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{
"id": "mp-1018123",
"created_at": "2022-09-04T14:42:57.854156Z",
"structure_string": "Ti1 Au2\n1.0\n-1.733336 1.733336 4.310267\n1.733336 -1.733336 4.310267\n1.733336 1.733336 -4.310267\nTi Au\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.664180 0.664180 0.000000 Au\n0.335820 0.335820 0.000000 Au\n",
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{
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{
"id": "mp-1222141",
"created_at": "2022-09-04T14:39:28.700997Z",
"structure_string": "Mg2 Te1 S1\n1.0\n-3.047305 -3.047305 0.000000\n0.000000 3.047305 -3.047305\n3.072743 -3.072743 -6.120049\nMg Te S\n2 1 1\ndirect\n0.009275 0.018550 0.972175 Mg\n0.489944 0.979889 0.530167 Mg\n0.876902 0.753805 0.369293 Te\n0.373878 0.747757 0.878365 S\n",
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"density": 3.0364623183437796,
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"volume": 113.89858915975485,
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"formula_full": "Mg2 Te1 S1",
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"updated_at": "2021-11-28T01:34:44.265000Z",
"spacegroup": 160
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{
"id": "mp-1007652",
"created_at": "2022-09-04T14:41:03.739770Z",
"structure_string": "In2 As2\n1.0\n2.184531 -3.783719 0.000000\n2.184531 3.783719 0.000000\n0.000000 0.000000 7.163801\nIn As\n2 2\ndirect\n0.666667 0.333333 0.500114 In\n0.333333 0.666667 0.000114 In\n0.666667 0.333333 0.875386 As\n0.333333 0.666667 0.375386 As\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"chemical_system": "As-In",
"density": 5.320916908680534,
"density_atomic": 0.03377609166184784,
"volume": 118.42696425762738,
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"formula_full": "In2 As2",
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"updated_at": "2021-11-28T01:35:10.198000Z",
"spacegroup": 186
},
{
"id": "mp-1206431",
"created_at": "2022-09-04T14:47:29.412716Z",
"structure_string": "In2 Au3\n1.0\n2.318093 -4.015055 0.000000\n2.318093 4.015055 0.000000\n0.000000 0.000000 5.989056\nIn Au\n2 3\ndirect\n0.333333 0.666667 0.179563 In\n0.666667 0.333333 0.820437 In\n0.333333 0.666667 0.647030 Au\n0.666667 0.333333 0.352970 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 5,
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"elements": [
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"density": 12.221819300881926,
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"volume": 111.48353313613717,
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"formula_full": "In2 Au3",
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"formula_anonymous": "A2B3",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:04.806000Z",
"spacegroup": 164
},
{
"id": "mp-1098079",
"created_at": "2022-09-04T14:39:14.760330Z",
"structure_string": "Cs1 Mg6 V1\n1.0\n3.916275 -5.191910 0.000000\n3.916275 5.191910 0.000000\n0.000000 0.000000 5.302851\nCs Mg V\n1 6 1\ndirect\n0.356917 0.643083 0.500000 Cs\n0.358382 0.148764 0.500000 Mg\n0.851236 0.641618 0.500000 Mg\n0.099850 0.308973 0.000000 Mg\n0.691027 0.900150 0.000000 Mg\n0.648898 0.351102 0.000000 Mg\n0.135067 0.864933 0.000000 Mg\n0.858628 0.141372 0.500000 V\n",
"nsites": 8,
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"elements": [
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"Mg",
"V"
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"chemical_system": "Cs-Mg-V",
"density": 2.5386213474871,
"density_atomic": 0.037097977297068964,
"volume": 215.6451802193556,
"volume_molar": 16.233070368706592,
"formula_full": "Cs1 Mg6 V1",
"formula_reduced": "CsMg6V",
"formula_anonymous": "ABC6",
"energy": -15.70718821,
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"updated_at": "2021-11-28T01:34:25.725000Z",
"spacegroup": 38
},
{
"id": "mp-983583",
"created_at": "2022-09-04T14:39:13.292149Z",
"structure_string": "Er2 Zn1 Cu1\n1.0\n0.000000 3.494391 3.494391\n3.494391 0.000000 3.494391\n3.494391 3.494391 0.000000\nEr Zn Cu\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Er\n0.750000 0.750000 0.750000 Er\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Cu\n",
"nsites": 4,
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"elements": [
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"Zn",
"Cu"
],
"chemical_system": "Cu-Er-Zn",
"density": 9.018390705775417,
"density_atomic": 0.046872217607173396,
"volume": 85.33839882557282,
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"formula_full": "Er2 Zn1 Cu1",
"formula_reduced": "Er2ZnCu",
"formula_anonymous": "ABC2",
"energy": -15.70700925,
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"updated_at": "2021-11-28T01:34:37.044000Z",
"spacegroup": 225
},
{
"id": "mp-866045",
"created_at": "2022-09-04T14:46:12.919960Z",
"structure_string": "Ce1 Y1 Mg2\n1.0\n0.000000 3.817581 3.817581\n3.817581 0.000000 3.817581\n3.817581 3.817581 0.000000\nCe Y Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ce-Mg-Y",
"density": 4.1430827469463765,
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"volume": 111.27427599586828,
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"formula_full": "Ce1 Y1 Mg2",
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"updated_at": "2021-11-28T01:37:22.952000Z",
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{
"id": "mp-1185012",
"created_at": "2022-09-04T14:48:22.927102Z",
"structure_string": "La1 Er1 Tl2\n1.0\n0.000000 3.884667 3.884667\n3.884667 0.000000 3.884667\n3.884667 3.884667 0.000000\nLa Er Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Er\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n",
"nsites": 4,
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"elements": [
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"density": 10.12562604695917,
"density_atomic": 0.03411682491795085,
"volume": 117.24420457119872,
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"formula_reduced": "LaErTl2",
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"updated_at": "2021-11-28T01:39:16.771000Z",
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{
"id": "mp-862747",
"created_at": "2022-09-04T14:39:39.113382Z",
"structure_string": "Sr2 Pt1 Au1\n1.0\n0.000000 3.766351 3.766351\n3.766351 0.000000 3.766351\n3.766351 3.766351 0.000000\nSr Pt Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.500000 Au\n",
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"spacegroup": 225
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{
"id": "mp-1183995",
"created_at": "2022-09-04T14:45:27.765560Z",
"structure_string": "Ga1 Cu3\n1.0\n3.686444 0.000000 0.000000\n0.000000 3.686444 0.000000\n0.000000 0.000000 3.686444\nGa Cu\n1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n",
"nsites": 4,
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"formula_full": "Ga1 Cu3",
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"updated_at": "2021-11-28T01:36:57.426000Z",
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{
"id": "mp-861913",
"created_at": "2022-09-04T14:39:15.899004Z",
"structure_string": "Li1 Dy2 Al1\n1.0\n0.000000 3.639112 3.639112\n3.639112 0.000000 3.639112\n3.639112 3.639112 0.000000\nLi Dy Al\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.750000 0.750000 Dy\n0.250000 0.250000 0.250000 Dy\n0.500000 0.500000 0.500000 Al\n",
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"volume": 96.3865113516005,
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"updated_at": "2021-11-28T01:34:34.642000Z",
"spacegroup": 225
}
]
}