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{
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{
"id": "mp-1097504",
"created_at": "2022-09-04T14:47:29.081653Z",
"structure_string": "Mg1 Sn1 Ru2\n1.0\n-5.232381 5.405103 7.676169\n5.232381 -5.405103 7.676169\n5.232381 5.405103 -7.676169\nMg Sn Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Sn\n0.000000 0.260484 0.260484 Ru\n0.000000 0.739516 0.739516 Ru\n",
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{
"id": "mp-1093673",
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"structure_string": "Li1 Ca1 Au2\n1.0\n-5.359469 6.046168 8.549620\n5.359469 -6.046168 8.549620\n5.359469 6.046168 -8.549620\nLi Ca Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Ca\n0.000000 0.239345 0.239345 Au\n0.000000 0.760655 0.760655 Au\n",
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"elements": [
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"formula_full": "Li1 Ca1 Au2",
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"updated_at": "2021-11-28T01:36:28.076000Z",
"spacegroup": 71
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{
"id": "mp-1093911",
"created_at": "2022-09-04T14:39:10.322912Z",
"structure_string": "Y1 Ge1 Pd2\n1.0\n-4.769249 5.910756 8.338449\n4.769249 -5.910756 8.338449\n4.769249 5.910756 -8.338449\nY Ge Pd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ge\n0.000000 0.248160 0.248160 Pd\n0.000000 0.751840 0.751840 Pd\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ge-Pd-Y",
"density": 0.661196013333383,
"density_atomic": 0.004254237133823833,
"volume": 940.2390779295094,
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"formula_full": "Y1 Ge1 Pd2",
"formula_reduced": "YGePd2",
"formula_anonymous": "ABC2",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.711000Z",
"spacegroup": 71
},
{
"id": "mp-1095917",
"created_at": "2022-09-04T14:45:25.087344Z",
"structure_string": "Al1 Ga1 Pd2\n1.0\n-4.842540 5.327382 7.530402\n4.842540 -5.327382 7.530402\n4.842540 5.327382 -7.530402\nAl Ga Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Ga\n0.000000 0.245987 0.245987 Pd\n0.000000 0.754013 0.754013 Pd\n",
"nsites": 4,
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"elements": [
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"Ga",
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],
"chemical_system": "Al-Ga-Pd",
"density": 0.6614652528685226,
"density_atomic": 0.00514748136732247,
"volume": 777.0790634412053,
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"formula_full": "Al1 Ga1 Pd2",
"formula_reduced": "AlGaPd2",
"formula_anonymous": "ABC2",
"energy": -12.49603793,
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"energy_uncorrected": -12.49603793,
"band_gap": 0.6435999999999997,
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"total_magnetization": 7.01e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.013000Z",
"spacegroup": 71
},
{
"id": "mp-1093810",
"created_at": "2022-09-04T14:42:13.506624Z",
"structure_string": "Mn1 Al2 Ir1\n1.0\n-4.981722 5.170475 7.333085\n4.981722 -5.170475 7.333085\n4.981722 5.170475 -7.333085\nMn Al Ir\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.264403 0.264403 Al\n0.000000 0.735597 0.735597 Al\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Al-Ir-Mn",
"density": 0.6618039416123703,
"density_atomic": 0.005294236645966718,
"volume": 755.5385728832691,
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"formula_full": "Mn1 Al2 Ir1",
"formula_reduced": "MnAl2Ir",
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"energy_uncorrected": -15.98822876,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:36.509000Z",
"spacegroup": 71
},
{
"id": "mp-1093695",
"created_at": "2022-09-04T14:47:13.958505Z",
"structure_string": "Si1 Tc2 P1\n1.0\n-4.526845 4.997008 7.070081\n4.526845 -4.997008 7.070081\n4.526845 4.997008 -7.070081\nSi Tc P\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.000000 0.255414 0.255414 Tc\n0.000000 0.744586 0.744586 Tc\n0.000000 0.500000 0.500000 P\n",
"nsites": 4,
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"elements": [
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"Tc",
"P"
],
"chemical_system": "P-Si-Tc",
"density": 0.6620642633062749,
"density_atomic": 0.006252733824931913,
"volume": 639.720178724153,
"volume_molar": 96.31212408223017,
"formula_full": "Si1 Tc2 P1",
"formula_reduced": "SiTc2P",
"formula_anonymous": "ABC2",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.795000Z",
"spacegroup": 71
},
{
"id": "mp-1096611",
"created_at": "2022-09-04T14:47:01.407573Z",
"structure_string": "Zr1 Sc1 Pd2\n1.0\n-4.923546 5.452345 8.150736\n4.923546 -5.452345 8.150736\n4.923546 5.452345 -8.150736\nZr Sc Pd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Sc\n0.000000 0.237761 0.237761 Pd\n0.000000 0.762239 0.762239 Pd\n",
