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{
"id": "mp-567290",
"created_at": "2022-09-04T14:47:57.248016Z",
"structure_string": "La2 N2\n1.0\n2.066432 -3.579166 0.000000\n2.066432 3.579166 0.000000\n0.000000 0.000000 5.960067\nLa N\n2 2\ndirect\n0.333333 0.666667 0.998741 La\n0.666667 0.333333 0.498741 La\n0.333333 0.666667 0.411259 N\n0.666667 0.333333 0.911259 N\n",
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{
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"structure_string": "Mg14 Nb1 Cd1\n1.0\n6.353772 0.002531 0.000000\n-3.174694 5.498731 0.000000\n0.000000 0.000000 10.037708\nMg Nb Cd\n14 1 1\ndirect\n0.166617 0.333308 0.625000 Mg\n0.167198 0.833598 0.625000 Mg\n0.665939 0.330194 0.125000 Mg\n0.666319 0.332662 0.625000 Mg\n0.665939 0.835744 0.125000 Mg\n0.666319 0.833655 0.625000 Mg\n0.328880 0.170537 0.368662 Mg\n0.328880 0.170537 0.881338 Mg\n0.328880 0.658344 0.368662 Mg\n0.328880 0.658344 0.881338 Mg\n0.842517 0.171259 0.370783 Mg\n0.842517 0.171259 0.879217 Mg\n0.834205 0.667103 0.372667 Mg\n0.834205 0.667103 0.877333 Mg\n0.164534 0.332266 0.125000 Nb\n0.168173 0.834086 0.125000 Cd\n",
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{
"id": "mp-570031",
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"structure_string": "Sr1 Cr2 As2\n1.0\n-2.052132 2.052132 6.130737\n2.052132 -2.052132 6.130737\n2.052132 2.052132 -6.130737\nSr Cr As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500000 Cr\n0.250000 0.750000 0.500000 Cr\n0.358447 0.358447 0.000000 As\n0.641553 0.641553 0.000000 As\n",
"nsites": 5,
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"density": 5.4903473389080455,
"density_atomic": 0.04841575870175397,
"volume": 103.27216043025396,
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"formula_full": "Sr1 Cr2 As2",
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"spacegroup": 139
},
{
"id": "mp-974769",
"created_at": "2022-09-04T14:42:43.680583Z",
"structure_string": "Eu1 Ni1 Ge3\n1.0\n-2.177879 2.177879 4.989814\n2.177879 -2.177879 4.989814\n2.177879 2.177879 -4.989814\nEu Ni Ge\n1 1 3\ndirect\n0.000840 0.000840 0.000000 Eu\n0.346678 0.346678 0.000000 Ni\n0.247820 0.747820 0.500000 Ge\n0.747820 0.247820 0.500000 Ge\n0.582342 0.582342 0.000000 Ge\n",
"nsites": 5,
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"density": 7.517380277662549,
"density_atomic": 0.052815106669386144,
"volume": 94.669883586512,
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"formula_full": "Eu1 Ni1 Ge3",
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"updated_at": "2021-11-28T01:36:01.536000Z",
"spacegroup": 107
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{
"id": "mp-1210105",
"created_at": "2022-09-04T14:42:51.572850Z",
"structure_string": "Nb2 Si1 As2\n1.0\n2.702111 0.000000 0.000000\n0.000000 2.702111 0.000000\n0.000000 0.000000 13.505045\nNb Si As\n2 1 2\ndirect\n0.500000 0.500000 0.190504 Nb\n0.500000 0.500000 0.809496 Nb\n0.500000 0.500000 0.000000 Si\n0.500000 0.500000 0.604580 As\n0.500000 0.500000 0.395420 As\n",
"nsites": 5,
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"elements": [
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"chemical_system": "As-Nb-Si",
"density": 6.125471120013857,
"density_atomic": 0.050706962740494535,
"volume": 98.60578764278864,
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"formula_full": "Nb2 Si1 As2",
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"updated_at": "2021-11-28T01:35:50.358000Z",
"spacegroup": 123
},
{
"id": "mp-1206621",
"created_at": "2022-09-04T14:43:10.689912Z",
"structure_string": "K2 Yb2 I6\n1.0\n2.295749 -7.712835 0.000000\n2.295749 7.712835 0.000000\n0.000000 0.000000 11.783954\nK Yb I\n2 2 6\ndirect\n0.249009 0.750991 0.250000 K\n0.750991 0.249009 0.750000 K\n0.000000 0.000000 0.000000 Yb\n0.000000 0.000000 0.500000 Yb\n0.633093 0.366907 0.055785 I\n0.366907 0.633093 0.944215 I\n0.366907 0.633093 0.555785 I\n0.633093 0.366907 0.444215 I\n0.926428 0.073572 0.250000 I\n0.073572 0.926428 0.750000 I\n",
"nsites": 10,
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"elements": [
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"I"
],
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"density": 4.718084245865581,
"density_atomic": 0.023962963230687053,
"volume": 417.3106599435067,
