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{
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{
"id": "mp-551470",
"created_at": "2022-09-04T14:39:57.834486Z",
"structure_string": "Tl4 O2\n1.0\n1.817634 3.137099 0.000000\n-1.817634 3.137099 0.000000\n0.000000 2.063424 13.009300\nTl O\n4 2\ndirect\n0.126219 0.126219 0.635330 Tl\n0.284176 0.284176 0.132802 Tl\n0.873781 0.873781 0.364670 Tl\n0.715824 0.715824 0.867198 Tl\n0.576474 0.576474 0.248993 O\n0.423526 0.423526 0.751007 O\n",
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{
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"structure_string": "Rb2 Ag2 F6\n1.0\n-3.155622 3.155622 4.387804\n3.155622 -3.155622 4.387804\n3.155622 3.155622 -4.387804\nRb Ag F\n2 2 6\ndirect\n0.250000 0.250000 0.000000 Rb\n0.750000 0.750000 0.000000 Rb\n0.500000 0.000000 0.500000 Ag\n0.000000 0.500000 0.500000 Ag\n0.257349 0.757349 0.014699 F\n0.757349 0.742651 0.500000 F\n0.242651 0.257349 0.500000 F\n0.742651 0.242651 0.985301 F\n0.750000 0.250000 0.500000 F\n0.250000 0.750000 0.500000 F\n",
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"volume": 174.77413499826577,
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"formula_full": "Rb2 Ag2 F6",
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"updated_at": "2021-11-28T01:36:49.539000Z",
"spacegroup": 140
},
{
"id": "mp-865968",
"created_at": "2022-09-04T14:44:55.150309Z",
"structure_string": "Ce1 Al1 Ag2\n1.0\n0.000000 3.498549 3.498549\n3.498549 0.000000 3.498549\n3.498549 3.498549 0.000000\nCe Al Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Al\n0.750000 0.750000 0.750000 Ag\n0.250000 0.250000 0.250000 Ag\n",
"nsites": 4,
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],
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"density": 7.4227639599696165,
"density_atomic": 0.046705294284104755,
"volume": 85.64339570731113,
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"formula_full": "Ce1 Al1 Ag2",
"formula_reduced": "CeAlAg2",
"formula_anonymous": "ABC2",
"energy": -16.16650461,
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"updated_at": "2021-11-28T01:36:47.822000Z",
"spacegroup": 225
},
{
"id": "mp-684525",
"created_at": "2022-09-04T14:47:05.978501Z",
"structure_string": "Cu8 Se4\n1.0\n2.102177 3.648835 0.000000\n-2.102177 3.648835 0.000000\n0.000000 2.705299 13.372368\nCu Se\n8 4\ndirect\n0.684807 0.684807 0.946159 Cu\n0.447851 0.447851 0.688809 Cu\n0.198300 0.198300 0.432386 Cu\n0.175829 0.175829 0.837525 Cu\n0.950203 0.950203 0.184935 Cu\n0.927383 0.927383 0.584398 Cu\n0.624110 0.624110 0.128554 Cu\n0.666478 0.666478 0.330752 Cu\n0.987571 0.987571 0.002460 Se\n0.733496 0.733496 0.748695 Se\n0.479762 0.479762 0.497256 Se\n0.249085 0.249085 0.243046 Se\n",
"nsites": 12,
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"elements": [
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"chemical_system": "Cu-Se",
"density": 6.671509404714928,
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"volume": 205.14541762273566,
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"formula_full": "Cu8 Se4",
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"spacegroup": 8
},
{
"id": "mp-725591",
"created_at": "2022-09-04T14:48:23.057925Z",
"structure_string": "Pt2 N4 Cl8\n1.0\n4.223651 3.592693 0.000000\n-4.223651 3.592693 0.000000\n0.000000 2.733161 13.028651\nPt N Cl\n2 4 8\ndirect\n0.205288 0.794712 0.250000 Pt\n0.794712 0.205288 0.750000 Pt\n0.097532 0.486678 0.347146 N\n0.513322 0.902468 0.152854 N\n0.902468 0.513322 0.652854 N\n0.486678 0.097532 0.847146 N\n0.387564 0.980808 0.376547 Cl\n0.019192 0.612436 0.123453 Cl\n0.612436 0.019192 0.623453 Cl\n0.980808 0.387564 0.876547 Cl\n0.828164 0.571986 0.389163 Cl\n0.428014 0.171836 0.110837 Cl\n0.171836 0.428014 0.610837 Cl\n0.571986 0.828164 0.889163 Cl\n",
"nsites": 14,
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"elements": [
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],
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"density": 3.0649723748614415,
"density_atomic": 0.035407108041924845,
"volume": 395.40083260747764,
"volume_molar": 17.00828193273877,
"formula_full": "Pt2 N4 Cl8",
"formula_reduced": "Pt(NCl2)2",
"formula_anonymous": "AB2C4",
"energy": -56.58930641,
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"updated_at": "2021-11-28T01:39:36.853000Z",
"spacegroup": 15
},
{
"id": "mp-1187081",
"created_at": "2022-09-04T14:48:18.681945Z",
"structure_string": "Si1 Sn3\n1.0\n4.889904 0.000000 0.000000\n-2.072728 4.553863 0.000000\n-1.812027 -1.859236 4.537675\nSi Sn\n1 3\ndirect\n0.000000 0.500000 0.000000 Si\n0.506749 0.752962 0.772589 Sn\n0.493251 0.247038 0.227411 Sn\n0.000000 0.000000 0.500000 Sn\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Si-Sn",
"density": 6.314083156213393,
"density_atomic": 0.03958642746084164,
"volume": 101.04473317165954,
"volume_molar": 15.212640155409376,
"formula_full": "Si1 Sn3",
"formula_reduced": "SiSn3",
"formula_anonymous": "AB3",
"energy": -16.1683988,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:48.946000Z",
