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{
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{
"id": "mp-1060787",
"created_at": "2022-09-04T14:39:06.041287Z",
"structure_string": "Rb1 P1\n1.0\n4.428720 -2.443925 0.000000\n4.428720 2.443925 0.000000\n3.080076 0.000000 4.012413\nRb P\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 P\n",
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{
"id": "mp-1179688",
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"spacegroup": 12
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{
"id": "mp-1179679",
"created_at": "2022-09-04T14:46:33.934389Z",
"structure_string": "Rb1 P1\n1.0\n0.000000 3.529693 3.529693\n3.529693 0.000000 3.529693\n3.529693 3.529693 0.000000\nRb P\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 P\n",
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"formula_full": "Rb1 P1",
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"updated_at": "2021-11-28T01:37:36.792000Z",
"spacegroup": 225
},
{
"id": "mp-887457",
"created_at": "2022-09-04T14:45:56.961245Z",
"structure_string": "Li4 Mn1 V3 P8 O28\n1.0\n7.161384 0.000000 0.000000\n-1.810654 9.420759 0.000000\n-1.713327 -5.105290 7.993876\nLi Mn V P O\n4 1 3 8 28\ndirect\n0.324671 0.790914 0.569875 Li\n0.674514 0.043227 0.819241 Li\n0.324861 0.290121 0.071134 Li\n0.674753 0.544018 0.317781 Li\n0.267961 0.256600 0.742260 Mn\n0.271585 0.756308 0.243520 V\n0.727575 0.494413 0.005675 V\n0.727974 0.991296 0.507623 V\n0.522851 0.707308 0.471717 P\n0.521488 0.208350 0.970610 P\n0.086840 0.239732 0.544873 P\n0.087731 0.738365 0.044674 P\n0.913674 0.868617 0.418540 P\n0.913920 0.362502 0.921331 P\n0.481842 0.580332 0.100029 P\n0.477984 0.082222 0.598650 P\n0.084333 0.057696 0.876083 O\n0.391882 0.369803 0.806636 O\n0.505053 0.887376 0.954749 O\n0.114686 0.686389 0.517820 O\n0.144891 0.135107 0.689099 O\n0.481316 0.407701 0.628379 O\n0.506454 0.883805 0.458401 O\n0.505940 0.385270 0.957251 O\n0.605044 0.913139 0.764944 O\n0.604619 0.405964 0.268857 O\n0.916534 0.493086 0.940652 O\n0.913608 0.997555 0.438713 O\n0.753304 0.652723 0.501011 O\n0.246695 0.059146 0.594553 O\n0.248845 0.561001 0.093505 O\n0.085281 0.556179 0.377693 O\n0.395407 0.869274 0.307466 O\n0.494032 0.394832 0.448897 O\n0.517277 0.955202 0.583171 O\n0.517555 0.452227 0.084304 O\n0.851073 0.585413 0.738773 O\n0.846706 0.090693 0.235582 O\n0.887132 0.664929 0.029819 O\n0.885879 0.168845 0.528012 O\n0.113742 0.171467 0.025139 O\n0.148587 0.637674 0.186879 O\n0.481673 0.909555 0.128476 O\n0.752225 0.150360 0.002027 O\n",
"nsites": 44,
"nelements": 5,
"elements": [
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],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.8674665704106803,
"density_atomic": 0.08158539371782252,
"volume": 539.3122223836017,
"volume_molar": 7.381395719960163,
"formula_full": "Li4 Mn1 V3 P8 O28",
"formula_reduced": "Li4MnV3(P2O7)4",
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"spacegroup": 1
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{
"id": "mp-977115",
"created_at": "2022-09-04T14:42:19.437999Z",
"structure_string": "Na1 Sr1 Hg2\n1.0\n0.000000 3.900283 3.900283\n3.900283 0.000000 3.900283\n3.900283 3.900283 0.000000\nNa Sr Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
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"elements": [
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"Sr",
"Hg"
],
"chemical_system": "Hg-Na-Sr",
"density": 7.161802521011423,
"density_atomic": 0.03370867139640861,
"volume": 118.66382845412792,
"volume_molar": 17.865256951781287,
"formula_full": "Na1 Sr1 Hg2",
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"formula_anonymous": "ABC2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.998000Z",
"spacegroup": 225
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{
"id": "mp-23197",
"created_at": "2022-09-04T14:46:25.186878Z",
"structure_string": "Tl1 I1\n1.0\n4.287598 0.000000 0.000000\n0.000000 4.287598 0.000000\n0.000000 0.000000 4.287598\nTl I\n1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 I\n",
"nsites": 2,
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"elements": [
"Tl",
"I"
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"chemical_system": "I-Tl",
"density": 6.979307319030446,
"density_atomic": 0.025373934629113755,
"volume": 78.82104329634488,
"volume_molar": 23.733570879032165,
"formula_full": "Tl1 I1",
"formula_reduced": "TlI",
