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{
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"results": [
{
"id": "mp-1022588",
"created_at": "2022-09-04T14:40:38.371391Z",
"structure_string": "Mg12 Zn2 Bi2\n1.0\n5.304098 0.000000 0.000000\n0.000000 6.415510 0.000000\n0.000000 0.000000 10.823090\nMg Zn Bi\n12 2 2\ndirect\n0.500000 0.249437 0.583842 Mg\n0.500000 0.750563 0.583842 Mg\n0.000000 0.257216 0.416645 Mg\n0.000000 0.742784 0.416645 Mg\n0.000000 0.000000 0.668591 Mg\n0.000000 0.000000 0.164471 Mg\n0.500000 0.749437 0.083842 Mg\n0.500000 0.250563 0.083842 Mg\n0.000000 0.757216 0.916645 Mg\n0.000000 0.242784 0.916645 Mg\n0.000000 0.500000 0.168591 Mg\n0.000000 0.500000 0.664471 Mg\n0.500000 0.000000 0.832186 Zn\n0.500000 0.500000 0.332186 Zn\n0.500000 0.000000 0.333783 Bi\n0.500000 0.500000 0.833783 Bi\n",
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{
"id": "mp-23232",
"created_at": "2022-09-04T14:47:58.361483Z",
"structure_string": "Fe2 Br6\n1.0\n6.673860 -3.157973 0.000000\n6.673860 3.157973 0.000000\n5.179553 0.000000 5.261695\nFe Br\n2 6\ndirect\n0.333426 0.333426 0.333426 Fe\n0.666574 0.666574 0.666574 Fe\n0.441405 0.701677 0.071344 Br\n0.701677 0.071344 0.441405 Br\n0.071344 0.441405 0.701677 Br\n0.558595 0.298323 0.928656 Br\n0.298323 0.928656 0.558595 Br\n0.928656 0.558595 0.298323 Br\n",
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"formula_full": "Fe2 Br6",
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"updated_at": "2021-11-28T01:38:28.448000Z",
"spacegroup": 148
},
{
"id": "mp-1026500",
"created_at": "2022-09-04T14:40:21.988649Z",
"structure_string": "Mg14 Ga1 B1\n1.0\n6.231721 -0.134113 0.000000\n-3.232006 5.597998 0.000000\n0.000000 0.000000 9.875948\nMg Ga B\n14 1 1\ndirect\n0.174095 0.337047 0.625000 Mg\n0.174581 0.837290 0.625000 Mg\n0.745263 0.365186 0.125000 Mg\n0.660242 0.328600 0.625000 Mg\n0.745263 0.880076 0.125000 Mg\n0.660242 0.831642 0.625000 Mg\n0.312090 0.170907 0.336200 Mg\n0.312090 0.170907 0.913800 Mg\n0.312090 0.641184 0.336200 Mg\n0.312090 0.641184 0.913800 Mg\n0.824624 0.162313 0.374281 Mg\n0.824624 0.162313 0.875719 Mg\n0.826281 0.663141 0.379294 Mg\n0.826281 0.663141 0.870706 Mg\n0.182005 0.841002 0.125000 Ga\n0.108138 0.304069 0.125000 B\n",
"nsites": 16,
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"elements": [
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"chemical_system": "B-Ga-Mg",
"density": 2.053711375971553,
"density_atomic": 0.0470251765317364,
"volume": 340.2432734984398,
"volume_molar": 12.806205535317389,
"formula_full": "Mg14 Ga1 B1",
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"formula_anonymous": "ABC14",
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"updated_at": "2021-11-28T01:34:48.575000Z",
"spacegroup": 38
},
{
"id": "mp-1220677",
"created_at": "2022-09-04T14:47:36.765292Z",
"structure_string": "Nb2 Ru1\n1.0\n0.000000 2.329654 6.622188\n1.643766 0.000000 6.622188\n1.643766 2.329654 0.000000\nNb Ru\n2 1\ndirect\n0.339595 0.339595 0.660405 Nb\n0.660405 0.660405 0.339595 Nb\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 3,
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"density": 9.392703835709007,
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"volume": 50.71809341022112,
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"formula_full": "Nb2 Ru1",
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"updated_at": "2021-11-28T01:38:13.284000Z",
"spacegroup": 69
},
{
"id": "mp-1187792",
"created_at": "2022-09-04T14:40:36.307398Z",
"structure_string": "Tl6 S3\n1.0\n3.647077 -6.316923 0.000000\n3.647077 6.316923 0.000000\n0.000000 0.000000 6.264771\nTl S\n6 3\ndirect\n0.036772 0.706122 0.081568 Tl\n0.669350 0.963228 0.081568 Tl\n0.293878 0.330650 0.081568 Tl\n0.375696 0.039905 0.608475 Tl\n0.664209 0.624304 0.608475 Tl\n0.960095 0.335791 0.608475 Tl\n0.000000 0.000000 0.393640 S\n0.333333 0.666667 0.384623 S\n0.666667 0.333333 0.253603 S\n",
"nsites": 9,
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"elements": [
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"density": 7.607769722849851,
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"volume": 288.6594048949101,
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"formula_full": "Tl6 S3",
"formula_reduced": "Tl2S",
"formula_anonymous": "AB2",
"energy": -31.17329776,
"energy_per_atom": -3.463699751111111,
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"updated_at": "2021-11-28T01:35:07.293000Z",
"spacegroup": 143
},
{
"id": "mp-1110729",
"created_at": "2022-09-04T14:42:15.027699Z",
"structure_string": "Rb3 Sb1 Br6\n1.0\n0.000000 6.071860 6.071860\n6.071860 0.000000 6.071860\n6.071860 6.071860 0.000000\nRb Sb Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Sb\n0.768396 0.231604 0.231604 Br\n0.231604 0.231604 0.768396 Br\n0.231604 0.768396 0.768396 Br\n0.231604 0.768396 0.231604 Br\n0.768396 0.231604 0.768396 Br\n0.768396 0.768396 0.231604 Br\n",