"spacegroup": 2
},
{
"id": "mp-9322",
"created_at": "2022-09-04T14:42:21.440425Z",
"structure_string": "Rb4 Sn4 Se10\n1.0\n4.398760 5.900175 0.000000\n-4.398760 5.900175 0.000000\n0.000000 3.828210 11.657749\nRb Sn Se\n4 4 10\ndirect\n0.591859 0.941565 0.820450 Rb\n0.058435 0.408141 0.679550 Rb\n0.408141 0.058435 0.179550 Rb\n0.941565 0.591859 0.320450 Rb\n0.745353 0.448490 0.056182 Sn\n0.551510 0.254647 0.443818 Sn\n0.254647 0.551510 0.943818 Sn\n0.448490 0.745353 0.556182 Sn\n0.801653 0.198347 0.250000 Se\n0.198347 0.801653 0.750000 Se\n0.642629 0.375640 0.885047 Se\n0.624360 0.357371 0.614953 Se\n0.357371 0.624360 0.114953 Se\n0.375640 0.642629 0.385047 Se\n0.871402 0.751474 0.030985 Se\n0.248526 0.128598 0.469015 Se\n0.751474 0.871402 0.530985 Se\n0.128598 0.248526 0.969015 Se\n",
"nsites": 18,
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"elements": [
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"Sn",
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],
"chemical_system": "Rb-Se-Sn",
"density": 4.407973030252109,
"density_atomic": 0.029746279123586922,
"volume": 605.117699770629,
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"formula_full": "Rb4 Sn4 Se10",
"formula_reduced": "Rb2Sn2Se5",
"formula_anonymous": "A2B2C5",
"energy": -72.75797177,
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"updated_at": "2021-11-28T01:35:42.104000Z",
"spacegroup": 15
},
{
"id": "mp-705439",
"created_at": "2022-09-04T14:39:31.203799Z",
"structure_string": "Cu1 O2\n1.0\n2.421291 0.000000 0.000000\n0.000000 6.445952 0.000000\n0.000000 0.000000 7.067043\nCu O\n1 2\ndirect\n0.000000 0.500000 0.000000 Cu\n0.000000 0.500000 0.412435 O\n0.000000 0.500000 0.587565 O\n",
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"density": 1.438415533474034,
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"volume": 110.2990542846134,
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"formula_full": "Cu1 O2",
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"updated_at": "2021-11-28T01:34:28.695000Z",
"spacegroup": 47
},
{
"id": "mp-1114104",
"created_at": "2022-09-04T14:47:58.214465Z",
"structure_string": "Rb3 Y1 Br6\n1.0\n0.000000 6.055955 6.055955\n6.055955 0.000000 6.055955\n6.055955 6.055955 0.000000\nRb Y Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Y\n0.769299 0.230701 0.230701 Br\n0.230701 0.230701 0.769299 Br\n0.230701 0.769299 0.769299 Br\n0.230701 0.769299 0.230701 Br\n0.769299 0.230701 0.769299 Br\n0.769299 0.769299 0.230701 Br\n",
"nsites": 10,
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"volume": 444.19934501886024,
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"formula_full": "Rb3 Y1 Br6",
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"formula_anonymous": "AB3C6",
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"updated_at": "2021-11-28T01:38:29.039000Z",
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{
"id": "mp-978494",
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"structure_string": "Si1 Sn3\n1.0\n4.649622 0.000000 0.000000\n0.000000 4.649622 0.000000\n0.000000 0.000000 4.649622\nSi Sn\n1 3\ndirect\n0.000000 0.000000 0.000000 Si\n0.000000 0.500000 0.500000 Sn\n0.500000 0.000000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n",
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},
{
"id": "mp-568439",
"created_at": "2022-09-04T14:45:18.553250Z",
"structure_string": "K1 Na1 B2 H8\n1.0\n7.534228 -2.278746 0.000000\n7.534228 2.278746 0.000000\n6.845016 0.000000 3.886263\nK Na B H\n1 1 2 8\ndirect\n0.352514 0.352514 0.352514 K\n0.856466 0.856466 0.856466 Na\n0.592127 0.592127 0.592127 B\n0.103746 0.103746 0.103746 B\n0.857194 0.365576 0.141518 H\n0.537082 0.537082 0.537082 H\n0.141518 0.857194 0.365576 H\n0.318040 0.756364 0.758380 H\n0.365576 0.141518 0.857194 H\n0.048373 0.048373 0.048373 H\n0.758380 0.318040 0.756364 H\n0.756364 0.758380 0.318040 H\n",
"nsites": 12,
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"elements": [
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"H"
],
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"density_atomic": 0.08992581542874267,
"volume": 133.44332706672884,
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"formula_full": "K1 Na1 B2 H8",
"formula_reduced": "KNa(BH4)2",
"formula_anonymous": "ABC2D8",
"energy": -48.50766383999999,
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"updated_at": "2021-11-28T01:37:03.113000Z",
"spacegroup": 146
},
{
"id": "mp-1096424",
"created_at": "2022-09-04T14:40:04.185353Z",
"structure_string": "Zr2 Cu1 Pt1\n1.0\n-5.090154 5.413318 8.070301\n5.090154 -5.413318 8.070301\n5.090154 5.413318 -8.070301\nZr Cu Pt\n2 1 1\ndirect\n0.000000 0.261869 0.261869 Zr\n0.000000 0.738131 0.738131 Zr\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Pt\n",
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"volume": 889.4963826721905,
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"updated_at": "2021-11-28T01:34:50.074000Z",
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}
]
}