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{
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{
"id": "mp-1093601",
"created_at": "2022-09-04T14:43:57.068834Z",
"structure_string": "Li1 Ca2 Zn1\n1.0\n-6.213066 6.668243 8.793188\n6.213066 -6.668243 8.793188\n6.213066 6.668243 -8.793188\nLi Ca Zn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.744963 0.000000 0.744963 Ca\n0.255037 0.000000 0.255037 Ca\n0.500000 0.000000 0.500000 Zn\n",
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{
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"spacegroup": 71
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{
"id": "mp-1097346",
"created_at": "2022-09-04T14:48:03.491407Z",
"structure_string": "Tl1 In1 Pb2\n1.0\n-5.680386 6.437179 9.956015\n5.680386 -6.437179 9.956015\n5.680386 6.437179 -9.956015\nTl In Pb\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n0.000000 0.242841 0.242841 Pb\n0.000000 0.757159 0.757159 Pb\n",
"nsites": 4,
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"elements": [
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"chemical_system": "In-Pb-Tl",
"density": 0.8365467608655625,
"density_atomic": 0.002746888451803689,
"volume": 1456.193096364536,
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"formula_full": "Tl1 In1 Pb2",
"formula_reduced": "TlInPb2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.902000Z",
"spacegroup": 71
},
{
"id": "mp-1096130",
"created_at": "2022-09-04T14:47:04.284202Z",
"structure_string": "Na1 Tl2 In1\n1.0\n-5.991034 6.564466 9.254610\n5.991034 -6.564466 9.254610\n5.991034 6.564466 -9.254610\nNa Tl In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.260995 0.260995 Tl\n0.000000 0.739005 0.739005 Tl\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
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"elements": [
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"chemical_system": "In-Na-Tl",
"density": 0.623417600255701,
"density_atomic": 0.0027475189129297713,
"volume": 1455.8589501153483,
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"formula_full": "Na1 Tl2 In1",
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"updated_at": "2021-11-28T01:37:56.129000Z",
"spacegroup": 71
},
{
"id": "mp-1096087",
"created_at": "2022-09-04T14:39:21.604085Z",
"structure_string": "Li1 Y1 In2\n1.0\n-5.904838 6.551637 9.394753\n5.904838 -6.551637 9.394753\n5.904838 6.551637 -9.394753\nLi Y In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Y\n0.000000 0.238911 0.238911 In\n0.000000 0.761089 0.761089 In\n",
"nsites": 4,
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"density": 0.3717697383142878,
"density_atomic": 0.0027514195543153256,
"volume": 1453.795003283451,
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"formula_full": "Li1 Y1 In2",
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"energy_uncorrected": -7.7051038,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:35.872000Z",
"spacegroup": 71
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{
"id": "mp-1093976",
"created_at": "2022-09-04T14:43:08.762747Z",
"structure_string": "Ti1 V1 Fe2\n1.0\n-4.458703 7.409973 11.000170\n4.458703 -7.409973 11.000170\n4.458703 7.409973 -11.000170\nTi V Fe\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 V\n0.000000 0.245992 0.245992 Fe\n0.000000 0.754008 0.754008 Fe\n",
"nsites": 4,
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"Fe"
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"density_atomic": 0.002751537481460455,
"volume": 1453.7326956116508,
"volume_molar": 218.8645730096899,
"formula_full": "Ti1 V1 Fe2",
"formula_reduced": "TiVFe2",
"formula_anonymous": "ABC2",
"energy": -19.95854731,
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"energy_uncorrected": -19.95854731,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:07.052000Z",
"spacegroup": 71
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{
"id": "mp-1095724",
"created_at": "2022-09-04T14:42:20.904201Z",
"structure_string": "Ba1 Li2 Pb1\n1.0\n-6.288358 6.440399 8.958174\n6.288358 -6.440399 8.958174\n6.288358 6.440399 -8.958174\nBa Li Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.286742 0.286742 Li\n0.000000 0.713258 0.713258 Li\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"Li",
