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{
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"results": [
{
"id": "mp-1225743",
"created_at": "2022-09-04T14:43:59.837304Z",
"structure_string": "Cu6 Ge1 Sb1\n1.0\n-2.125908 -3.682320 0.000000\n-4.251817 0.000000 0.000000\n0.000000 0.000000 -7.572836\nCu Ge Sb\n6 1 1\ndirect\n0.000005 0.999998 0.750000 Cu\n0.000038 0.999981 0.250000 Cu\n0.333332 0.333334 0.073235 Cu\n0.666654 0.666673 0.908155 Cu\n0.666654 0.666673 0.591845 Cu\n0.333332 0.333334 0.426765 Cu\n0.333334 0.333333 0.750000 Ge\n0.666650 0.666675 0.250000 Sb\n",
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{
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"structure_string": "Rb8 Te4\n1.0\n5.623222 0.000000 0.000000\n0.000000 9.227487 0.000000\n0.000000 0.000000 11.097540\nRb Te\n8 4\ndirect\n0.750000 0.474318 0.329146 Rb\n0.250000 0.525682 0.670854 Rb\n0.750000 0.974318 0.170854 Rb\n0.250000 0.025682 0.829146 Rb\n0.750000 0.353691 0.927975 Rb\n0.250000 0.646309 0.072025 Rb\n0.750000 0.853691 0.572025 Rb\n0.250000 0.146309 0.427975 Rb\n0.750000 0.250617 0.614725 Te\n0.250000 0.749383 0.385275 Te\n0.750000 0.750617 0.885275 Te\n0.250000 0.249383 0.114725 Te\n",
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"volume": 575.8314627331238,
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"formula_full": "Rb8 Te4",
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"formula_anonymous": "AB2",
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"updated_at": "2021-11-28T01:34:59.723000Z",
"spacegroup": 62
},
{
"id": "mp-1026645",
"created_at": "2022-09-04T14:40:05.847326Z",
"structure_string": "Na1 Hf1 Mg14\n1.0\n6.439221 -0.036633 0.000000\n-3.251336 5.631478 0.000000\n0.000000 0.000000 10.295687\nNa Hf Mg\n1 1 14\ndirect\n0.169090 0.334544 0.125000 Na\n0.173564 0.836782 0.125000 Hf\n0.166548 0.333273 0.625000 Mg\n0.166385 0.833192 0.625000 Mg\n0.661737 0.335683 0.125000 Mg\n0.667407 0.333881 0.625000 Mg\n0.661737 0.826053 0.125000 Mg\n0.667407 0.833525 0.625000 Mg\n0.331878 0.160067 0.375080 Mg\n0.331878 0.160067 0.874920 Mg\n0.331878 0.671811 0.375080 Mg\n0.331878 0.671811 0.874920 Mg\n0.830243 0.165122 0.375560 Mg\n0.830243 0.165122 0.874440 Mg\n0.839065 0.669533 0.372797 Mg\n0.839065 0.669533 0.877203 Mg\n",
"nsites": 16,
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"elements": [
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],
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"density": 2.41749507282968,
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"volume": 372.11933390126745,
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"formula_full": "Na1 Hf1 Mg14",
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"formula_anonymous": "ABC14",
"energy": -32.15221196,
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"spacegroup": 38
},
{
"id": "mp-571409",
"created_at": "2022-09-04T14:41:57.651557Z",
"structure_string": "Cs2 Li3 Br5\n1.0\n2.211536 7.927756 0.000000\n-2.211536 7.927756 0.000000\n0.000000 4.330808 9.292507\nCs Li Br\n2 3 5\ndirect\n0.186816 0.186816 0.269953 Cs\n0.813184 0.813184 0.730047 Cs\n0.450835 0.450835 0.291781 Li\n0.549165 0.549165 0.708219 Li\n0.000000 0.000000 0.000000 Li\n0.596121 0.596121 0.062454 Br\n0.403879 0.403879 0.937546 Br\n0.131583 0.131583 0.706673 Br\n0.500000 0.500000 0.500000 Br\n0.868417 0.868417 0.293327 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Li",
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],
"chemical_system": "Br-Cs-Li",
"density": 3.4967409143121535,
"density_atomic": 0.03068971243608049,
"volume": 325.8420886421685,
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"formula_full": "Cs2 Li3 Br5",
"formula_reduced": "Cs2Li3Br5",
"formula_anonymous": "A2B3C5",
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"updated_at": "2021-11-28T01:35:32.184000Z",
"spacegroup": 12
},
{
"id": "mp-1223887",
"created_at": "2022-09-04T14:45:37.471716Z",
"structure_string": "In4 As3 P1\n1.0\n-3.077814 -3.077814 0.000000\n0.000000 0.000000 -6.073062\n6.174971 -6.174971 0.000000\nIn As P\n4 3 1\ndirect\n0.000000 0.004616 0.994402 In\n0.500000 0.501727 0.250000 In\n0.000000 0.004616 0.505598 In\n0.500000 0.490868 0.750000 In\n0.500000 0.749639 0.998191 As\n0.000000 0.248933 0.250000 As\n0.500000 0.749639 0.501809 As\n0.000000 0.249963 0.750000 P\n",
"nsites": 8,
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"elements": [
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"As",
"P"
],
"chemical_system": "As-In-P",
"density": 5.143355593936569,
"density_atomic": 0.0346557245694207,
"volume": 230.84209317207555,
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"formula_full": "In4 As3 P1",
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"formula_anonymous": "AB3C4",
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"updated_at": "2021-11-28T01:37:06.453000Z",
"spacegroup": 25
},
{
"id": "mp-1026670",
"created_at": "2022-09-04T14:39:58.551284Z",
