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{
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"results": [
{
"id": "mp-1207356",
"created_at": "2022-09-04T14:48:22.892212Z",
"structure_string": "Rb1 Tm3 O6\n1.0\n6.030232 -7.359416 0.000000\n6.030232 7.359416 0.000000\n0.000000 0.000000 49.783382\nRb Tm O\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Tm\n0.500000 0.000000 0.000000 Tm\n0.000000 0.500000 0.000000 Tm\n0.000000 0.000000 0.231065 O\n0.000000 0.000000 0.768935 O\n0.298232 0.014308 0.000000 O\n0.701768 0.985692 0.000000 O\n0.014308 0.298232 0.000000 O\n0.985692 0.701768 0.000000 O\n",
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"elements": [
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"volume": 4418.672012131203,
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{
"id": "mp-1097359",
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"structure_string": "Ba1 Ca1 Hg2\n1.0\n-6.723908 6.898591 9.529650\n6.723908 -6.898591 9.529650\n6.723908 6.898591 -9.529650\nBa Ca Hg\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ca\n0.238050 0.000000 0.238050 Hg\n0.761950 0.000000 0.761950 Hg\n",
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"elements": [
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"formula_full": "Ba1 Ca1 Hg2",
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"updated_at": "2021-11-28T01:37:26.776000Z",
"spacegroup": 71
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{
"id": "mp-1095796",
"created_at": "2022-09-04T14:39:09.862556Z",
"structure_string": "Sr2 Zn1 Hg1\n1.0\n-6.602590 7.174756 9.335879\n6.602590 -7.174756 9.335879\n6.602590 7.174756 -9.335879\nSr Zn Hg\n2 1 1\ndirect\n0.249283 0.000000 0.249283 Sr\n0.750717 0.000000 0.750717 Sr\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Hg-Sr-Zn",
"density": 0.4141773237978437,
"density_atomic": 0.002261118481705077,
"volume": 1769.0360024759325,
"volume_molar": 266.33459541044436,
"formula_full": "Sr2 Zn1 Hg1",
"formula_reduced": "Sr2ZnHg",
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"energy": -1.2179014,
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"updated_at": "2021-11-28T01:34:33.791000Z",
"spacegroup": 71
},
{
"id": "mp-1093764",
"created_at": "2022-09-04T14:42:40.914573Z",
"structure_string": "Ba2 Zn1 Sn1\n1.0\n-6.725295 6.829242 9.634198\n6.725295 -6.829242 9.634198\n6.725295 6.829242 -9.634198\nBa Zn Sn\n2 1 1\ndirect\n0.000000 0.264156 0.264156 Ba\n0.000000 0.735844 0.735844 Ba\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Sn\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ba-Sn-Zn",
"density": 0.4304151480104372,
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"volume": 1769.9434899600897,
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"formula_full": "Ba2 Zn1 Sn1",
"formula_reduced": "Ba2ZnSn",
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"energy": -4.79858491,
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"updated_at": "2021-11-28T01:35:49.355000Z",
"spacegroup": 71
},
{
"id": "mp-1215144",
"created_at": "2022-09-04T14:44:59.237077Z",
"structure_string": "As8 O24\n1.0\n-19.203354 -19.203354 -0.000000\n-19.203354 -0.000000 -19.203354\n0.000000 -19.203354 -19.203354\nAs O\n8 24\ndirect\n0.772589 0.772589 0.772589 As\n0.682233 0.772589 0.772589 As\n0.772589 0.682233 0.772589 As\n0.067767 0.977411 0.977411 As\n0.977411 0.977411 0.977411 As\n0.772589 0.772589 0.682233 As\n0.977411 0.067767 0.977411 As\n0.977411 0.977411 0.067767 As\n0.702384 0.702384 0.047586 O\n0.547646 0.047586 0.702384 O\n0.047586 0.547646 0.702384 O\n0.702384 0.047586 0.702384 O\n0.202354 0.047616 0.702414 O\n0.047616 0.047616 0.702414 O\n0.702384 0.702384 0.547646 O\n0.047586 0.702384 0.547646 O\n0.047616 0.702414 0.047616 O\n0.202354 0.702414 0.047616 O\n0.547646 0.702384 0.047586 O\n0.047616 0.202354 0.047616 O\n0.702414 0.202354 0.047616 O\n0.702384 0.547646 0.702384 O\n0.702414 0.047616 0.202354 O\n0.047616 0.047616 0.202354 O\n0.047586 0.702384 0.702384 O\n0.702384 0.047586 0.547646 O\n0.547646 0.702384 0.702384 O\n0.702384 0.547646 0.047586 O\n0.047616 0.702414 0.202354 O\n0.702414 0.047616 0.047616 O\n0.047616 0.202354 0.702414 O\n0.202354 0.047616 0.047616 O\n",
"nsites": 32,
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"elements": [
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"O"
],
"chemical_system": "As-O",
"density": 0.11529213193685449,
"density_atomic": 0.002259377080939495,
"volume": 14163.195807356666,
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"formula_full": "As8 O24",
"formula_reduced": "AsO3",
"formula_anonymous": "AB3",
"energy": -98.34876298,
"energy_per_atom": -3.073398843125,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.599000Z",
"spacegroup": 227
},
{
"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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"elements": [
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"Li",
"Hg"
],
"chemical_system": "Hg-Li-Sr",
"density": 0.3585409751414802,
"density_atomic": 0.002256371795434683,
"volume": 1772.757489742249,
"volume_molar": 266.89487841430196,
"formula_full": "Sr2 Li1 Hg1",
"formula_reduced": "Sr2LiHg",
"formula_anonymous": "ABC2",
"energy": -1.81841803,
"energy_per_atom": -0.4546045075,
