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{
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"results": [
{
"id": "mp-1219037",
"created_at": "2022-09-04T14:42:20.416663Z",
"structure_string": "Sm2 Ga2 Co2\n1.0\n2.078606 5.036872 0.000000\n-2.078606 5.036872 0.000000\n0.000000 4.453431 5.440587\nSm Ga Co\n2 2 2\ndirect\n0.437915 0.437915 0.810478 Sm\n0.562085 0.562085 0.189522 Sm\n0.814167 0.814167 0.597677 Ga\n0.185833 0.185833 0.402323 Ga\n0.138766 0.138766 0.811170 Co\n0.861234 0.861234 0.188830 Co\n",
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{
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"created_at": "2022-09-04T14:45:22.334502Z",
"structure_string": "Cs2 Ga1 Ag1 Cl6\n1.0\n0.000000 5.216901 5.216901\n5.216901 0.000000 5.216901\n5.216901 5.216901 0.000000\nCs Ga Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ag\n0.767303 0.232697 0.232697 Cl\n0.232697 0.232697 0.767303 Cl\n0.232697 0.767303 0.767303 Cl\n0.232697 0.767303 0.232697 Cl\n0.767303 0.232697 0.767303 Cl\n0.767303 0.767303 0.232697 Cl\n",
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"volume": 283.96693998192296,
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"formula_full": "Cs2 Ga1 Ag1 Cl6",
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"spacegroup": 225
},
{
"id": "mp-1205763",
"created_at": "2022-09-04T14:42:19.978800Z",
"structure_string": "Dy3 Mg3 Ga3\n1.0\n3.653660 -6.328326 0.000000\n3.653660 6.328326 0.000000\n0.000000 0.000000 4.415753\nDy Mg Ga\n3 3 3\ndirect\n0.579151 0.000000 0.000000 Dy\n0.000000 0.579151 0.000000 Dy\n0.420849 0.420849 0.000000 Dy\n0.245131 0.000000 0.500000 Mg\n0.000000 0.245131 0.500000 Mg\n0.754869 0.754869 0.500000 Mg\n0.333333 0.666667 0.500000 Ga\n0.666667 0.333333 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 9,
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"chemical_system": "Dy-Ga-Mg",
"density": 6.258256873130817,
"density_atomic": 0.044074842296266424,
"volume": 204.19812144767195,
"volume_molar": 13.663442558727283,
"formula_full": "Dy3 Mg3 Ga3",
"formula_reduced": "DyMgGa",
"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:35:45.800000Z",
"spacegroup": 189
},
{
"id": "mp-1187352",
"created_at": "2022-09-04T14:44:29.545395Z",
"structure_string": "Tb1 Ni1 O3\n1.0\n3.738698 0.000000 0.000000\n0.000000 3.738698 0.000000\n0.000000 0.000000 3.738698\nTb Ni O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"density": 8.440024863236033,
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"volume": 52.25900745238172,
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"formula_full": "Tb1 Ni1 O3",
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"formula_anonymous": "ABC3",
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"updated_at": "2021-11-28T01:36:36.346000Z",
"spacegroup": 221
},
{
"id": "mp-862798",
"created_at": "2022-09-04T14:41:58.264865Z",
"structure_string": "Pt3 W1\n1.0\n-1.964433 1.964433 4.036021\n1.964433 -1.964433 4.036021\n1.964433 1.964433 -4.036021\nPt W\n3 1\ndirect\n0.750000 0.250000 0.500000 Pt\n0.250000 0.750000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.000000 0.000000 0.000000 W\n",
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"density": 20.499324039347954,
"density_atomic": 0.06420548641383178,
"volume": 62.29997190922738,
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"formula_full": "Pt3 W1",
"formula_reduced": "Pt3W",
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"updated_at": "2021-11-28T01:35:29.475000Z",
"spacegroup": 139
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{
"id": "mp-570303",
"created_at": "2022-09-04T14:42:17.268821Z",
"structure_string": "K2 Tm2 I6\n1.0\n2.142391 -7.825782 0.000000\n2.142391 7.825782 0.000000\n0.000000 0.000000 11.538987\nK Tm I\n2 2 6\ndirect\n0.751061 0.248939 0.750000 K\n0.248939 0.751061 0.250000 K\n0.000000 0.000000 0.000000 Tm\n0.000000 0.000000 0.500000 Tm\n0.633745 0.366255 0.446044 I\n0.633745 0.366255 0.053956 I\n0.366255 0.633745 0.553956 I\n0.366255 0.633745 0.946044 I\n0.066488 0.933512 0.750000 I\n0.933512 0.066488 0.250000 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Tm",
"I"
],
"chemical_system": "I-K-Tm",
"density": 5.053390305992179,
"density_atomic": 0.025844958508095563,
"volume": 386.92265638064936,
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"formula_full": "K2 Tm2 I6",
"formula_reduced": "KTmI3",
"formula_anonymous": "ABC3",
"energy": -34.40558615,
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"updated_at": "2021-11-28T01:35:47.354000Z",
"spacegroup": 63
},
{
"id": "mp-574199",
