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{
"id": "mp-1215649",
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{
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"spacegroup": 42
},
{
"id": "mp-1722",
"created_at": "2022-09-04T14:45:00.822548Z",
"structure_string": "Zn13 Fe1\n1.0\n3.825136 5.399585 0.000000\n-3.825136 5.399585 0.000000\n0.000000 0.947313 4.976719\nZn Fe\n13 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.385425 0.385425 0.937865 Zn\n0.614575 0.614575 0.062135 Zn\n0.777253 0.777253 0.375546 Zn\n0.222747 0.222747 0.624454 Zn\n0.213515 0.634933 0.313998 Zn\n0.365067 0.786485 0.686002 Zn\n0.786485 0.365067 0.686002 Zn\n0.634933 0.213515 0.313998 Zn\n0.004761 0.643997 0.799630 Zn\n0.356003 0.995239 0.200370 Zn\n0.995239 0.356003 0.200370 Zn\n0.643997 0.004761 0.799630 Zn\n0.000000 0.000000 0.500000 Fe\n",
"nsites": 14,
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"elements": [
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"chemical_system": "Fe-Zn",
"density": 7.319384549334853,
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"formula_full": "Zn13 Fe1",
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"spacegroup": 12
},
{
"id": "mp-1215526",
"created_at": "2022-09-04T14:47:25.711203Z",
"structure_string": "Zn1 Fe3\n1.0\n-1.474543 -1.424814 1.424814\n-1.474543 1.424814 -1.424814\n0.000000 -5.773440 -5.773440\nZn Fe\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.257286 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.742714 Fe\n",
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"formula_full": "Zn1 Fe3",
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"updated_at": "2021-11-28T01:38:12.111000Z",
"spacegroup": 65
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{
"id": "mp-971720",
"created_at": "2022-09-04T14:46:59.546759Z",
"structure_string": "Zn1 Ga3\n1.0\n4.161218 0.000000 0.000000\n0.000000 4.161218 0.000000\n0.000000 0.000000 4.161218\nZn Ga\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n",
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"elements": [
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"volume": 72.05454917858644,
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"formula_full": "Zn1 Ga3",
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"formula_anonymous": "AB3",
"energy": -10.1999355,
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"updated_at": "2021-11-28T01:37:45.547000Z",
"spacegroup": 221
},
{
"id": "mp-1188050",
"created_at": "2022-09-04T14:46:40.448481Z",
"structure_string": "Zn2 Ge6\n1.0\n2.914461 -5.047994 0.000000\n2.914461 5.047994 0.000000\n0.000000 0.000000 5.122765\nZn Ge\n2 6\ndirect\n0.333333 0.666667 0.750000 Zn\n0.666667 0.333333 0.250000 Zn\n0.168421 0.336842 0.250000 Ge\n0.663158 0.831579 0.250000 Ge\n0.168421 0.831579 0.250000 Ge\n0.831579 0.663158 0.750000 Ge\n0.336842 0.168421 0.750000 Ge\n0.831579 0.168421 0.750000 Ge\n",
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"updated_at": "2021-11-28T01:37:45.984000Z",
"spacegroup": 194
},
{
"id": "mp-971753",
"created_at": "2022-09-04T14:40:24.128494Z",
"structure_string": "Zn1 Ge3\n1.0\n4.222363 0.000000 0.000000\n0.000000 4.222363 0.000000\n0.000000 0.000000 4.222363\nZn Ge\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ge\n0.500000 0.000000 0.500000 Ge\n0.500000 0.500000 0.000000 Ge\n",
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"updated_at": "2021-11-28T01:35:06.961000Z",
