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{
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"results": [
{
"id": "mp-1101339",
"created_at": "2022-09-04T14:41:18.138456Z",
"structure_string": "Tb2 Ga2 O6\n1.0\n4.621320 -2.751299 0.000000\n4.621320 2.751299 0.000000\n2.983336 0.000000 4.475037\nTb Ga O\n2 2 6\ndirect\n0.750000 0.750000 0.750000 Tb\n0.250000 0.250000 0.250000 Tb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.843185 0.250000 0.656815 O\n0.750000 0.343185 0.156815 O\n0.343185 0.156815 0.750000 O\n0.656815 0.843185 0.250000 O\n0.250000 0.656815 0.843185 O\n0.156815 0.750000 0.343185 O\n",
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{
"id": "mp-1217535",
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"structure_string": "Tb2 Ga2 Ni2\n1.0\n-4.188904 0.000000 0.000000\n-2.094452 -3.231299 3.638007\n2.094453 3.588343 3.980465\nTb Ga Ni\n2 2 2\ndirect\n0.744687 0.697898 0.187273 Tb\n0.255313 0.302102 0.812727 Tb\n0.577686 0.246543 0.401915 Ga\n0.422314 0.753457 0.598085 Ga\n0.045105 0.111415 0.201624 Ni\n0.954895 0.888585 0.798376 Ni\n",
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"formula_full": "Tb2 Ga2 Ni2",
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"updated_at": "2021-11-28T01:35:42.072000Z",
"spacegroup": 12
},
{
"id": "mp-1025099",
"created_at": "2022-09-04T14:42:25.358714Z",
"structure_string": "Tb2 Ga2 I2\n1.0\n2.104502 -3.645105 0.000000\n2.104502 3.645105 0.000000\n0.000000 0.000000 11.686009\nTb Ga I\n2 2 2\ndirect\n0.000000 0.000000 0.173599 Tb\n0.000000 0.000000 0.826401 Tb\n0.333333 0.666667 0.029870 Ga\n0.666667 0.333333 0.970130 Ga\n0.333333 0.666667 0.654619 I\n0.666667 0.333333 0.345381 I\n",
"nsites": 6,
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"elements": [
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"Ga",
"I"
],
"chemical_system": "Ga-I-Tb",
"density": 6.586089417403817,
"density_atomic": 0.03346537165132762,
"volume": 179.28980626641186,
"volume_molar": 17.995140836157706,
"formula_full": "Tb2 Ga2 I2",
"formula_reduced": "TbGaI",
"formula_anonymous": "ABC",
"energy": -25.430016200000004,
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"total_magnetization": 9.77e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.913000Z",
"spacegroup": 164
},
{
"id": "mp-1208368",
"created_at": "2022-09-04T14:42:14.758319Z",
"structure_string": "Tb2 Ga2 Fe2\n1.0\n2.100856 -3.638790 0.000000\n2.100856 3.638790 0.000000\n0.000000 0.000000 7.412378\nTb Ga Fe\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.000000 0.000000 0.500000 Tb\n0.333333 0.666667 0.250000 Ga\n0.666667 0.333333 0.750000 Ga\n0.333333 0.666667 0.750000 Fe\n0.666667 0.333333 0.250000 Fe\n",
"nsites": 6,
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"density": 8.337011113742767,
"density_atomic": 0.05294322815840194,
"volume": 113.32894137184978,
"volume_molar": 11.374713952051115,
"formula_full": "Tb2 Ga2 Fe2",
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"updated_at": "2021-11-28T01:35:38.740000Z",
"spacegroup": 194
},
{
"id": "mp-1217530",
"created_at": "2022-09-04T14:40:39.421377Z",
"structure_string": "Tb2 Ga2 Au2\n1.0\n2.266275 5.253285 0.000000\n-2.266275 5.253285 0.000000\n0.000000 4.779295 5.354604\nTb Ga Au\n2 2 2\ndirect\n0.536689 0.536689 0.703057 Tb\n0.463311 0.463311 0.296943 Tb\n0.841812 0.841812 0.107075 Ga\n0.158188 0.158188 0.892925 Ga\n0.177780 0.177780 0.282385 Au\n0.822220 0.822220 0.717615 Au\n",
"nsites": 6,
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"elements": [
"Tb",
"Ga",
"Au"
],
"chemical_system": "Au-Ga-Tb",
"density": 11.086514044924796,
"density_atomic": 0.04705982696484835,
"volume": 127.49728137508325,
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"formula_full": "Tb2 Ga2 Au2",
"formula_reduced": "TbGaAu",
"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:35:05.693000Z",
"spacegroup": 12
},
{
"id": "mp-1217528",
"created_at": "2022-09-04T14:40:09.031664Z",
"structure_string": "Tb2 Ga2 Ag2\n1.0\n2.302442 5.242639 0.000000\n-2.302442 5.242639 0.000000\n0.000000 4.863253 5.360435\nTb Ga Ag\n2 2 2\ndirect\n0.464228 0.464228 0.291540 Tb\n0.535772 0.535772 0.708460 Tb\n0.159362 0.159362 0.885378 Ga\n0.840638 0.840638 0.114622 Ga\n0.826806 0.826806 0.722663 Ag\n0.173194 0.173194 0.277337 Ag\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Ga",
"Ag"
],
"chemical_system": "Ag-Ga-Tb",
"density": 8.636083611729369,
"density_atomic": 0.046364178352835426,
"volume": 129.41025190481062,
"volume_molar": 12.98877921263046,
"formula_full": "Tb2 Ga2 Ag2",
"formula_reduced": "TbGaAg",
"formula_anonymous": "ABC",
"energy": -23.89611381,
"energy_per_atom": -3.9826856349999997,
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"updated_at": "2021-11-28T01:34:47.539000Z",