"created_at": "2022-09-04T14:42:03.329423Z",
"structure_string": "Sm1 Ni2 P2\n1.0\n-1.959352 1.959352 4.738230\n1.959352 -1.959352 4.738230\n1.959352 1.959352 -4.738230\nSm Ni P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n0.374489 0.374489 0.000000 P\n0.625511 0.625511 0.000000 P\n",
"nsites": 5,
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"Ni",
"P"
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"density": 7.5241857651421595,
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"volume": 72.76140198113971,
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"formula_full": "Sm1 Ni2 P2",
"formula_reduced": "Sm(NiP)2",
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"energy": -32.13048709,
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"updated_at": "2021-11-28T01:35:32.082000Z",
"spacegroup": 139
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{
"id": "mp-983358",
"created_at": "2022-09-04T14:46:23.619544Z",
"structure_string": "Hf1 Al1 Fe2\n1.0\n0.000000 3.012911 3.012911\n3.012911 0.000000 3.012911\n3.012911 3.012911 0.000000\nHf Al Fe\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Al\n0.750000 0.750000 0.750000 Fe\n0.250000 0.250000 0.250000 Fe\n",
"nsites": 4,
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"elements": [
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"Al",
"Fe"
],
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"density": 9.628102582268875,
"density_atomic": 0.07312587683629042,
"volume": 54.70019879494843,
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"formula_full": "Hf1 Al1 Fe2",
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"energy": -32.13036272,
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"updated_at": "2021-11-28T01:37:33.919000Z",
"spacegroup": 225
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{
"id": "mp-998603",
"created_at": "2022-09-04T14:42:17.775726Z",
"structure_string": "Rb2 Pb2 Br6\n1.0\n2.258004 -7.534092 0.000000\n2.258004 7.534092 0.000000\n0.000000 0.000000 11.342923\nRb Pb Br\n2 2 6\ndirect\n0.745659 0.254341 0.750000 Rb\n0.254341 0.745659 0.250000 Rb\n0.000000 0.000000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.633206 0.366794 0.444759 Br\n0.366794 0.633206 0.944759 Br\n0.633206 0.366794 0.055241 Br\n0.366794 0.633206 0.555241 Br\n0.071701 0.928299 0.750000 Br\n0.928299 0.071701 0.250000 Br\n",
"nsites": 10,
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"density_atomic": 0.02591131143951461,
"volume": 385.93183611502013,
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"formula_full": "Rb2 Pb2 Br6",
"formula_reduced": "RbPbBr3",
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"energy": -35.33220957,
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{
"id": "mp-13203",
"created_at": "2022-09-04T14:46:28.077696Z",
"structure_string": "Sc2 Cu2 Sn2\n1.0\n2.208731 -3.825634 0.000000\n2.208731 3.825634 0.000000\n0.000000 0.000000 6.869537\nSc Cu Sn\n2 2 2\ndirect\n0.000000 0.000000 0.998149 Sc\n0.000000 0.000000 0.498149 Sc\n0.333333 0.666667 0.827838 Cu\n0.666667 0.333333 0.327838 Cu\n0.333333 0.666667 0.229623 Sn\n0.666667 0.333333 0.729623 Sn\n",
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{
"id": "mp-1120725",
"created_at": "2022-09-04T14:46:00.244099Z",
"structure_string": "Cs2 Pb2 Br6\n1.0\n5.958140 -5.972599 0.000000\n5.958140 5.972599 0.000000\n0.000000 0.000000 6.028344\nCs Pb Br\n2 2 6\ndirect\n0.501097 0.498903 0.500000 Cs\n0.000223 0.999777 0.500000 Cs\n0.995876 0.504686 0.000000 Pb\n0.495314 0.004124 0.000000 Pb\n0.201150 0.212702 0.000000 Br\n0.473288 0.026384 0.500000 Br\n0.973616 0.526712 0.500000 Br\n0.292620 0.707380 0.000000 Br\n0.707518 0.292482 0.000000 Br\n0.787298 0.798850 0.000000 Br\n",
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"volume": 429.0442474863802,
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"formula_full": "Cs2 Pb2 Br6",
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{
"id": "mp-973652",
"created_at": "2022-09-04T14:43:08.136939Z",
"structure_string": "Lu1 Ru3\n1.0\n4.011856 0.000000 0.000000\n0.000000 4.011856 0.000000\n0.000000 0.000000 4.011856\nLu Ru\n1 3\ndirect\n0.000000 0.000000 0.000000 Lu\n0.000000 0.500000 0.500000 Ru\n0.500000 0.000000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n",
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"volume": 64.5707764433675,
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"formula_full": "Lu1 Ru3",
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"updated_at": "2021-11-28T01:36:02.955000Z",
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}
]
}