{
"id": "mp-1097441",
"created_at": "2022-09-04T14:44:00.143731Z",
"structure_string": "Mg1 In1 Hg2\n1.0\n-6.008806 6.324508 8.499362\n6.008806 -6.324508 8.499362\n6.008806 6.324508 -8.499362\nMg In Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 In\n0.245169 0.000000 0.245169 Hg\n0.754831 0.000000 0.754831 Hg\n",
"nsites": 4,
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"density": 0.6944248110651797,
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"volume": 1291.9962319966241,
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"formula_full": "Mg1 In1 Hg2",
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"updated_at": "2021-11-28T01:36:27.025000Z",
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{
"id": "mp-1097453",
"created_at": "2022-09-04T14:41:54.930994Z",
"structure_string": "Ba2 Na1 Cd1\n1.0\n-7.264480 7.392651 10.307039\n7.264480 -7.392651 10.307039\n7.264480 7.392651 -10.307039\nBa Na Cd\n2 1 1\ndirect\n0.735877 0.000000 0.735877 Ba\n0.264123 0.000000 0.264123 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Cd\n",
"nsites": 4,
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"volume": 2214.10721507979,
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"formula_full": "Ba2 Na1 Cd1",
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"spacegroup": 71
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{
"id": "mp-1093971",
"created_at": "2022-09-04T14:46:24.868291Z",
"structure_string": "Sr2 Li1 Hg1\n1.0\n-6.599712 7.196462 9.331368\n6.599712 -7.196462 9.331368\n6.599712 7.196462 -9.331368\nSr Li Hg\n2 1 1\ndirect\n0.251407 0.000000 0.251407 Sr\n0.748593 0.000000 0.748593 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"formula_full": "Sr2 Li1 Hg1",
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{
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"structure_string": "Cd2\n1.0\n1.503923 -2.604871 0.000000\n1.503923 2.604871 0.000000\n0.000000 0.000000 5.941963\nCd\n2\ndirect\n0.333333 0.666667 0.250000 Cd\n0.666667 0.333333 0.750000 Cd\n",
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{
"id": "mp-1225895",
"created_at": "2022-09-04T14:40:29.200662Z",
"structure_string": "Cs1 Rb1\n1.0\n3.006029 -4.211392 0.000000\n3.006029 4.211392 0.000000\n0.000000 0.000000 8.097688\nCs Rb\n1 1\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Rb\n",
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"formula_full": "Cs1 Rb1",
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{
"id": "mp-639736",
"created_at": "2022-09-04T14:40:25.240816Z",
"structure_string": "Rb2\n1.0\n-2.378988 2.378988 8.488669\n2.378988 -2.378988 8.488669\n2.378988 2.378988 -8.488669\nRb\n2\ndirect\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n",
"nsites": 2,
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"elements": [
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"formula_full": "Rb2",
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"energy": -1.82067884,
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"updated_at": "2021-11-28T01:34:54.355000Z",
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}
]
}