"spacegroup": 12
},
{
"id": "mp-11417",
"created_at": "2022-09-04T14:41:09.912549Z",
"structure_string": "Tb2 Ga2\n1.0\n2.177883 -5.481210 0.000000\n2.177883 5.481210 0.000000\n0.000000 0.000000 4.094672\nTb Ga\n2 2\ndirect\n0.860627 0.139373 0.750000 Tb\n0.139373 0.860627 0.250000 Tb\n0.575629 0.424371 0.750000 Ga\n0.424371 0.575629 0.250000 Ga\n",
"nsites": 4,
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"chemical_system": "Ga-Tb",
"density": 7.767603775336871,
"density_atomic": 0.0409166331785481,
"volume": 97.75975414558626,
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"formula_full": "Tb2 Ga2",
"formula_reduced": "TbGa",
"formula_anonymous": "AB",
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:09.118000Z",
"spacegroup": 63
},
{
"id": "mp-1207034",
"created_at": "2022-09-04T14:48:00.812828Z",
"structure_string": "Tb2 Ga1 Ni2\n1.0\n-4.198606 0.000000 0.000000\n0.000000 -5.331697 0.000000\n2.099303 2.665849 4.131230\nTb Ga Ni\n2 1 2\ndirect\n0.799283 0.299283 0.598566 Tb\n0.200717 0.700717 0.401434 Tb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.267519 0.000000 Ni\n0.500000 0.732481 0.000000 Ni\n",
"nsites": 5,
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"elements": [
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],
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"density": 9.066852439511656,
"density_atomic": 0.05406547805200388,
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"updated_at": "2021-11-28T01:38:31.246000Z",
"spacegroup": 71
},
{
"id": "mp-1207140",
"created_at": "2022-09-04T14:42:02.517797Z",
"structure_string": "Tb2 Ga1 Co2\n1.0\n-4.049716 0.000000 0.000000\n-2.024858 -2.730303 4.195480\n-2.024858 2.730303 4.195480\nTb Ga Co\n2 1 2\ndirect\n0.206859 0.293141 0.293141 Tb\n0.793141 0.706859 0.706859 Tb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.286286 0.713714 Co\n0.500000 0.713714 0.286286 Co\n",
"nsites": 5,
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"spacegroup": 71
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{
"id": "mp-1104458",
"created_at": "2022-09-04T14:40:27.608587Z",
"structure_string": "Tb2 Ga12\n1.0\n6.017784 0.000000 0.000000\n0.000000 6.017784 0.000000\n0.000000 0.000000 7.570965\nTb Ga\n2 12\ndirect\n0.500000 0.000000 0.000000 Tb\n0.000000 0.500000 0.000000 Tb\n0.500000 0.500000 0.160716 Ga\n0.000000 0.000000 0.160716 Ga\n0.000000 0.000000 0.839284 Ga\n0.500000 0.500000 0.839284 Ga\n0.805354 0.694646 0.347410 Ga\n0.305354 0.805354 0.347410 Ga\n0.694646 0.194646 0.347410 Ga\n0.194646 0.305354 0.347410 Ga\n0.694646 0.805354 0.652590 Ga\n0.194646 0.694646 0.652590 Ga\n0.805354 0.305354 0.652590 Ga\n0.305354 0.194646 0.652590 Ga\n",
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"volume": 274.1728389727871,
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"formula_full": "Tb2 Ga12",
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"updated_at": "2021-11-28T01:34:47.212000Z",
"spacegroup": 125
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{
"id": "mp-1208775",
"created_at": "2022-09-04T14:43:16.163559Z",
"structure_string": "Tb2 Ga12\n1.0\n14.555498 0.000000 0.000000\n0.000000 14.555498 0.000000\n0.000000 0.000000 18.114393\nTb Ga\n2 12\ndirect\n0.500000 0.000000 0.000000 Tb\n0.000000 0.500000 0.000000 Tb\n0.874708 0.000000 0.350698 Ga\n0.125292 0.000000 0.350698 Ga\n0.000000 0.874708 0.350698 Ga\n0.000000 0.125292 0.649302 Ga\n0.125292 0.000000 0.649302 Ga\n0.000000 0.125292 0.350698 Ga\n0.000000 0.874708 0.649302 Ga\n0.874708 0.000000 0.649302 Ga\n0.000000 0.500000 0.157768 Ga\n0.500000 0.000000 0.157768 Ga\n0.500000 0.000000 0.842232 Ga\n0.000000 0.500000 0.842232 Ga\n",
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"formula_full": "Tb2 Ga12",
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"formula_anonymous": "AB6",
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"updated_at": "2021-11-28T01:36:12.019000Z",
"spacegroup": 123
},
{
"id": "mp-1208545",
"created_at": "2022-09-04T14:44:44.208078Z",
"structure_string": "Tb2 Fe8 Si4\n1.0\n7.099671 0.000000 0.000000\n0.000000 7.099671 0.000000\n0.000000 0.000000 3.773514\nTb Fe Si\n2 8 4\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Tb\n0.588253 0.150871 0.000000 Fe\n0.411747 0.849129 0.000000 Fe\n0.650871 0.911747 0.500000 Fe\n0.088253 0.349129 0.500000 Fe\n0.349129 0.088253 0.500000 Fe\n0.911747 0.650871 0.500000 Fe\n0.150871 0.588253 0.000000 Fe\n0.849129 0.411747 0.000000 Fe\n0.282025 0.282025 0.000000 Si\n0.717975 0.717975 0.000000 Si\n0.782025 0.217975 0.500000 Si\n0.217975 0.782025 0.500000 Si\n",
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"volume": 190.2052120457437,
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}
]
}