"Pb"
],
"chemical_system": "Ba-Li-Pb",
"density": 0.4101082319306902,
"density_atomic": 0.0027563253159098447,
"volume": 1451.2075105618026,
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"formula_full": "Ba1 Li2 Pb1",
"formula_reduced": "BaLi2Pb",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.795000Z",
"spacegroup": 71
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{
"id": "mp-1093984",
"created_at": "2022-09-04T14:47:04.282827Z",
"structure_string": "Sr1 Li2 In1\n1.0\n-6.302284 6.518525 8.821404\n6.302284 -6.518525 8.821404\n6.302284 6.518525 -8.821404\nSr Li In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.277335 0.000000 0.277335 Li\n0.722665 0.000000 0.722665 Li\n0.500000 0.000000 0.500000 In\n",
"nsites": 4,
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"elements": [
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"Li",
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"density": 0.2477996923158396,
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"volume": 1449.5894144576832,
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"formula_full": "Sr1 Li2 In1",
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"updated_at": "2021-11-28T01:37:54.587000Z",
"spacegroup": 71
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{
"id": "mp-1097136",
"created_at": "2022-09-04T14:40:20.088759Z",
"structure_string": "Y2 Tl1 In1\n1.0\n-6.060767 6.550568 9.111632\n6.060767 -6.550568 9.111632\n6.060767 6.550568 -9.111632\nY Tl In\n2 1 1\ndirect\n0.000000 0.249561 0.249561 Y\n0.000000 0.750439 0.750439 Y\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
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"elements": [
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"density": 0.5703666655585983,
"density_atomic": 0.0027643770653827775,
"volume": 1446.9806055369397,
"volume_molar": 217.84802208833713,
"formula_full": "Y2 Tl1 In1",
"formula_reduced": "Y2TlIn",
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"updated_at": "2021-11-28T01:34:47.192000Z",
"spacegroup": 71
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{
"id": "mp-1096613",
"created_at": "2022-09-04T14:48:09.416241Z",
"structure_string": "Sr1 La1 Mg2\n1.0\n-5.999535 7.090681 8.502101\n5.999535 -7.090681 8.502101\n5.999535 7.090681 -8.502101\nSr La Mg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.500000 La\n0.741224 0.000000 0.741224 Mg\n0.258776 0.000000 0.258776 Mg\n",
"nsites": 4,
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"volume": 1446.7443331227453,
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"formula_full": "Sr1 La1 Mg2",
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"updated_at": "2021-11-28T01:38:31.078000Z",
"spacegroup": 71
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{
"id": "mp-1097482",
"created_at": "2022-09-04T14:45:15.874784Z",
"structure_string": "Sr1 La1 Cd2\n1.0\n-6.168746 6.727136 8.667369\n6.168746 -6.727136 8.667369\n6.168746 6.727136 -8.667369\nSr La Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.500000 La\n0.261958 0.000000 0.261958 Cd\n0.738042 0.000000 0.738042 Cd\n",
"nsites": 4,
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"volume": 1438.7136824662948,
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"formula_full": "Sr1 La1 Cd2",
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"updated_at": "2021-11-28T01:36:56.449000Z",
"spacegroup": 71
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{
"id": "mp-1096283",
"created_at": "2022-09-04T14:44:23.760054Z",
"structure_string": "Li2 Ca1 Cd1\n1.0\n-6.328911 6.360604 8.933815\n6.328911 -6.360604 8.933815\n6.328911 6.360604 -8.933815\nLi Ca Cd\n2 1 1\ndirect\n0.728836 0.000000 0.728836 Li\n0.271164 0.000000 0.271164 Li\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.500000 Cd\n",
"nsites": 4,
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"density": 0.19204474670690908,
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"volume": 1438.547785277011,
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"formula_full": "Li2 Ca1 Cd1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:36:35.839000Z",
"spacegroup": 71
}
]
}