"structure_string": "Na1 Mg14 Nb1\n1.0\n6.443884 0.000000 0.000000\n-3.221942 5.580567 -0.000000\n-0.000000 -0.000000 10.045018\nNa Mg Nb\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Na\n0.169581 0.834790 0.125000 Mg\n0.168433 0.834216 0.625000 Mg\n0.665210 0.330419 0.125000 Mg\n0.665784 0.331567 0.625000 Mg\n0.665210 0.834790 0.125000 Mg\n0.665784 0.834216 0.625000 Mg\n0.330383 0.169617 0.383170 Mg\n0.330383 0.169617 0.866830 Mg\n0.330383 0.660768 0.383170 Mg\n0.330383 0.660768 0.866830 Mg\n0.839232 0.169617 0.383170 Mg\n0.839232 0.169617 0.866830 Mg\n0.833333 0.666667 0.374999 Mg\n0.833333 0.666667 0.875001 Mg\n0.166667 0.333333 0.625000 Nb\n",
"nsites": 16,
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"elements": [
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"Nb"
],
"chemical_system": "Mg-Na-Nb",
"density": 2.0969853294554377,
"density_atomic": 0.04429382881630099,
"volume": 361.2241349998555,
"volume_molar": 13.595891167989826,
"formula_full": "Na1 Mg14 Nb1",
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"updated_at": "2021-11-28T01:34:50.260000Z",
"spacegroup": 187
},
{
"id": "mp-22534",
"created_at": "2022-09-04T14:46:28.496345Z",
"structure_string": "Sr1 Ru1 O3\n1.0\n3.667213 0.000000 0.000000\n0.000000 3.667213 0.000000\n0.000000 0.000000 6.633684\nSr Ru O\n1 1 3\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Ru\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 5,
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"Ru",
"O"
],
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"density": 4.405534976894925,
"density_atomic": 0.05604578462959508,
"volume": 89.21277546643073,
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"formula_full": "Sr1 Ru1 O3",
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"formula_anonymous": "ABC3",
"energy": -34.21007595,
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"updated_at": "2021-11-28T01:37:36.690000Z",
"spacegroup": 123
},
{
"id": "mp-865165",
"created_at": "2022-09-04T14:45:24.308329Z",
"structure_string": "Hf1 Sc1 Co2\n1.0\n0.000000 3.145187 3.145187\n3.145187 0.000000 3.145187\n3.145187 3.145187 0.000000\nHf Sc Co\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Sc\n0.750000 0.750000 0.750000 Co\n0.250000 0.250000 0.250000 Co\n",
"nsites": 4,
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"density": 9.10818048657586,
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"volume": 62.2256456399281,
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"formula_full": "Hf1 Sc1 Co2",
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"updated_at": "2021-11-28T01:37:02.239000Z",
"spacegroup": 225
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{
"id": "mp-1206023",
"created_at": "2022-09-04T14:46:30.472477Z",
"structure_string": "Zr2 H2 Br2\n1.0\n1.725488 -2.988632 0.000000\n1.725488 2.988632 0.000000\n0.000000 0.000000 10.228425\nZr H Br\n2 2 2\ndirect\n0.333333 0.666667 0.643992 Zr\n0.666667 0.333333 0.356008 Zr\n0.333333 0.666667 0.441630 H\n0.666667 0.333333 0.558370 H\n0.333333 0.666667 0.168813 Br\n0.666667 0.333333 0.831187 Br\n",
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{
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"created_at": "2022-09-04T14:46:19.285237Z",
"structure_string": "Ga2 Ni1 S4\n1.0\n1.824458 -3.160054 0.000000\n1.824458 3.160054 0.000000\n0.000000 0.000000 12.526856\nGa Ni S\n2 1 4\ndirect\n0.333333 0.666667 0.229605 Ga\n0.666667 0.333333 0.770395 Ga\n0.000000 0.000000 0.500000 Ni\n0.666667 0.333333 0.592769 S\n0.333333 0.666667 0.407231 S\n0.666667 0.333333 0.146018 S\n0.333333 0.666667 0.853982 S\n",
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"updated_at": "2021-11-28T01:37:27.633000Z",
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{
"id": "mp-1219647",
"created_at": "2022-09-04T14:43:33.566845Z",
"structure_string": "Rb2 Zn3 Ge1 As4\n1.0\n2.944913 -7.455449 0.000000\n2.944913 7.455449 0.000000\n0.000000 0.000000 5.882675\nRb Zn Ge As\n2 3 1 4\ndirect\n0.500000 0.000000 0.249078 Rb\n0.000000 0.500000 0.750922 Rb\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Ge\n0.654681 0.860230 0.757140 As\n0.139770 0.345319 0.242860 As\n0.860230 0.654681 0.242860 As\n0.345319 0.139770 0.757140 As\n",
"nsites": 10,
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],
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"volume": 258.31589120826214,
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"formula_full": "Rb2 Zn3 Ge1 As4",
"formula_reduced": "Rb2Zn3GeAs4",
"formula_anonymous": "AB2C3D4",
"energy": -32.14606712,
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},
{
"id": "mp-1077018",
"created_at": "2022-09-04T14:45:40.814382Z",
"structure_string": "Sm4 Sb2\n1.0\n-2.263539 2.263539 8.751689\n2.263539 -2.263539 8.751689\n2.263539 2.263539 -8.751689\nSm Sb\n4 2\ndirect\n0.000000 0.500000 0.500000 Sm\n0.500000 0.000000 0.500000 Sm\n0.821395 0.821395 0.000000 Sm\n0.178605 0.178605 0.000000 Sm\n0.638356 0.638356 0.000000 Sb\n0.361644 0.361644 0.000000 Sb\n",
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"volume": 179.36092325931838,
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"formula_full": "Sm4 Sb2",
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}
]
}