"formula_anonymous": "AB",
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:31.985000Z",
"spacegroup": 221
},
{
"id": "mp-1096018",
"created_at": "2022-09-04T14:43:48.442705Z",
"structure_string": "Ba1 Li2 Sn1\n1.0\n-6.338868 6.548757 9.089066\n6.338868 -6.548757 9.089066\n6.338868 6.548757 -9.089066\nBa Li Sn\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.210452 0.210452 Li\n0.000000 0.789548 0.789548 Li\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
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"elements": [
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"density": 0.29698377376632146,
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"volume": 1509.2105492277685,
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"formula_full": "Ba1 Li2 Sn1",
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"updated_at": "2021-11-28T01:36:10.658000Z",
"spacegroup": 71
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{
"id": "mp-1185567",
"created_at": "2022-09-04T14:43:44.431127Z",
"structure_string": "Cs1 Ce1\n1.0\n3.760542 -0.020892 0.014113\n-1.898327 3.202835 -0.015882\n0.027433 -0.020065 7.543382\nCs Ce\n1 1\ndirect\n0.333385 0.666503 0.249967 Cs\n0.666618 0.333499 0.750033 Ce\n",
"nsites": 2,
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"elements": [
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"Ce"
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"density": 5.006523260073462,
"density_atomic": 0.022086167655308457,
"volume": 90.55441537949639,
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"formula_full": "Cs1 Ce1",
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"spacegroup": 187
},
{
"id": "mp-1096626",
"created_at": "2022-09-04T14:47:24.568616Z",
"structure_string": "Ba2 Na1 Sn1\n1.0\n-7.030813 7.278277 10.271138\n7.030813 -7.278277 10.271138\n7.030813 7.278277 -10.271138\nBa Na Sn\n2 1 1\ndirect\n0.000000 0.272688 0.272688 Ba\n0.000000 0.727312 0.727312 Ba\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Sn\n",
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"formula_full": "Ba2 Na1 Sn1",
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"spacegroup": 71
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{
"id": "mp-1185878",
"created_at": "2022-09-04T14:41:23.545714Z",
"structure_string": "Mg2 Hg4\n1.0\n1.756447 5.898415 0.000000\n-1.756447 5.898415 0.000000\n0.000000 2.334882 6.711736\nMg Hg\n2 4\ndirect\n0.029082 0.029082 0.719597 Mg\n0.970918 0.970918 0.280403 Mg\n0.642961 0.642961 0.952528 Hg\n0.357039 0.357039 0.047472 Hg\n0.666571 0.666571 0.381271 Hg\n0.333429 0.333429 0.618729 Hg\n",
"nsites": 6,
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"volume": 139.07057050836409,
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"updated_at": "2021-11-28T01:35:20.930000Z",
"spacegroup": 12
},
{
"id": "mp-1095800",
"created_at": "2022-09-04T14:41:57.121247Z",
"structure_string": "Li1 Ca2 Sn1\n1.0\n-6.329167 6.475028 8.927843\n6.329167 -6.475028 8.927843\n6.329167 6.475028 -8.927843\nLi Ca Sn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.738050 0.000000 0.738050 Ca\n0.261950 0.000000 0.261950 Ca\n0.500000 0.000000 0.500000 Sn\n",
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"density": 0.23351484676825604,
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"volume": 1463.506789437269,
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"formula_full": "Li1 Ca2 Sn1",
"formula_reduced": "LiCa2Sn",
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"updated_at": "2021-11-28T01:35:39.510000Z",
"spacegroup": 71
},
{
"id": "mp-1097095",
"created_at": "2022-09-04T14:43:10.554259Z",
"structure_string": "Sr1 Li2 Ge1\n1.0\n-6.078522 6.538727 9.478352\n6.078522 -6.538727 9.478352\n6.078522 6.538727 -9.478352\nSr Li Ge\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Sr\n0.000000 0.204089 0.204089 Li\n0.000000 0.795911 0.795911 Li\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
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"elements": [
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"density": 0.19189718441485135,
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"volume": 1506.898577056338,
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"formula_full": "Sr1 Li2 Ge1",
"formula_reduced": "SrLi2Ge",
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"updated_at": "2021-11-28T01:36:02.568000Z",
"spacegroup": 71
}
]
}