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{
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"results": [
{
"id": "mp-1022713",
"created_at": "2022-09-04T14:43:35.989315Z",
"structure_string": "Y1 Mg6 C1\n1.0\n3.110248 -6.581557 0.000000\n3.110248 6.581557 0.000000\n0.000000 0.000000 4.743063\nY Mg C\n1 6 1\ndirect\n0.730723 0.269277 0.500000 Y\n0.202640 0.302469 0.500000 Mg\n0.697531 0.797360 0.500000 Mg\n0.160307 0.839693 0.500000 Mg\n0.348669 0.168599 0.000000 Mg\n0.831401 0.651331 0.000000 Mg\n0.322492 0.677508 0.000000 Mg\n0.706236 0.293764 0.000000 C\n",
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{
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"volume": 234.42233182822991,
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"formula_full": "Mg8 Si4",
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"updated_at": "2021-11-28T01:35:51.396000Z",
"spacegroup": 2
},
{
"id": "mp-15687",
"created_at": "2022-09-04T14:44:43.737141Z",
"structure_string": "K1 Zn1 As1\n1.0\n2.130580 -3.690272 0.000000\n2.130580 3.690272 0.000000\n0.000000 0.000000 5.259527\nK Zn As\n1 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.333333 0.666667 0.500000 Zn\n0.666667 0.333333 0.500000 As\n",
"nsites": 3,
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"density": 3.6025381087044623,
"density_atomic": 0.03627340677791556,
"volume": 82.70521758178221,
"volume_molar": 16.60208206213064,
"formula_full": "K1 Zn1 As1",
"formula_reduced": "KZnAs",
"formula_anonymous": "ABC",
"energy": -8.43397655,
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"updated_at": "2021-11-28T01:36:42.655000Z",
"spacegroup": 187
},
{
"id": "mp-1112900",
"created_at": "2022-09-04T14:39:16.549153Z",
"structure_string": "Cs2 Tl1 Hg1 Br6\n1.0\n0.000000 5.769247 5.769247\n5.769247 0.000000 5.769247\n5.769247 5.769247 0.000000\nCs Tl Hg Br\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 Tl\n0.500000 0.500000 0.500000 Hg\n0.745695 0.254305 0.254305 Br\n0.254305 0.254305 0.745695 Br\n0.254305 0.745695 0.745695 Br\n0.254305 0.745695 0.254305 Br\n0.745695 0.254305 0.745695 Br\n0.745695 0.745695 0.254305 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Tl",
"Hg",
"Br"
],
"chemical_system": "Br-Cs-Hg-Tl",
"density": 4.97322563915858,
"density_atomic": 0.02603829875465876,
"volume": 384.0496683067977,
"volume_molar": 23.128011613748466,
"formula_full": "Cs2 Tl1 Hg1 Br6",
"formula_reduced": "Cs2TlHgBr6",
"formula_anonymous": "ABC2D6",
"energy": -28.11207118,
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"updated_at": "2021-11-28T01:34:35.191000Z",
"spacegroup": 225
},
{
"id": "mp-31173",
"created_at": "2022-09-04T14:39:17.980574Z",
"structure_string": "Ce1 Cd2 Ag1\n1.0\n0.000000 3.621896 3.621896\n3.621896 0.000000 3.621896\n3.621896 3.621896 0.000000\nCe Cd Ag\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ce\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 Cd\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
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"elements": [
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"Cd",
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"density": 8.262174012056702,
"density_atomic": 0.042094181422675084,
"volume": 95.02500974743506,
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"formula_full": "Ce1 Cd2 Ag1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:39.863000Z",
"spacegroup": 225
},
{
"id": "mp-570946",
"created_at": "2022-09-04T14:39:08.013422Z",
"structure_string": "Na4 Li10 Sn8\n1.0\n24.266696 -2.487791 0.000000\n24.266696 2.487791 0.000000\n24.011651 0.000000 4.301426\nNa Li Sn\n4 10 8\ndirect\n0.242295 0.242295 0.242295 Na\n0.047235 0.047235 0.047235 Na\n0.952765 0.952765 0.952765 Na\n0.757705 0.757705 0.757705 Na\n0.520798 0.520798 0.520798 Li\n0.322502 0.322502 0.322502 Li\n0.200188 0.200188 0.200188 Li\n0.283711 0.283711 0.283711 Li\n0.677498 0.677498 0.677498 Li\n0.558724 0.558724 0.558724 Li\n0.799812 0.799812 0.799812 Li\n0.479202 0.479202 0.479202 Li\n0.441276 0.441276 0.441276 Li\n0.716289 0.716289 0.716289 Li\n0.361917 0.361917 0.361917 Sn\n0.839984 0.839984 0.839984 Sn\n0.638083 0.638083 0.638083 Sn\n0.880102 0.880102 0.880102 Sn\n0.400835 0.400835 0.400835 Sn\n0.119898 0.119898 0.119898 Sn\n0.160016 0.160016 0.160016 Sn\n0.599165 0.599165 0.599165 Sn\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Na",