"nsites": 10,
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"elements": [
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"Sb",
"Br"
],
"chemical_system": "Br-Rb-Sb",
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"density_atomic": 0.022335966838082356,
"volume": 447.7084010955017,
"volume_molar": 26.961630108316495,
"formula_full": "Rb3 Sb1 Br6",
"formula_reduced": "Rb3SbBr6",
"formula_anonymous": "AB3C6",
"energy": -32.8677617,
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"updated_at": "2021-11-28T01:35:44.414000Z",
"spacegroup": 225
},
{
"id": "mp-1205829",
"created_at": "2022-09-04T14:40:13.888489Z",
"structure_string": "Tb3 Mg3 Ag3\n1.0\n3.875681 -6.712876 0.000000\n3.875681 6.712876 0.000000\n0.000000 0.000000 4.133754\nTb Mg Ag\n3 3 3\ndirect\n0.589271 0.000000 0.000000 Tb\n0.000000 0.589271 0.000000 Tb\n0.410729 0.410729 0.000000 Tb\n0.247375 0.000000 0.500000 Mg\n0.000000 0.247375 0.500000 Mg\n0.752625 0.752625 0.500000 Mg\n0.333333 0.666667 0.500000 Ag\n0.666667 0.333333 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 9,
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"density_atomic": 0.0418418845403148,
"volume": 215.09547428076448,
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"formula_full": "Tb3 Mg3 Ag3",
"formula_reduced": "TbMgAg",
"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:34:52.060000Z",
"spacegroup": 189
},
{
"id": "mp-21484",
"created_at": "2022-09-04T14:46:05.110163Z",
"structure_string": "Pu1 Ge3\n1.0\n4.272764 0.000000 0.000000\n0.000000 4.272764 0.000000\n0.000000 0.000000 4.272764\nPu Ge\n1 3\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.000000 0.500000 Ge\n0.000000 0.500000 0.500000 Ge\n0.500000 0.500000 0.000000 Ge\n",
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],
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"density": 9.833070353657455,
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"volume": 78.00576809242186,
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"formula_full": "Pu1 Ge3",
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"updated_at": "2021-11-28T01:37:21.491000Z",
"spacegroup": 221
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{
"id": "mp-20024",
"created_at": "2022-09-04T14:44:14.957660Z",
"structure_string": "La2 Cu2 Sn2\n1.0\n2.305446 -3.993150 0.000000\n2.305446 3.993150 0.000000\n0.000000 0.000000 8.228179\nLa Cu Sn\n2 2 2\ndirect\n0.000000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.666667 0.333333 0.750000 Cu\n0.333333 0.666667 0.250000 Cu\n0.333333 0.666667 0.750000 Sn\n0.666667 0.333333 0.250000 Sn\n",
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{
"id": "mp-571016",
"created_at": "2022-09-04T14:42:01.308158Z",
"structure_string": "K2 Sn2 Se4\n1.0\n-4.120312 4.120312 3.598762\n4.120312 -4.120312 3.598762\n4.120312 4.120312 -3.598762\nK Sn Se\n2 2 4\ndirect\n0.704736 0.704736 0.000000 K\n0.204736 0.204736 0.000000 K\n0.186408 0.686408 0.500000 Sn\n0.686408 0.186408 0.500000 Sn\n0.257330 0.757330 0.138803 Se\n0.618527 0.118527 0.861197 Se\n0.118527 0.257330 0.500000 Se\n0.757330 0.618527 0.500000 Se\n",
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"formula_full": "K2 Sn2 Se4",
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},
{
"id": "mp-1112626",
"created_at": "2022-09-04T14:48:11.430321Z",
"structure_string": "Cs2 K1 Au1 Cl6\n1.0\n0.000000 5.542724 5.542724\n5.542724 0.000000 5.542724\n5.542724 5.542724 0.000000\nCs K Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Au\n0.772266 0.227734 0.227734 Cl\n0.227734 0.227734 0.772266 Cl\n0.227734 0.772266 0.772266 Cl\n0.227734 0.772266 0.227734 Cl\n0.772266 0.227734 0.772266 Cl\n0.772266 0.772266 0.227734 Cl\n",
"nsites": 10,
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"elements": [
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"Au",
"Cl"
],
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"density_atomic": 0.029362987757183094,
"volume": 340.56479819747534,
"volume_molar": 20.50929152646191,
"formula_full": "Cs2 K1 Au1 Cl6",
"formula_reduced": "Cs2KAuCl6",
"formula_anonymous": "ABC2D6",
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{
"id": "mp-865048",
"created_at": "2022-09-04T14:39:08.744954Z",
"structure_string": "Ti1 Zn1 Ir2\n1.0\n0.000000 3.067706 3.067706\n3.067706 0.000000 3.067706\n3.067706 3.067706 0.000000\nTi Zn Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Zn\n0.750000 0.750000 0.750000 Ir\n0.250000 0.250000 0.250000 Ir\n",
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"volume": 57.739258586327054,
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"formula_full": "Ti1 Zn1 Ir2",
"formula_reduced": "TiZnIr2",
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}
]
}