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"formula_full": "K2 Yb2 I6",
"formula_reduced": "KYbI3",
"formula_anonymous": "ABC3",
"energy": -32.5468716,
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"spacegroup": 63
},
{
"id": "mp-975814",
"created_at": "2022-09-04T14:46:17.721152Z",
"structure_string": "Mo3 H1\n1.0\n0.000000 3.039574 3.039574\n3.039574 0.000000 3.039574\n3.039574 3.039574 0.000000\nMo H\n3 1\ndirect\n0.250000 0.250000 0.250000 Mo\n0.750000 0.750000 0.750000 Mo\n0.500000 0.500000 0.500000 Mo\n0.000000 0.000000 0.000000 H\n",
"nsites": 4,
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"elements": [
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"density": 8.539258125186139,
"density_atomic": 0.07121833771845741,
"volume": 56.16530978036762,
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"formula_full": "Mo3 H1",
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"energy": -32.54636473,
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},
{
"id": "mp-1027965",
"created_at": "2022-09-04T14:41:04.840516Z",
"structure_string": "Y1 Mg14 Ga1\n1.0\n6.477145 0.123248 0.000000\n-3.131837 5.424500 0.000000\n0.000000 0.000000 10.378093\nY Mg Ga\n1 14 1\ndirect\n0.151758 0.325879 0.125000 Y\n0.166516 0.333257 0.625000 Mg\n0.161471 0.830735 0.625000 Mg\n0.649658 0.318468 0.125000 Mg\n0.665390 0.336707 0.625000 Mg\n0.649658 0.831189 0.125000 Mg\n0.665390 0.828682 0.625000 Mg\n0.336865 0.166357 0.379363 Mg\n0.336865 0.166357 0.870637 Mg\n0.336865 0.670509 0.379363 Mg\n0.336865 0.670509 0.870637 Mg\n0.832876 0.166438 0.384201 Mg\n0.832876 0.166438 0.865799 Mg\n0.844140 0.672071 0.362093 Mg\n0.844140 0.672071 0.887907 Mg\n0.188666 0.844333 0.125000 Ga\n",
"nsites": 16,
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"elements": [
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"Mg",
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],
"chemical_system": "Ga-Mg-Y",
"density": 2.247271840704145,
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"formula_full": "Y1 Mg14 Ga1",
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"updated_at": "2021-11-28T01:35:08.217000Z",
"spacegroup": 38
},
{
"id": "mp-1027847",
"created_at": "2022-09-04T14:40:16.407632Z",
"structure_string": "Mg14 Ga1 Fe1\n1.0\n6.260830 -0.000000 0.000000\n-3.130415 5.422038 -0.000000\n-0.000000 -0.000000 9.856197\nMg Ga Fe\n14 1 1\ndirect\n0.164447 0.832223 0.125000 Mg\n0.168763 0.834381 0.625000 Mg\n0.667777 0.335553 0.125000 Mg\n0.665619 0.331237 0.625000 Mg\n0.667777 0.832223 0.125000 Mg\n0.665619 0.834381 0.625000 Mg\n0.324829 0.175171 0.365399 Mg\n0.324829 0.175171 0.884601 Mg\n0.324829 0.649660 0.365399 Mg\n0.324829 0.649660 0.884601 Mg\n0.850340 0.175171 0.365399 Mg\n0.850340 0.175171 0.884601 Mg\n0.833333 0.666667 0.376769 Mg\n0.833333 0.666667 0.873231 Mg\n0.166667 0.333333 0.625000 Ga\n0.166667 0.333333 0.125000 Fe\n",
"nsites": 16,
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{
"id": "mp-1187192",
"created_at": "2022-09-04T14:43:03.568838Z",
"structure_string": "Sr1 Sb1 O3\n1.0\n4.208672 0.000000 0.000000\n0.000000 4.208672 0.000000\n0.000000 0.000000 4.208672\nSr Sb O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sb\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
"id": "mp-1179352",
"created_at": "2022-09-04T14:47:00.531364Z",
"structure_string": "Sn4 Sb4\n1.0\n5.620079 2.792126 2.883160\n-3.595985 3.609517 3.609666\n-2.851056 -5.227345 2.348683\nSn Sb\n4 4\ndirect\n0.000000 0.000000 0.000000 Sn\n0.500000 0.000000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.500000 0.000000 0.500000 Sn\n0.000000 0.500000 0.000000 Sb\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.500000 0.500000 0.500000 Sb\n",
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"formula_full": "Sn4 Sb4",
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{
"id": "mp-865586",
"created_at": "2022-09-04T14:40:21.047861Z",
"structure_string": "V1 Ga1 Ru2\n1.0\n0.000000 3.013525 3.013525\n3.013525 0.000000 3.013525\n3.013525 3.013525 0.000000\nV Ga Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 Ga\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
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"density": 9.793417879796804,
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}
]
}