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{
"id": "jvasp-94240",
"created_at": "2022-09-04T14:35:41.123826Z",
"updated_at": "2022-09-04T14:35:41.123854Z",
"structure_string": "Mg6 Ga1 Fe1\n1.0\n6.098284 -0.029941 0.000000\n-3.075072 5.326180 0.000000\n0.000000 0.000000 4.800240\nMg Ga Fe\n6 1 1\ndirect\n0.667606 0.332247 0.250000 Mg\n0.667607 0.835360 0.250000 Mg\n0.324361 0.171323 0.750000 Mg\n0.324361 0.653040 0.750000 Mg\n0.848331 0.174166 0.750000 Mg\n0.838296 0.669149 0.750000 Mg\n0.164841 0.832420 0.250000 Ga\n0.164598 0.332298 0.250000 Fe\n",
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{
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"created_at": "2022-09-04T14:37:14.728935Z",
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"structure_string": "Hf2 Cu4 Te6\n1.0\n4.008784 -0.000000 -0.805014\n-0.189083 7.250100 -0.941588\n0.002955 -0.073299 10.398642\nHf Cu Te\n2 4 6\ndirect\n0.645792 0.055809 0.291585 Hf\n0.354209 0.944191 0.708415 Hf\n0.712762 0.428335 0.425525 Cu\n0.287239 0.571665 0.574475 Cu\n0.048101 0.150443 0.096201 Cu\n0.951900 0.849557 0.903799 Cu\n0.751123 0.786906 0.502245 Te\n0.916981 0.179729 0.833963 Te\n0.582691 0.366933 0.165383 Te\n0.248878 0.213094 0.497755 Te\n0.417310 0.633067 0.834617 Te\n0.083019 0.820270 0.166037 Te\n",
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"formula_full": "Hf2 Cu4 Te6",
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"spacegroup": 12
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{
"id": "jvasp-94238",
"created_at": "2022-09-04T14:36:16.966443Z",
"updated_at": "2022-09-04T14:36:16.966465Z",
"structure_string": "Mg6 Fe1 W1\n1.0\n6.168439 -0.180893 0.000000\n-3.240877 5.251578 0.000000\n0.000000 0.000000 4.657800\nMg Fe W\n6 1 1\ndirect\n0.179940 0.843324 0.250000 Mg\n0.656676 0.320060 0.250000 Mg\n0.673156 0.826845 0.250000 Mg\n0.319755 0.665482 0.750000 Mg\n0.834518 0.180246 0.750000 Mg\n0.829852 0.670149 0.750000 Mg\n0.198447 0.301553 0.250000 Fe\n0.307658 0.192342 0.750000 W\n",
"nsites": 8,
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"elements": [
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"density": 4.320918678600171,
"density_atomic": 0.0539977547001508,
"volume": 148.1543083490036,
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"formula_full": "Mg6 Fe1 W1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-94237",
"created_at": "2022-09-04T14:36:13.465107Z",
"updated_at": "2022-09-04T14:36:13.465135Z",
"structure_string": "Mg6 Cr1 Fe1\n1.0\n6.057790 0.033571 0.000000\n-2.999823 5.262986 0.000000\n0.000000 0.000000 4.846071\nMg Cr Fe\n6 1 1\ndirect\n0.167245 0.851830 0.250000 Mg\n0.648170 0.332756 0.250000 Mg\n0.662316 0.837685 0.250000 Mg\n0.326779 0.642643 0.750000 Mg\n0.857357 0.173222 0.750000 Mg\n0.835824 0.664176 0.750000 Mg\n0.332484 0.167516 0.750000 Cr\n0.169826 0.330175 0.250000 Fe\n",
"nsites": 8,
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"elements": [
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"Fe"
],
"chemical_system": "Cr-Fe-Mg",
"density": 2.717779560632228,
"density_atomic": 0.05161597383205029,
"volume": 154.9907791342009,
"volume_molar": 11.66720360560286,
"formula_full": "Mg6 Cr1 Fe1",
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"spacegroup": 38
},
{
"id": "jvasp-94236",
