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{
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"results": [
{
"id": "mp-975015",
"created_at": "2022-09-04T14:45:55.293943Z",
"structure_string": "Rb3 Ga1\n1.0\n-3.134327 3.134327 5.635995\n3.134327 -3.134327 5.635995\n3.134327 3.134327 -5.635995\nRb Ga\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Ga\n",
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{
"id": "mp-1097393",
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"structure_string": "Mg2 Cd1 Rh1\n1.0\n-5.614682 6.388539 9.283333\n5.614682 -6.388539 9.283333\n5.614682 6.388539 -9.283333\nMg Cd Rh\n2 1 1\ndirect\n0.000000 0.223293 0.223293 Mg\n0.000000 0.776707 0.776707 Mg\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Rh\n",
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"updated_at": "2021-11-28T01:36:36.580000Z",
"spacegroup": 71
},
{
"id": "mp-972106",
"created_at": "2022-09-04T14:39:46.798611Z",
"structure_string": "Tl2 I6 O18\n1.0\n5.787671 0.000000 0.000000\n0.000000 8.185003 0.000000\n0.000000 4.092502 7.088421\nTl I O\n2 6 18\ndirect\n0.175652 0.175652 0.824348 Tl\n0.824348 0.824348 0.175652 Tl\n0.716274 0.125073 0.579818 I\n0.420182 0.716274 0.874927 I\n0.125073 0.420182 0.283726 I\n0.283726 0.874927 0.420182 I\n0.579818 0.283726 0.125073 I\n0.874927 0.579818 0.716274 I\n0.782053 0.257317 0.417798 O\n0.582202 0.782053 0.742683 O\n0.257317 0.582202 0.217947 O\n0.217947 0.742683 0.582202 O\n0.417798 0.217947 0.257317 O\n0.742683 0.417798 0.782053 O\n0.686030 0.914505 0.428935 O\n0.571065 0.686030 0.085495 O\n0.914505 0.571065 0.313970 O\n0.313970 0.085495 0.571065 O\n0.428935 0.313970 0.914505 O\n0.085495 0.428935 0.686030 O\n0.932421 0.039871 0.696527 O\n0.303473 0.932421 0.960129 O\n0.039871 0.303473 0.067579 O\n0.067579 0.960129 0.303473 O\n0.696527 0.067579 0.039871 O\n0.960129 0.696527 0.932421 O\n",
"nsites": 26,
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"elements": [
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],
"chemical_system": "I-O-Tl",
"density": 7.21088937451637,
"density_atomic": 0.07742855703913476,
"volume": 335.79342033790977,
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"formula_full": "Tl2 I6 O18",
"formula_reduced": "Tl(IO3)3",
"formula_anonymous": "AB3C9",
"energy": -33.24466352,
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"updated_at": "2021-11-28T01:34:44.184000Z",
"spacegroup": 2
},
{
"id": "mp-1093582",
"created_at": "2022-09-04T14:48:20.475609Z",
"structure_string": "Ba2 Cd1 Ge1\n1.0\n-6.775685 6.975361 9.852347\n6.775685 -6.975361 9.852347\n6.775685 6.975361 -9.852347\nBa Cd Ge\n2 1 1\ndirect\n0.000000 0.216915 0.216915 Ba\n0.000000 0.783085 0.783085 Ba\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.4098347106356397,
"density_atomic": 0.0021475357602241505,
"volume": 1862.5999501784768,
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"formula_full": "Ba2 Cd1 Ge1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:39:07.151000Z",
"spacegroup": 71
},
{
"id": "mp-1096593",
"created_at": "2022-09-04T14:45:19.777629Z",
"structure_string": "La1 Y1 Hg2\n1.0\n-6.140412 6.351773 8.983111\n6.140412 -6.351773 8.983111\n6.140412 6.351773 -8.983111\nLa Y Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Y\n0.000000 0.246129 0.246129 Hg\n0.000000 0.753871 0.753871 Hg\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.7452714966998385,
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"volume": 1401.4552603143024,
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"formula_full": "La1 Y1 Hg2",
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"updated_at": "2021-11-28T01:36:54.764000Z",
"spacegroup": 71
},
{
"id": "mp-1021289",
"created_at": "2022-09-04T14:44:09.475887Z",
"structure_string": "Cs2 Li2 Mg12\n1.0\n5.340822 0.000000 0.000000\n0.000000 7.260362 0.000000\n0.000000 0.000000 11.758861\nCs Li Mg\n2 2 12\ndirect\n0.500000 0.500000 0.175330 Cs\n0.500000 0.000000 0.675330 Cs\n0.000000 0.500000 0.350118 Li\n0.000000 0.000000 0.850118 Li\n0.000000 0.785847 0.068803 Mg\n0.000000 0.214153 0.068803 Mg\n0.000000 0.500000 0.831619 Mg\n0.500000 0.744139 0.921780 Mg\n0.500000 0.255861 0.921780 Mg\n0.500000 0.500000 0.661768 Mg\n0.000000 0.285847 0.568803 Mg\n0.000000 0.714153 0.568803 Mg\n0.000000 0.000000 0.331619 Mg\n0.500000 0.244139 0.421780 Mg\n0.500000 0.755861 0.421780 Mg\n0.500000 0.000000 0.161768 Mg\n",
"nsites": 16,
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"elements": [
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"Li",
"Mg"
],
"chemical_system": "Cs-Li-Mg",
"density": 2.080759569914576,
"density_atomic": 0.03509040227497437,
"volume": 455.96513470040253,
"volume_molar": 17.161788892613654,
"formula_full": "Cs2 Li2 Mg12",
"formula_reduced": "CsLiMg6",
"formula_anonymous": "ABC6",
"energy": -20.48455059,
