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{
"id": "mp-23023",
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"structure_string": "La2 Br2 O2\n1.0\n4.151352 0.000000 0.000000\n0.000000 4.151352 0.000000\n0.000000 0.000000 7.668777\nLa Br O\n2 2 2\ndirect\n0.000000 0.500000 0.843320 La\n0.500000 0.000000 0.156680 La\n0.500000 0.000000 0.640424 Br\n0.000000 0.500000 0.359576 Br\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
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"formula_full": "Li8 As1 O3",
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{
"id": "mp-1521404",
"created_at": "2022-09-04T14:40:52.466771Z",
"structure_string": "Sr1 V1 Sn1 W1 O6\n1.0\n0.000000 -4.042786 -4.042786\n4.042786 -0.000000 -4.042786\n4.042786 -4.042786 -0.000000\nSr V Sn W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 Sn\n0.500000 0.500000 0.500000 W\n0.742112 0.257888 0.257888 O\n0.257888 0.742112 0.742112 O\n0.742112 0.257888 0.742112 O\n0.257888 0.742112 0.257888 O\n0.742112 0.742112 0.257888 O\n0.257888 0.257888 0.742112 O\n",
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"elements": [
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"chemical_system": "O-Sn-Sr-V-W",
"density": 6.7489837543163,
"density_atomic": 0.07567069888469614,
"volume": 132.15154805478383,
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"formula_full": "Sr1 V1 Sn1 W1 O6",
"formula_reduced": "SrVSnWO6",
"formula_anonymous": "ABCDE6",
"energy": -80.57158066000001,
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"updated_at": "2021-11-28T01:34:58.157000Z",
"spacegroup": 216
},
{
"id": "mp-14105",
"created_at": "2022-09-04T14:42:25.299022Z",
"structure_string": "Al2 Tl2 O4\n1.0\n0.000000 4.042720 4.042720\n4.042720 0.000000 4.042720\n4.042720 4.042720 0.000000\nAl Tl O\n2 2 4\ndirect\n0.750000 0.750000 0.750000 Al\n0.500000 0.500000 0.500000 Al\n0.250000 0.250000 0.250000 Tl\n0.000000 0.000000 0.000000 Tl\n0.625000 0.625000 0.625000 O\n0.125000 0.625000 0.625000 O\n0.625000 0.125000 0.625000 O\n0.625000 0.625000 0.125000 O\n",
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"formula_full": "Al2 Tl2 O4",
"formula_reduced": "AlTlO2",
"formula_anonymous": "ABC2",
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{
"id": "mp-1517224",
"created_at": "2022-09-04T14:39:13.338715Z",
"structure_string": "Na1 Ca1 Eu1 Fe1 O6\n1.0\n0.000000 -4.042715 -4.042715\n4.042715 -0.000000 -4.042715\n4.042715 -4.042715 0.000000\nNa Ca Eu Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 -0.000000 Eu\n0.500000 0.500000 0.500000 Fe\n0.730878 0.269122 0.269122 O\n0.269122 0.730878 0.730878 O\n0.730878 0.269122 0.730878 O\n0.269122 0.730878 0.269122 O\n0.730878 0.730878 0.269122 O\n0.269122 0.269122 0.730878 O\n",
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"density": 4.610156575021878,
"density_atomic": 0.07567468584443318,
"volume": 132.1445855825198,
"volume_molar": 7.957932950498008,
"formula_full": "Na1 Ca1 Eu1 Fe1 O6",
"formula_reduced": "NaCaEuFeO6",
"formula_anonymous": "ABCDE6",
"energy": -71.66116288,
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"updated_at": "2021-11-28T01:34:44.960000Z",
"spacegroup": 216
},
{
"id": "mp-1094273",
"created_at": "2022-09-04T14:44:19.869875Z",
"structure_string": "Mg5 Ti1\n1.0\n5.491610 -2.691093 0.000000\n5.491610 2.691093 0.000000\n4.172875 0.000000 4.470669\nMg Ti\n5 1\ndirect\n0.000000 0.659873 0.340127 Mg\n0.165138 0.165138 0.165138 Mg\n0.340127 0.000000 0.659873 Mg\n0.659873 0.340127 0.000000 Mg\n0.834862 0.834862 0.834862 Mg\n0.500000 0.500000 0.500000 Ti\n",