"created_at": "2022-09-04T14:36:09.897195Z",
"updated_at": "2022-09-04T14:36:09.897216Z",
"structure_string": "Mg6 Fe1 C1\n1.0\n6.072016 -1.250959 0.000000\n-4.119371 7.134957 0.000000\n0.000000 0.000000 3.726017\nMg Fe C\n6 1 1\ndirect\n0.786665 0.394269 0.250000 Mg\n0.786666 0.892396 0.250000 Mg\n0.269124 0.063295 0.750001 Mg\n0.269124 0.705830 0.750001 Mg\n0.898562 0.199281 0.750001 Mg\n0.701522 0.600761 0.750001 Mg\n0.289489 0.394744 0.250000 Fe\n0.998854 0.749426 0.250000 C\n",
"nsites": 8,
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"elements": [
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],
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"density": 2.494898682282697,
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"volume": 142.2235922218349,
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"formula_full": "Mg6 Fe1 C1",
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"spacegroup": 38
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{
"id": "jvasp-94235",
"created_at": "2022-09-04T14:36:06.184906Z",
"updated_at": "2022-09-04T14:36:06.184917Z",
"structure_string": "Mg6 V1 Fe1\n1.0\n6.120377 0.161971 0.000000\n-2.919917 5.057443 0.000000\n0.000000 0.000000 4.793286\nMg V Fe\n6 1 1\ndirect\n0.653503 0.327315 0.250000 Mg\n0.653502 0.826185 0.250000 Mg\n0.327864 0.163577 0.750001 Mg\n0.327864 0.664286 0.750001 Mg\n0.868646 0.184323 0.750001 Mg\n0.855183 0.677592 0.750001 Mg\n0.152113 0.826056 0.250000 V\n0.161323 0.330660 0.250000 Fe\n",
"nsites": 8,
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"elements": [
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"V",
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],
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"density": 2.7847283662225326,
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"formula_full": "Mg6 V1 Fe1",
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"spacegroup": 38
},
{
"id": "jvasp-94234",
"created_at": "2022-09-04T14:36:01.242233Z",
"updated_at": "2022-09-04T14:36:01.242252Z",
"structure_string": "Mg6 Cr1 Fe1\n1.0\n6.005342 0.175595 0.000000\n-2.850601 4.937384 0.000000\n0.000000 0.000000 4.713766\nMg Cr Fe\n6 1 1\ndirect\n0.653900 0.327307 0.250000 Mg\n0.653900 0.826593 0.250000 Mg\n0.327792 0.164009 0.750001 Mg\n0.327792 0.663784 0.750001 Mg\n0.870940 0.185472 0.750001 Mg\n0.861819 0.680910 0.750001 Mg\n0.149377 0.824687 0.250000 Cr\n0.154480 0.327241 0.250000 Fe\n",
"nsites": 8,
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"elements": [
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],
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"density": 2.9637872480870446,
"density_atomic": 0.05628814318017694,
"volume": 142.12584654626463,
"volume_molar": 10.698773169197068,
"formula_full": "Mg6 Cr1 Fe1",
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"spacegroup": 38
},
{
"id": "jvasp-94233",
"created_at": "2022-09-04T14:35:57.343812Z",
"updated_at": "2022-09-04T14:35:57.343828Z",
"structure_string": "Mg6 Cd1 Fe1\n1.0\n6.150779 0.023472 0.000000\n-3.055062 5.338466 0.000000\n0.000000 0.000000 4.883823\nMg Cd Fe\n6 1 1\ndirect\n0.166146 0.836395 0.250000 Mg\n0.663606 0.333854 0.250000 Mg\n0.665213 0.834788 0.250000 Mg\n0.328876 0.645832 0.749999 Mg\n0.854169 0.171124 0.749999 Mg\n0.834910 0.665091 0.749999 Mg\n0.330381 0.169619 0.749999 Cd\n0.156701 0.343300 0.250000 Fe\n",
