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{
"id": "mp-1227998",
"created_at": "2022-09-04T14:44:17.285707Z",
"structure_string": "Al1 Si1 C1 N1\n1.0\n1.554759 -2.692921 0.000000\n1.554759 2.692921 0.000000\n0.000000 0.000000 5.055804\nAl Si C N\n1 1 1 1\ndirect\n0.333333 0.666667 0.507161 Al\n0.666667 0.333333 0.997310 Si\n0.333333 0.666667 0.108605 C\n0.666667 0.333333 0.636924 N\n",
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{
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{
"id": "mp-1173039",
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"structure_string": "In4 As2 Se2\n1.0\n-3.200368 3.200368 6.438779\n3.200368 -3.200368 6.438779\n3.200368 3.200368 -6.438779\nIn As Se\n4 2 2\ndirect\n0.375000 0.364210 0.489210 In\n0.875000 0.885790 0.510790 In\n0.114210 0.625000 0.989210 In\n0.635790 0.125000 0.010790 In\n0.750000 0.250000 0.500000 As\n0.000000 0.000000 0.000000 As\n0.250000 0.750000 0.500000 Se\n0.500000 0.500000 0.000000 Se\n",
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"elements": [
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"volume": 263.793049777064,
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"formula_full": "In4 As2 Se2",
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"spacegroup": 122
},
{
"id": "mp-1213940",
"created_at": "2022-09-04T14:43:37.051905Z",
"structure_string": "Ce2 Cd1 As2 O1\n1.0\n3.228643 0.000000 0.000000\n0.000000 3.228643 0.000000\n0.000000 0.000000 15.008612\nCe Cd As O\n2 1 2 1\ndirect\n0.500000 0.500000 0.637060 Ce\n0.500000 0.500000 0.362940 Ce\n0.500000 0.500000 0.000000 Cd\n0.500000 0.500000 0.170019 As\n0.500000 0.500000 0.829981 As\n0.500000 0.500000 0.500000 O\n",
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"updated_at": "2021-11-28T01:36:18.219000Z",
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{
"id": "mp-1183285",
"created_at": "2022-09-04T14:47:03.504417Z",
"structure_string": "Ba1 Ca1 O3\n1.0\n4.464426 0.000000 0.000000\n0.000000 4.464426 0.000000\n0.000000 0.000000 4.464426\nBa Ca O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"formula_full": "Ba1 Ca1 O3",
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"energy": -30.16841934,
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"updated_at": "2021-11-28T01:37:51.915000Z",
"spacegroup": 221
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{
"id": "mp-998350",
"created_at": "2022-09-04T14:43:47.473742Z",
"structure_string": "Ba1 Zr1 Se3\n1.0\n5.287383 0.000000 0.000000\n0.003576 5.296392 0.000000\n0.007950 0.010054 5.309462\nBa Zr Se\n1 1 3\ndirect\n0.998643 0.998478 0.998673 Ba\n0.476578 0.490069 0.476727 Zr\n0.488317 0.998506 0.502693 Se\n0.983845 0.511636 0.518540 Se\n0.492614 0.501310 0.993370 Se\n",
"nsites": 5,
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"volume": 148.68645536701626,
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"formula_full": "Ba1 Zr1 Se3",
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"formula_anonymous": "ABC3",
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"updated_at": "2021-11-28T01:36:20.837000Z",
"spacegroup": 1
},
{
"id": "mp-1217020",
"created_at": "2022-09-04T14:47:22.483539Z",
"structure_string": "Ti1 Al1 Fe2\n1.0\n2.931225 0.000000 0.000000\n0.000000 2.931225 0.000000\n0.000000 0.000000 5.757742\nTi Al Fe\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.248181 Fe\n0.500000 0.500000 0.751819 Fe\n",
"nsites": 4,
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"updated_at": "2021-11-28T01:38:05.549000Z",
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{
"id": "mp-3657",
"created_at": "2022-09-04T14:48:26.120417Z",
"structure_string": "Ti1 Co2 Si1\n1.0\n0.000000 2.876298 2.876298\n2.876298 0.000000 2.876298\n2.876298 2.876298 0.000000\nTi Co Si\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.750000 Co\n0.000000 0.000000 0.000000 Si\n",
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{
"id": "mp-1028030",
"created_at": "2022-09-04T14:45:37.169168Z",
"structure_string": "Y1 Mg14 Cd1\n1.0\n6.470032 0.017217 0.000000\n-3.220105 5.577386 0.000000\n0.000000 0.000000 10.395661\nY Mg Cd\n1 14 1\ndirect\n0.163784 0.331892 0.125000 Y\n0.167058 0.333529 0.625000 Mg\n0.166095 0.833047 0.625000 Mg\n0.661661 0.323051 0.125000 Mg\n0.666659 0.334223 0.625000 Mg\n0.661661 0.838608 0.125000 Mg\n0.666659 0.832435 0.625000 Mg\n0.334182 0.166133 0.378436 Mg\n0.334182 0.166133 0.871564 Mg\n0.334182 0.668050 0.378436 Mg\n0.334182 0.668050 0.871564 Mg\n0.832027 0.166014 0.379840 Mg\n0.832027 0.166014 0.870160 Mg\n0.833783 0.666892 0.370930 Mg\n0.833783 0.666892 0.879070 Mg\n0.178074 0.839037 0.125000 Cd\n",
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"density": 2.3936533289626154,
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"volume": 375.71276989036363,
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"formula_full": "Y1 Mg14 Cd1",
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{
"id": "mp-998241",
"created_at": "2022-09-04T14:40:07.936129Z",
"structure_string": "Mn1 In1 F3\n1.0\n4.309147 0.000000 0.000000\n0.005271 4.311108 0.000000\n0.035720 0.015022 4.313047\nMn In F\n1 1 3\ndirect\n0.487477 0.498510 0.494937 Mn\n0.996044 0.996466 0.990614 In\n0.482761 0.999274 0.499290 F\n0.986600 0.505561 0.508586 F\n0.487118 0.500184 0.996575 F\n",
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{
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{
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"structure_string": "Mn1 In1 F3\n1.0\n-0.006733 -4.307643 -0.057628\n-4.308850 0.003931 -0.025375\n0.017780 0.036710 -4.309507\nMn In F\n1 1 3\ndirect\n0.488249 0.498562 0.495029 Mn\n0.994926 0.996346 0.990508 In\n0.482817 0.999331 0.499761 F\n0.987352 0.505279 0.508084 F\n0.486656 0.500476 0.996621 F\n",
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"formula_full": "Mn1 In1 F3",
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}
]
}