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"updated_at": "2021-11-28T01:36:35.244000Z",
"spacegroup": 38
},
{
"id": "mp-1408617",
"created_at": "2022-09-04T14:41:48.969230Z",
"structure_string": "V2 Ni1 O6\n1.0\n4.948966 0.000000 0.000000\n-2.469341 4.494626 0.000000\n-0.231333 -2.620646 4.576411\nV Ni O\n2 1 6\ndirect\n0.005798 0.981580 0.966410 V\n0.040734 0.496671 0.458968 V\n0.603360 0.302424 0.097108 Ni\n0.476626 0.859623 0.280126 O\n0.853758 0.605204 0.272771 O\n0.126254 0.256372 0.295975 O\n0.875323 0.755996 0.778636 O\n0.047909 0.339459 0.800776 O\n0.469437 0.151870 0.800833 O\n",
"nsites": 9,
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"elements": [
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"Ni",
"O"
],
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"density": 4.185300646044114,
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"volume": 101.79654793249894,
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"formula_full": "V2 Ni1 O6",
"formula_reduced": "V2NiO6",
"formula_anonymous": "AB2C6",
"energy": -11.52656674,
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"spacegroup": 1
},
{
"id": "mp-1095901",
"created_at": "2022-09-04T14:48:04.025214Z",
"structure_string": "Sr1 Ca1 Ag2\n1.0\n-6.171157 6.543149 9.253444\n6.171157 -6.543149 9.253444\n6.171157 6.543149 -9.253444\nSr Ca Ag\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Ca\n0.000000 0.242091 0.242091 Ag\n0.000000 0.757909 0.757909 Ag\n",
"nsites": 4,
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"elements": [
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"Ca",
"Ag"
],
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"density": 0.38157164428836043,
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"volume": 1494.5718492209435,
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"formula_full": "Sr1 Ca1 Ag2",
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"spacegroup": 71
},
{
"id": "mp-1096341",
"created_at": "2022-09-04T14:40:40.627360Z",
"structure_string": "Cd1 In2 Ga1\n1.0\n-5.819324 5.899212 8.355359\n5.819324 -5.899212 8.355359\n5.819324 5.899212 -8.355359\nCd In Ga\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Cd\n0.000000 0.234774 0.234774 In\n0.000000 0.765226 0.765226 In\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
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"density": 0.5959531947009086,
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"volume": 1147.3387130629299,
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"spacegroup": 71
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{
"id": "mp-1094428",
"created_at": "2022-09-04T14:40:05.986438Z",
"structure_string": "Mg1 Zn5\n1.0\n1.398633 -2.422503 0.000000\n1.398633 2.422503 0.000000\n0.000000 0.000000 14.372677\nMg Zn\n1 5\ndirect\n0.666667 0.333333 0.000000 Mg\n0.000000 0.000000 0.824952 Zn\n0.666667 0.333333 0.663621 Zn\n0.000000 0.000000 0.500000 Zn\n0.666667 0.333333 0.336379 Zn\n0.000000 0.000000 0.175048 Zn\n",
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"volume": 97.39479681097325,
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"formula_full": "Mg1 Zn5",
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},
{
"id": "mp-975055",
"created_at": "2022-09-04T14:41:11.971809Z",
"structure_string": "Rb3 Ac1\n1.0\n-3.171003 3.171003 7.130632\n3.171003 -3.171003 7.130632\n3.171003 3.171003 -7.130632\nRb Ac\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Ac\n",
"nsites": 4,
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"elements": [
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],
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"density": 2.7988361663478685,
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"volume": 286.8014356391224,
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"formula_full": "Rb3 Ac1",
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"formula_anonymous": "AB3",
"energy": -5.12963631,
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"updated_at": "2021-11-28T01:35:15.786000Z",
"spacegroup": 139
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{
"id": "mp-1095866",
"created_at": "2022-09-04T14:41:48.995358Z",
"structure_string": "Sr2 In1 Pb1\n1.0\n-6.573448 7.141582 9.877578\n6.573448 -7.141582 9.877578\n6.573448 7.141582 -9.877578\nSr In Pb\n2 1 1\ndirect\n0.000000 0.252360 0.252360 Sr\n0.000000 0.747640 0.747640 Sr\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"density": 0.44517704078360576,
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"volume": 1854.8044025944087,
"volume_molar": 279.24732986728094,
"formula_full": "Sr2 In1 Pb1",
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"energy": -5.13355405,
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"updated_at": "2021-11-28T01:35:29.284000Z",
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}
]
}