"energy_above_hull": null,
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"band_gap": 0.0,
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"total_magnetization": 0.0031251,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:31.663000Z",
"spacegroup": 71
},
{
"id": "mp-1097330",
"created_at": "2022-09-04T14:47:20.571978Z",
"structure_string": "Sr1 Tl2 In1\n1.0\n-6.577767 6.721689 10.026176\n6.577767 -6.721689 10.026176\n6.577767 6.721689 -10.026176\nSr Tl In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.273763 0.273763 Tl\n0.000000 0.726237 0.726237 Tl\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
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],
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"density": 0.5723787422742197,
"density_atomic": 0.002255837312218072,
"volume": 1773.1775152113983,
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"formula_full": "Sr1 Tl2 In1",
"formula_reduced": "SrTl2In",
"formula_anonymous": "ABC2",
"energy": -4.87765456,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:02.851000Z",
"spacegroup": 71
},
{
"id": "mp-1096502",
"created_at": "2022-09-04T14:42:05.326170Z",
"structure_string": "Ba2 Hg1 Sb1\n1.0\n-6.800591 6.867817 9.496631\n6.800591 -6.867817 9.496631\n6.800591 6.867817 -9.496631\nBa Hg Sb\n2 1 1\ndirect\n0.224088 0.000000 0.224088 Ba\n0.775912 0.000000 0.775912 Ba\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
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"Sb"
],
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"density": 0.5587678536721203,
"density_atomic": 0.002254576966411921,
"volume": 1774.1687507638553,
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"formula_full": "Ba2 Hg1 Sb1",
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"energy": -6.4025225,
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"updated_at": "2021-11-28T01:35:32.285000Z",
"spacegroup": 71
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{
"id": "mp-1093935",
"created_at": "2022-09-04T14:41:19.900384Z",
"structure_string": "Sr2 Tl1 Ga1\n1.0\n-6.441521 7.022453 9.867292\n6.441521 -7.022453 9.867292\n6.441521 7.022453 -9.867292\nSr Tl Ga\n2 1 1\ndirect\n0.000000 0.238828 0.238828 Sr\n0.000000 0.761172 0.761172 Sr\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
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"density": 0.41792180171955423,
"density_atomic": 0.002240395808308836,
"volume": 1785.398805499195,
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"formula_full": "Sr2 Tl1 Ga1",
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"updated_at": "2021-11-28T01:35:18.415000Z",
"spacegroup": 71
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{
"id": "mp-1096694",
"created_at": "2022-09-04T14:46:54.279690Z",
"structure_string": "Sr2 Tl1 Hg1\n1.0\n-6.738291 6.865182 9.662687\n6.738291 -6.865182 9.662687\n6.738291 6.865182 -9.662687\nSr Tl Hg\n2 1 1\ndirect\n0.000000 0.260697 0.260697 Sr\n0.000000 0.739303 0.739303 Sr\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n",
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"volume": 1787.967913521506,
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"formula_full": "Sr2 Tl1 Hg1",
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"formula_anonymous": "ABC2",
"energy": -2.36074623,
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"updated_at": "2021-11-28T01:37:44.577000Z",
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},
{
"id": "mp-1096010",
"created_at": "2022-09-04T14:46:41.251232Z",
"structure_string": "Cs2 I1 Br1\n1.0\n-6.743196 6.946807 9.545157\n6.743196 -6.946807 9.545157\n6.743196 6.946807 -9.545157\nCs I Br\n2 1 1\ndirect\n0.758990 0.000000 0.758990 Cs\n0.241010 0.000000 0.241010 Cs\n0.500000 0.000000 0.500000 I\n0.000000 0.000000 0.000000 Br\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Br-Cs-I",
"density": 0.4387999142202584,
"density_atomic": 0.002236484576226247,
"volume": 1788.521165099845,
"volume_molar": 269.2681552117616,
"formula_full": "Cs2 I1 Br1",
"formula_reduced": "Cs2IBr",
"formula_anonymous": "ABC2",
"energy": -10.9574046,
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"energy_above_hull": null,
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"energy_uncorrected": -10.0444046,
"band_gap": 3.714,
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"updated_at": "2021-11-28T01:37:48.284000Z",
"spacegroup": 71
},
{
"id": "mp-1096691",
"created_at": "2022-09-04T14:40:35.164309Z",
"structure_string": "Sr2 Tl1 Pb1\n1.0\n-6.598010 6.922155 9.791845\n6.598010 -6.922155 9.791845\n6.598010 6.922155 -9.791845\nSr Tl Pb\n2 1 1\ndirect\n0.000000 0.251413 0.251413 Sr\n0.000000 0.748587 0.748587 Sr\n0.000000 0.000000 0.000000 Tl\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"density": 0.5447254120781533,
"density_atomic": 0.0022360483015703594,
"volume": 1788.8701228818854,
"volume_molar": 269.32069203383026,
"formula_full": "Sr2 Tl1 Pb1",
"formula_reduced": "Sr2TlPb",
"formula_anonymous": "ABC2",
"energy": -4.89380767,
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"energy_above_hull": null,
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"energy_uncorrected": -4.89380767,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:03.422000Z",
"spacegroup": 71
}
]
}