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{
"id": "mp-1096192",
"created_at": "2022-09-04T14:46:08.528655Z",
"structure_string": "Li1 Mg1 In2\n1.0\n-5.750608 5.890271 8.360420\n5.750608 -5.890271 8.360420\n5.750608 5.890271 -8.360420\nLi Mg In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Mg\n0.000000 0.245239 0.245239 In\n0.000000 0.754761 0.754761 In\n",
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{
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"volume": 2832.201859475577,
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"formula_full": "Fe2 Bi2 O6",
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"updated_at": "2021-11-28T01:37:03.859000Z",
"spacegroup": 9
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{
"id": "mp-1093890",
"created_at": "2022-09-04T14:39:08.056701Z",
"structure_string": "Li2 Tl1 Cd1\n1.0\n-5.758943 5.879143 8.366931\n5.758943 -5.879143 8.366931\n5.758943 5.879143 -8.366931\nLi Tl Cd\n2 1 1\ndirect\n0.000000 0.251342 0.251342 Li\n0.000000 0.748658 0.748658 Li\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"elements": [
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"Cd"
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"density_atomic": 0.0035300187215037567,
"volume": 1133.1384662730727,
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"formula_full": "Li2 Tl1 Cd1",
"formula_reduced": "Li2TlCd",
"formula_anonymous": "ABC2",
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"energy_per_atom": -0.9197019625,
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"updated_at": "2021-11-28T01:34:26.208000Z",
"spacegroup": 71
},
{
"id": "mp-1096167",
"created_at": "2022-09-04T14:42:06.716822Z",
"structure_string": "Li1 Sc1 In2\n1.0\n-5.735714 5.907965 8.360791\n5.735714 -5.907965 8.360791\n5.735714 5.907965 -8.360791\nLi Sc In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Sc\n0.000000 0.243980 0.243980 In\n0.000000 0.756020 0.756020 In\n",
"nsites": 4,
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"elements": [
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"density": 0.41252047538651787,
"density_atomic": 0.0035296141433272025,
"volume": 1133.2683510355007,
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"formula_full": "Li1 Sc1 In2",
"formula_reduced": "LiScIn2",
"formula_anonymous": "ABC2",
"energy": -7.67766477,
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"updated_at": "2021-11-28T01:35:31.841000Z",
"spacegroup": 71
},
{
"id": "mp-1096201",
"created_at": "2022-09-04T14:47:27.299145Z",
"structure_string": "Mg2 Cd1 Ir1\n1.0\n-5.388597 6.264214 8.405292\n5.388597 -6.264214 8.405292\n5.388597 6.264214 -8.405292\nMg Cd Ir\n2 1 1\ndirect\n0.000000 0.267390 0.267390 Mg\n0.000000 0.732610 0.732610 Mg\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
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"elements": [
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"density": 0.516846318425487,
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"volume": 1134.8934449113526,
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"formula_full": "Mg2 Cd1 Ir1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:38:08.982000Z",
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{
"id": "mp-1096099",
"created_at": "2022-09-04T14:47:05.578086Z",
"structure_string": "Li1 Tl1 Ag2\n1.0\n-5.507559 6.036578 8.534351\n5.507559 -6.036578 8.534351\n5.507559 6.036578 -8.534351\nLi Tl Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Tl\n0.000000 0.237657 0.237657 Ag\n0.000000 0.762343 0.762343 Ag\n",
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"Tl",
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"volume": 1134.9597673770581,
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"formula_full": "Li1 Tl1 Ag2",
"formula_reduced": "LiTlAg2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:51.689000Z",
"spacegroup": 71
},
{
"id": "mp-1096234",
"created_at": "2022-09-04T14:39:32.352559Z",
"structure_string": "Ti2 V1 Tc1\n1.0\n-4.838829 6.687334 8.776054\n4.838829 -6.687334 8.776054\n4.838829 6.687334 -8.776054\nTi V Tc\n2 1 1\ndirect\n0.000000 0.278919 0.278919 Ti\n0.000000 0.721081 0.721081 Ti\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.500000 Tc\n",
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"volume": 1135.9326107629554,
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"formula_full": "Ti2 V1 Tc1",
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"updated_at": "2021-11-28T01:34:37.419000Z",
"spacegroup": 71
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{
"id": "mp-1096316",
"created_at": "2022-09-04T14:44:25.828628Z",
"structure_string": "La2 Al1 In1\n1.0\n5.892396 9.981003 0.000000\n-5.892396 9.981003 0.000000\n0.000000 6.775382 9.662764\nLa Al In\n2 1 1\ndirect\n0.755926 0.244074 0.000000 La\n0.244074 0.755926 0.000000 La\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 In\n",
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"formula_full": "La2 Al1 In1",
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"updated_at": "2021-11-28T01:36:41.035000Z",
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{
"id": "mp-1247838",
"created_at": "2022-09-04T14:45:53.321756Z",
"structure_string": "Al4 Se6\n1.0\n24.880681 0.019323 0.054757\n12.445726 7.316565 0.067552\n8.330696 0.098343 15.663395\nAl Se\n4 6\ndirect\n0.785855 0.353290 0.607830 Al\n0.947014 0.666284 0.159815 Al\n0.133989 0.318524 0.607755 Al\n0.472558 0.328093 0.607674 Al\n0.992734 0.666910 0.020937 Se\n0.420470 0.320258 0.745695 Se\n0.600034 0.666586 0.199626 Se\n0.759763 0.327185 0.745783 Se\n0.646837 0.666451 0.059485 Se\n0.074078 0.353086 0.745401 Se\n",
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"volume": 2844.1901468546585,
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{
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{
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{
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"structure_string": "Y1 Zr1 Au2\n1.0\n-5.502431 5.994192 8.630707\n5.502431 -5.994192 8.630707\n5.502431 5.994192 -8.630707\nY Zr Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Zr\n0.000000 0.251179 0.251179 Au\n0.000000 0.748821 0.748821 Au\n",
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"formula_full": "Y1 Zr1 Au2",
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"updated_at": "2021-11-28T01:36:10.806000Z",
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}
]
}