"nsites": 4,
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"elements": [
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"Sc",
"Pd"
],
"chemical_system": "Pd-Sc-Zr",
"density": 0.6621877708929862,
"density_atomic": 0.004570269867292027,
"volume": 875.221839442509,
"volume_molar": 131.76772783372274,
"formula_full": "Zr1 Sc1 Pd2",
"formula_reduced": "ZrScPd2",
"formula_anonymous": "ABC2",
"energy": -16.93217223,
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"energy_above_hull": null,
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"band_gap": 0.3046999999999999,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.464000Z",
"spacegroup": 71
},
{
"id": "mp-1095962",
"created_at": "2022-09-04T14:39:57.693005Z",
"structure_string": "Li1 Ag2 Bi1\n1.0\n-5.430922 5.936887 8.390992\n5.430922 -5.936887 8.390992\n5.430922 5.936887 -8.390992\nLi Ag Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.241651 0.241651 Ag\n0.000000 0.758349 0.758349 Ag\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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"Ag",
"Bi"
],
"chemical_system": "Ag-Bi-Li",
"density": 0.6623431418314778,
"density_atomic": 0.003696190485063141,
"volume": 1082.19530788919,
"volume_molar": 162.92831184800602,
"formula_full": "Li1 Ag2 Bi1",
"formula_reduced": "LiAg2Bi",
"formula_anonymous": "ABC2",
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"energy_above_hull": null,
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"energy_uncorrected": -6.67762912,
"band_gap": 0.4336000000000002,
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"updated_at": "2021-11-28T01:34:52.448000Z",
"spacegroup": 71
},
{
"id": "mp-1093934",
"created_at": "2022-09-04T14:39:36.210915Z",
"structure_string": "Mg2 Ni1 Pt1\n1.0\n-4.813878 5.242499 7.507312\n4.813878 -5.242499 7.507312\n4.813878 5.242499 -7.507312\nMg Ni Pt\n2 1 1\ndirect\n0.000000 0.251016 0.251016 Mg\n0.000000 0.748984 0.748984 Mg\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"elements": [
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"Ni",
"Pt"
],
"chemical_system": "Mg-Ni-Pt",
"density": 0.6625747720273556,
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"volume": 757.8406425152415,
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"formula_full": "Mg2 Ni1 Pt1",
"formula_reduced": "Mg2NiPt",
"formula_anonymous": "ABC2",
"energy": -8.26542936,
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"updated_at": "2021-11-28T01:34:38.477000Z",
"spacegroup": 71
},
{
"id": "mp-1096499",
"created_at": "2022-09-04T14:43:17.055814Z",
"structure_string": "Li1 Nb1 Ru2\n1.0\n-4.892404 5.228898 7.393107\n4.892404 -5.228898 7.393107\n4.892404 5.228898 -7.393107\nLi Nb Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Nb\n0.000000 0.276792 0.276792 Ru\n0.000000 0.723208 0.723208 Ru\n",
"nsites": 4,
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"elements": [
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"volume": 756.5183484909791,
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"formula_full": "Li1 Nb1 Ru2",
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"updated_at": "2021-11-28T01:36:07.543000Z",
"spacegroup": 71
},
{
"id": "mp-1096638",
"created_at": "2022-09-04T14:44:04.706469Z",
"structure_string": "Al2 Cr1 Ir1\n1.0\n-5.050614 5.116183 7.226267\n5.050614 -5.116183 7.226267\n5.050614 5.116183 -7.226267\nAl Cr Ir\n2 1 1\ndirect\n0.000000 0.267893 0.267893 Al\n0.000000 0.732107 0.732107 Al\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
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"density": 0.662914923668528,
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"volume": 746.9030689941468,
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"formula_full": "Al2 Cr1 Ir1",
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"updated_at": "2021-11-28T01:36:26.702000Z",
"spacegroup": 71
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{
"id": "mp-1097669",
"created_at": "2022-09-04T14:46:16.857267Z",
"structure_string": "Zn1 Ga1 Co2\n1.0\n-4.816844 4.817592 6.823477\n4.816844 -4.817592 6.823477\n4.816844 4.817592 -6.823477\nZn Ga Co\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ga\n0.000000 0.255929 0.255929 Co\n0.000000 0.744071 0.744071 Co\n",
"nsites": 4,
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"density": 0.6632977640165753,
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"volume": 633.3712145174734,
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"formula_full": "Zn1 Ga1 Co2",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:27.641000Z",
"spacegroup": 71
}
]
}