"nsites": 8,
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"elements": [
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"Cd",
"Fe"
],
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"density": 3.245217093410348,
"density_atomic": 0.04977784209427706,
"volume": 160.71407806004024,
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"formula_full": "Mg6 Cd1 Fe1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-94231",
"created_at": "2022-09-04T14:35:53.359439Z",
"updated_at": "2022-09-04T14:35:53.359458Z",
"structure_string": "Mg6 Ga1 Fe1\n1.0\n6.095578 0.020930 0.000000\n-3.029664 5.289389 0.000000\n0.000000 0.000000 4.801046\nMg Ga Fe\n6 1 1\ndirect\n0.168098 0.841227 0.250000 Mg\n0.658774 0.331902 0.250000 Mg\n0.665572 0.834429 0.250000 Mg\n0.327997 0.646660 0.750001 Mg\n0.853341 0.172004 0.750001 Mg\n0.834213 0.665788 0.750001 Mg\n0.322691 0.177309 0.750001 Ga\n0.169315 0.330685 0.250000 Fe\n",
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],
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"formula_full": "Mg6 Ga1 Fe1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-94230",
"created_at": "2022-09-04T14:35:49.678894Z",
"updated_at": "2022-09-04T14:35:49.678928Z",
"structure_string": "Na1 Mg6 Co1\n1.0\n7.092819 -1.904137 0.000000\n-5.200881 8.959866 0.000000\n0.000000 0.000000 3.205962\nNa Mg Co\n1 6 1\ndirect\n0.249943 0.874970 0.250000 Na\n0.750069 0.375044 0.250000 Mg\n0.750062 0.875029 0.250000 Mg\n0.249625 0.171321 0.749999 Mg\n0.250450 0.578711 0.749999 Mg\n0.842975 0.171300 0.749999 Mg\n0.656942 0.578661 0.749999 Mg\n0.249938 0.374965 0.250000 Co\n",
"nsites": 8,
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"formula_full": "Na1 Mg6 Co1",
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"spacegroup": 123
},
{
"id": "jvasp-9423",
"created_at": "2022-09-04T14:36:42.299687Z",
"updated_at": "2022-09-04T14:36:42.299738Z",
"structure_string": "Li4 Ga4 S8\n1.0\n6.262687 0.000000 0.000000\n0.000000 6.552438 0.000000\n0.000000 0.000000 7.834132\nLi Ga S\n4 4 8\ndirect\n0.619134 0.585698 0.122551 Li\n0.119134 0.914302 0.622551 Li\n0.619134 0.085698 0.377449 Li\n0.119134 0.414302 0.877449 Li\n0.622114 0.574638 0.625856 Ga\n0.122114 0.425363 0.374144 Ga\n0.122114 0.925363 0.125856 Ga\n0.622114 0.074637 0.874144 Ga\n0.990487 0.069513 0.880841 S\n0.990487 0.569513 0.619158 S\n0.490487 0.930488 0.119159 S\n0.490487 0.430487 0.380841 S\n0.504475 0.907815 0.633234 S\n0.004475 0.092186 0.366766 S\n0.004475 0.592186 0.133234 S\n0.504475 0.407815 0.866766 S\n",
"nsites": 16,
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"formula_full": "Li4 Ga4 S8",
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},
{
"id": "jvasp-94227",
"created_at": "2022-09-04T14:35:46.452828Z",
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"structure_string": "Mg6 Fe1 Bi1\n1.0\n6.304929 -0.086357 0.000000\n-3.227252 5.589765 0.000000\n0.000000 0.000000 4.944710\nMg Fe Bi\n6 1 1\ndirect\n0.672632 0.331789 0.250000 Mg\n0.672632 0.840841 0.250000 Mg\n0.327411 0.187417 0.750000 Mg\n0.327411 0.639993 0.750000 Mg\n0.846062 0.173031 0.750000 Mg\n0.815191 0.657596 0.750000 Mg\n0.170661 0.335329 0.250000 Fe\n0.168000 0.833998 0.250000 Bi\n",
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}
]
}