"Li",
"Sn"
],
"chemical_system": "Li-Na-Sn",
"density": 3.5523467144241976,
"density_atomic": 0.042359974243397366,
"volume": 519.3582005878848,
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"formula_full": "Na4 Li10 Sn8",
"formula_reduced": "Na2Li5Sn4",
"formula_anonymous": "A2B4C5",
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"updated_at": "2021-11-28T01:34:44.189000Z",
"spacegroup": 166
},
{
"id": "mp-1183626",
"created_at": "2022-09-04T14:46:52.797469Z",
"structure_string": "Cd3 Ir1\n1.0\n4.216704 0.000000 0.000000\n0.000000 4.216704 0.000000\n0.000000 0.000000 4.216704\nCd Ir\n3 1\ndirect\n0.000000 0.500000 0.500000 Cd\n0.500000 0.000000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
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"density_atomic": 0.0533507640676738,
"volume": 74.97549603837207,
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"formula_full": "Cd3 Ir1",
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"updated_at": "2021-11-28T01:37:35.559000Z",
"spacegroup": 221
},
{
"id": "mp-1183643",
"created_at": "2022-09-04T14:40:56.961330Z",
"structure_string": "Cd1 Au3\n1.0\n-2.080267 2.080267 4.322384\n2.080267 -2.080267 4.322384\n2.080267 2.080267 -4.322384\nCd Au\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750000 0.250000 0.500000 Au\n0.250000 0.750000 0.500000 Au\n0.500000 0.500000 0.000000 Au\n",
"nsites": 4,
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"elements": [
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],
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"density": 15.608990946797828,
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"volume": 74.82065361637964,
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"formula_full": "Cd1 Au3",
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"updated_at": "2021-11-28T01:35:00.258000Z",
"spacegroup": 139
},
{
"id": "mp-1095697",
"created_at": "2022-09-04T14:40:05.797419Z",
"structure_string": "La4 Mg8\n1.0\n3.139552 -5.437864 0.000000\n3.139552 5.437864 0.000000\n0.000000 0.000000 9.875308\nLa Mg\n4 8\ndirect\n0.333333 0.666667 0.418828 La\n0.666667 0.333333 0.581172 La\n0.666667 0.333333 0.918828 La\n0.333333 0.666667 0.081172 La\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.830444 0.169556 0.250000 Mg\n0.830444 0.660887 0.250000 Mg\n0.339113 0.169556 0.250000 Mg\n0.169556 0.830444 0.750000 Mg\n0.169556 0.339113 0.750000 Mg\n0.660887 0.830444 0.750000 Mg\n",
"nsites": 12,
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{
"id": "mp-1096127",
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"structure_string": "Y2 Cu1 Ag1\n1.0\n-5.509953 6.507968 8.812294\n5.509953 -6.507968 8.812294\n5.509953 6.507968 -8.812294\nY Cu Ag\n2 1 1\ndirect\n0.000000 0.231525 0.231525 Y\n0.000000 0.768475 0.768475 Y\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Ag\n",
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"formula_full": "Y2 Cu1 Ag1",
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{
"id": "mp-1185991",
"created_at": "2022-09-04T14:43:23.302276Z",
"structure_string": "Mn1 Cd3\n1.0\n4.297046 0.000000 0.000000\n0.000000 4.297046 0.000000\n0.000000 0.000000 4.297046\nMn Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Cd\n0.500000 0.000000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n",
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"volume": 79.34325416111945,
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"formula_full": "Mn1 Cd3",
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"updated_at": "2021-11-28T01:36:18.759000Z",
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{
"id": "mp-1183645",
"created_at": "2022-09-04T14:47:18.632093Z",
"structure_string": "Cd3 Ir1\n1.0\n-2.060406 2.060406 4.408931\n2.060406 -2.060406 4.408931\n2.060406 2.060406 -4.408931\nCd Ir\n3 1\ndirect\n0.750000 0.250000 0.500000 Cd\n0.250000 0.750000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 Ir\n",
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}
]
}