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"elements": [
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"volume": 132.13896661744755,
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"formula_full": "Mg5 Ti1",
"formula_reduced": "Mg5Ti",
"formula_anonymous": "AB5",
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"updated_at": "2021-11-28T01:36:28.316000Z",
"spacegroup": 155
},
{
"id": "mp-1520521",
"created_at": "2022-09-04T14:42:45.169719Z",
"structure_string": "Hf1 Ti1 Sn2 O6\n1.0\n0.000000 -4.042639 -4.042639\n4.042639 0.000000 -4.042639\n4.042639 -4.042639 -0.000000\nHf Ti Sn O\n1 1 2 6\ndirect\n-0.000000 -0.000000 -0.000000 Hf\n0.500000 0.500000 0.500000 Ti\n0.250000 0.250000 0.250000 Sn\n0.750000 0.750000 0.750000 Sn\n0.743689 0.256311 0.256311 O\n0.256311 0.743689 0.743689 O\n0.743689 0.256311 0.743689 O\n0.256311 0.743689 0.256311 O\n0.743689 0.743689 0.256311 O\n0.256311 0.256311 0.743689 O\n",
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"volume": 132.13713306629873,
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"formula_full": "Hf1 Ti1 Sn2 O6",
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{
"id": "mp-1522797",
"created_at": "2022-09-04T14:40:19.538751Z",
"structure_string": "Ba1 Ti1 Nb1 Ga1 O6\n1.0\n-0.000000 -4.042636 -4.042636\n4.042636 -0.000000 -4.042636\n4.042636 -4.042636 0.000000\nBa Ti Nb Ga O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Nb\n0.750000 0.750000 0.750000 Ga\n0.748240 0.251760 0.251760 O\n0.251760 0.748240 0.748240 O\n0.748240 0.251760 0.748240 O\n0.251760 0.748240 0.251760 O\n0.748240 0.748240 0.251760 O\n0.251760 0.251760 0.748240 O\n",
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{
"id": "mp-1523046",
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"structure_string": "Sr2 Hf1 Ti1 O6\n1.0\n0.000000 -4.042582 -4.042582\n4.042582 -0.000000 -4.042582\n4.042582 -4.042582 0.000000\nSr Hf Ti O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n-0.000000 -0.000000 -0.000000 Hf\n0.500000 0.500000 0.500000 Ti\n0.744058 0.255942 0.255942 O\n0.255942 0.744058 0.744058 O\n0.744058 0.255942 0.744058 O\n0.255942 0.744058 0.255942 O\n0.744058 0.744058 0.255942 O\n0.255942 0.255942 0.744058 O\n",
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"formula_full": "Sr2 Hf1 Ti1 O6",
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{
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"created_at": "2022-09-04T14:42:15.734448Z",
"structure_string": "Mg1 Pb2 W1 O6\n1.0\n0.000000 4.042574 4.042574\n4.042574 0.000000 4.042574\n4.042574 4.042574 0.000000\nMg Pb W O\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Pb\n0.250000 0.250000 0.250000 Pb\n0.000000 0.000000 0.000000 W\n0.758311 0.241689 0.758311 O\n0.241689 0.241689 0.758311 O\n0.758311 0.758311 0.241689 O\n0.758311 0.241689 0.241689 O\n0.241689 0.758311 0.241689 O\n0.241689 0.758311 0.758311 O\n",
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"volume": 132.1307594260462,
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"formula_full": "Mg1 Pb2 W1 O6",
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{
"id": "mp-1094901",
"created_at": "2022-09-04T14:48:26.000908Z",
"structure_string": "Mg2 Cd4\n1.0\n1.595293 5.831798 0.000000\n-1.595293 5.831798 0.000000\n0.000000 2.028446 7.101148\nMg Cd\n2 4\ndirect\n0.526938 0.526938 0.196431 Mg\n0.473062 0.473062 0.803569 Mg\n0.808782 0.808782 0.137167 Cd\n0.136946 0.136946 0.471645 Cd\n0.863054 0.863054 0.528355 Cd\n0.191218 0.191218 0.862833 Cd\n",
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{
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