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{
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"results": [
{
"id": "mp-1221898",
"created_at": "2022-09-04T14:39:40.023959Z",
"structure_string": "Mn2 Ge1 Ru1\n1.0\n-2.950966 0.000000 -2.950966\n2.950966 -2.950966 0.000000\n-2.950966 -2.950966 0.000000\nMn Ge Ru\n2 1 1\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Ge\n0.500000 0.750000 0.750000 Ru\n",
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{
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{
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"created_at": "2022-09-04T14:47:10.879206Z",
"structure_string": "Ba2 Cl2 F2\n1.0\n4.461107 0.000000 0.000000\n0.000000 4.461107 0.000000\n0.000000 0.000000 7.348872\nBa Cl F\n2 2 2\ndirect\n0.000000 0.500000 0.794420 Ba\n0.500000 0.000000 0.205580 Ba\n0.500000 0.000000 0.647075 Cl\n0.000000 0.500000 0.352925 Cl\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.000000 F\n",
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"updated_at": "2021-11-28T01:37:57.969000Z",
"spacegroup": 129
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{
"id": "mp-1180489",
"created_at": "2022-09-04T14:39:21.233744Z",
"structure_string": "Li4 N4\n1.0\n-2.330510 2.330510 4.737118\n2.330510 -2.330510 4.737118\n2.330510 2.330510 -4.737118\nLi N\n4 4\ndirect\n0.740146 0.740146 0.000000 Li\n0.259854 0.259854 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.114846 0.634439 0.000000 N\n0.634439 0.114846 0.000000 N\n0.885154 0.885154 0.519592 N\n0.365561 0.365561 0.480408 N\n",
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"formula_full": "Li4 N4",
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"spacegroup": 121
},
{
"id": "mp-1182022",
"created_at": "2022-09-04T14:45:08.835833Z",
"structure_string": "Bi4 Se4\n1.0\n7.639127 0.000000 0.000000\n0.000000 5.774935 0.000000\n0.000000 5.571305 6.148383\nBi Se\n4 4\ndirect\n0.816874 0.629498 0.888949 Bi\n0.683126 0.629498 0.388949 Bi\n0.183126 0.370502 0.111051 Bi\n0.316874 0.370502 0.611051 Bi\n0.849344 0.247684 0.783893 Se\n0.650656 0.247684 0.283893 Se\n0.150656 0.752316 0.216107 Se\n0.349344 0.752316 0.716107 Se\n",
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"formula_full": "Bi4 Se4",
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"energy": -32.97392897,
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"spacegroup": 14
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{
"id": "mp-865529",
"created_at": "2022-09-04T14:48:00.417625Z",
"structure_string": "Ti2 Ni1 Ir1\n1.0\n0.000000 3.063491 3.063491\n3.063491 0.000000 3.063491\n3.063491 3.063491 0.000000\nTi Ni Ir\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 Ti\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ir\n",
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"formula_full": "Ti2 Ni1 Ir1",
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"updated_at": "2021-11-28T01:38:26.573000Z",
"spacegroup": 225
},
{
"id": "mp-1023502",
"created_at": "2022-09-04T14:45:56.604988Z",
"structure_string": "Mg15 Nb1\n1.0\n3.177005 -5.502734 0.000000\n3.177005 5.502734 0.000000\n0.000000 0.000000 10.107574\nMg Nb\n15 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.002169 0.501085 0.500000 Mg\n0.000389 0.500194 0.000000 Mg\n0.498915 0.501085 0.500000 Mg\n0.499806 0.500194 0.000000 Mg\n0.498915 0.997831 0.500000 Mg\n0.499806 0.999611 0.000000 Mg\n0.162493 0.324985 0.254567 Mg\n0.162493 0.324985 0.745433 Mg\n0.162493 0.837507 0.254567 Mg\n0.162493 0.837507 0.745433 Mg\n0.675015 0.837507 0.254567 Mg\n0.675015 0.837507 0.745433 Mg\n0.666667 0.333333 0.250015 Mg\n0.666667 0.333333 0.749985 Mg\n0.000000 0.000000 0.500000 Nb\n",
"nsites": 16,
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"elements": [
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"density": 2.1495580436220147,
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"volume": 353.40553188879693,
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"formula_full": "Mg15 Nb1",
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},
{
"id": "mp-1225284",
"created_at": "2022-09-04T14:39:20.878315Z",
"structure_string": "Fe3 Sn1 Sb1\n1.0\n-2.105602 -3.644936 -0.001059\n-4.211204 0.000000 0.000000\n0.000000 -0.001184 -5.399645\nFe Sn Sb\n3 1 1\ndirect\n0.333477 0.333262 0.338585 Fe\n0.666555 0.666722 0.658129 Fe\n0.999983 0.000009 0.502442 Fe\n0.333232 0.333384 0.821320 Sn\n0.666753 0.666624 0.179525 Sb\n",
"nsites": 5,
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"density": 8.174349741327417,
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"formula_full": "Fe3 Sn1 Sb1",
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{
"id": "mp-863681",
"created_at": "2022-09-04T14:45:20.211731Z",
"structure_string": "Er1 Th1 Tc2\n1.0\n0.000000 3.463821 3.463821\n3.463821 0.000000 3.463821\n3.463821 3.463821 0.000000\nEr Th Tc\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Er\n0.000000 0.000000 0.000000 Th\n0.750000 0.750000 0.750000 Tc\n0.250000 0.250000 0.250000 Tc\n",
"nsites": 4,
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"density": 11.892865761174424,
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{
"id": "mp-1018068",
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"structure_string": "Cr1 Fe2 Si1\n1.0\n0.000000 2.795308 2.795308\n2.795308 0.000000 2.795308\n2.795308 2.795308 0.000000\nCr Fe Si\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n0.500000 0.500000 0.500000 Si\n",
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{
"id": "mp-1028106",
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"structure_string": "Ca1 Mg14 Nb1\n1.0\n6.478161 0.000000 0.000000\n-3.239080 5.610251 -0.000000\n-0.000000 0.000000 10.178507\nCa Mg Nb\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Ca\n0.173160 0.836580 0.125000 Mg\n0.166396 0.833198 0.625000 Mg\n0.663420 0.326840 0.125000 Mg\n0.666802 0.333604 0.625000 Mg\n0.663420 0.836580 0.125000 Mg\n0.666802 0.833198 0.625000 Mg\n0.331431 0.168569 0.387904 Mg\n0.331431 0.168569 0.862096 Mg\n0.331431 0.662864 0.387904 Mg\n0.331431 0.662864 0.862096 Mg\n0.837136 0.168569 0.387904 Mg\n0.837136 0.168569 0.862096 Mg\n0.833333 0.666667 0.371439 Mg\n0.833333 0.666667 0.878561 Mg\n0.166667 0.333333 0.625000 Nb\n",
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{
"id": "mp-1205370",
"created_at": "2022-09-04T14:43:14.533266Z",
"structure_string": "Sn4 Se4\n1.0\n3.045758 0.000000 0.000000\n0.000000 5.744179 0.000000\n0.000000 0.000000 13.132970\nSn Se\n4 4\ndirect\n0.913276 0.500000 0.370242 Sn\n0.913276 0.500000 0.629758 Sn\n0.086724 0.000000 0.870242 Sn\n0.086724 0.000000 0.129758 Sn\n0.030988 0.500000 0.160812 Se\n0.030988 0.500000 0.839188 Se\n0.969012 0.000000 0.660812 Se\n0.969012 0.000000 0.339188 Se\n",
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}
]
}