"spacegroup": 221
},
{
"id": "mp-1207544",
"created_at": "2022-09-04T14:45:13.630186Z",
"structure_string": "Zn8 Ge8\n1.0\n0.000000 -4.301214 0.000000\n-8.122301 0.000000 0.000000\n0.000000 0.000000 -10.988728\nZn Ge\n8 8\ndirect\n0.493177 0.988473 0.882406 Zn\n0.506823 0.011527 0.382406 Zn\n0.506823 0.488473 0.882406 Zn\n0.493177 0.511527 0.382406 Zn\n0.967808 0.761809 0.632850 Zn\n0.032192 0.238191 0.132850 Zn\n0.032192 0.261809 0.632850 Zn\n0.967808 0.738191 0.132850 Zn\n0.988707 0.990078 0.999370 Ge\n0.011293 0.009922 0.499370 Ge\n0.011293 0.490078 0.999370 Ge\n0.988707 0.509922 0.499370 Ge\n0.463506 0.737033 0.751675 Ge\n0.536494 0.262967 0.251675 Ge\n0.536494 0.237033 0.751675 Ge\n0.463506 0.762967 0.251675 Ge\n",
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{
"id": "mp-971928",
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{
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"structure_string": "Zn4 H24\n1.0\n5.255614 0.000000 0.000000\n0.000000 8.808585 0.000000\n0.000000 0.000000 10.711631\nZn H\n4 24\ndirect\n0.788568 0.359896 0.004060 Zn\n0.211432 0.859896 0.995940 Zn\n0.711432 0.359896 0.504060 Zn\n0.288568 0.859896 0.495940 Zn\n0.906718 0.403013 0.404530 H\n0.093282 0.903013 0.595470 H\n0.593282 0.403013 0.904530 H\n0.406718 0.903013 0.095470 H\n0.485193 0.354633 0.165708 H\n0.514807 0.854633 0.834292 H\n0.014807 0.354633 0.665708 H\n0.985193 0.854633 0.334292 H\n0.104929 0.020752 0.984995 H\n0.895071 0.520752 0.015005 H\n0.395071 0.020752 0.484995 H\n0.604929 0.520752 0.515005 H\n0.008251 0.329399 0.093610 H\n0.991749 0.829399 0.906390 H\n0.491749 0.329399 0.593610 H\n0.508251 0.829399 0.406390 H\n0.264618 0.689556 0.000332 H\n0.735382 0.189556 0.999668 H\n0.235382 0.689556 0.500332 H\n0.764618 0.189556 0.499668 H\n0.025231 0.936751 0.327398 H\n0.974769 0.436751 0.672602 H\n0.474769 0.936751 0.827398 H\n0.525231 0.436751 0.172602 H\n",
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{
"id": "mp-971820",
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"structure_string": "Zn2 H2\n1.0\n1.346314 -2.331884 0.000000\n1.346314 2.331884 0.000000\n0.000000 0.000000 6.586469\nZn H\n2 2\ndirect\n0.666667 0.333333 0.823631 Zn\n0.333333 0.666667 0.323631 Zn\n0.333333 0.666667 0.051370 H\n0.666667 0.333333 0.551370 H\n",
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{
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"structure_string": "Zn4 H24\n1.0\n5.759033 0.000000 0.000000\n0.000000 8.197014 0.000000\n0.000000 0.000000 11.853079\nZn H\n4 24\ndirect\n0.138005 0.249271 0.149876 Zn\n0.861995 0.749271 0.850124 Zn\n0.861995 0.249271 0.649876 Zn\n0.138005 0.749271 0.350124 Zn\n0.173615 0.409716 0.085262 H\n0.826385 0.909716 0.914738 H\n0.826385 0.409716 0.585262 H\n0.173615 0.909716 0.414738 H\n0.563532 0.253426 0.125255 H\n0.436468 0.753426 0.874745 H\n0.436468 0.253426 0.625255 H\n0.563532 0.753426 0.374745 H\n0.097551 0.089476 0.215133 H\n0.902449 0.589476 0.784867 H\n0.902449 0.089476 0.715133 H\n0.097551 0.589476 0.284867 H\n0.743860 0.100901 0.451457 H\n0.256140 0.600901 0.548543 H\n0.256140 0.100901 0.951457 H\n0.743860 0.600901 0.048543 H\n0.170406 0.051270 0.985914 H\n0.829594 0.551270 0.014086 H\n0.829594 0.051270 0.485914 H\n0.170406 0.551270 0.514086 H\n0.594036 0.180939 0.161952 H\n0.405964 0.680939 0.838048 H\n0.405964 0.180939 0.661952 H\n0.594036 0.680939 0.338048 H\n",
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]
}