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"results": [
{
"id": "mp-1228367",
"created_at": "2022-09-04T14:41:53.079507Z",
"structure_string": "Ba2 I1 Br1 F2\n1.0\n4.623364 0.000000 0.000000\n0.000000 4.623364 0.000000\n0.000000 0.000000 7.991386\nBa I Br F\n2 1 1 2\ndirect\n0.500000 0.500000 0.827396 Ba\n0.000000 0.000000 0.185191 Ba\n0.000000 0.000000 0.641387 I\n0.500000 0.500000 0.340098 Br\n0.500000 0.000000 0.002964 F\n0.000000 0.500000 0.002964 F\n",
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{
"id": "mp-976806",
"created_at": "2022-09-04T14:41:25.888309Z",
"structure_string": "Ni2 Au6\n1.0\n2.834867 -4.910133 0.000000\n2.834867 4.910133 0.000000\n0.000000 0.000000 4.688897\nNi Au\n2 6\ndirect\n0.666667 0.333333 0.250000 Ni\n0.333333 0.666667 0.750000 Ni\n0.830076 0.660153 0.750000 Au\n0.339847 0.169924 0.750000 Au\n0.830076 0.169924 0.750000 Au\n0.660153 0.830076 0.250000 Au\n0.169924 0.830076 0.250000 Au\n0.169924 0.339847 0.250000 Au\n",
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"formula_full": "Ni2 Au6",
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"updated_at": "2021-11-28T01:35:19.467000Z",
"spacegroup": 194
},
{
"id": "mp-1114103",
"created_at": "2022-09-04T14:40:55.417059Z",
"structure_string": "Rb3 Tl1 Br6\n1.0\n0.000000 6.025625 6.025625\n6.025625 0.000000 6.025625\n6.025625 6.025625 0.000000\nRb Tl 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 Tl\n0.769458 0.230542 0.230542 Br\n0.230542 0.230542 0.769458 Br\n0.230542 0.769458 0.769458 Br\n0.230542 0.769458 0.230542 Br\n0.769458 0.230542 0.769458 Br\n0.769458 0.769458 0.230542 Br\n",
"nsites": 10,
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"elements": [
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"density": 3.568107994515877,
"density_atomic": 0.022854077918153446,
"volume": 437.558672715332,
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"formula_full": "Rb3 Tl1 Br6",
"formula_reduced": "Rb3TlBr6",
"formula_anonymous": "AB3C6",
"energy": -30.48582099,
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"updated_at": "2021-11-28T01:34:59.760000Z",
"spacegroup": 225
},
{
"id": "mp-1026614",
"created_at": "2022-09-04T14:43:22.707347Z",
"structure_string": "Cs1 Mg14 W1\n1.0\n6.426145 -0.080115 0.000000\n-3.282455 5.685378 0.000000\n0.000000 0.000000 10.438394\nCs Mg W\n1 14 1\ndirect\n0.156796 0.328398 0.125000 Cs\n0.173451 0.336725 0.625000 Mg\n0.167133 0.833566 0.625000 Mg\n0.660634 0.327148 0.125000 Mg\n0.665736 0.339752 0.625000 Mg\n0.660634 0.833484 0.125000 Mg\n0.665736 0.825983 0.625000 Mg\n0.331647 0.146540 0.378429 Mg\n0.331647 0.146540 0.871571 Mg\n0.331647 0.685109 0.378429 Mg\n0.331647 0.685109 0.871571 Mg\n0.818685 0.159343 0.396576 Mg\n0.818685 0.159343 0.853424 Mg\n0.846294 0.673148 0.360290 Mg\n0.846294 0.673148 0.889710 Mg\n0.193332 0.846665 0.125000 W\n",
"nsites": 16,
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"elements": [
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"Mg",
"W"
],
"chemical_system": "Cs-Mg-W",
"density": 2.881498653240864,
"density_atomic": 0.042258465478415747,
"volume": 378.6223616702855,
"volume_molar": 14.25073223038805,
"formula_full": "Cs1 Mg14 W1",
"formula_reduced": "CsMg14W",
"formula_anonymous": "ABC14",
"energy": -30.48424285,
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"updated_at": "2021-11-28T01:36:15.988000Z",
"spacegroup": 38
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{
"id": "mp-1184847",
"created_at": "2022-09-04T14:46:33.577402Z",
"structure_string": "Ho1 Lu1 Ir2\n1.0\n0.000000 3.385622 3.385622\n3.385622 0.000000 3.385622\n3.385622 3.385622 0.000000\nHo Lu Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ho\n0.000000 0.000000 0.000000 Lu\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
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"elements": [
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],
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"density": 15.496761955956837,
"density_atomic": 0.05153646088656537,
"volume": 77.61495320379534,
"volume_molar": 11.685204331851713,
"formula_full": "Ho1 Lu1 Ir2",
"formula_reduced": "HoLuIr2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:43.374000Z",
"spacegroup": 225
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{
"id": "mp-1220152",
"created_at": "2022-09-04T14:47:11.677684Z",
"structure_string": "Nd2 Ga2 Si2\n1.0\n-2.109377 2.109377 7.171197\n2.109377 -2.109377 7.171197\n2.109377 2.109377 -7.171197\nNd Ga Si\n2 2 2\ndirect\n0.624974 0.124974 0.500000 Nd\n0.874974 0.874974 0.000000 Nd\n0.291455 0.291455 0.000000 Ga\n0.041455 0.541455 0.500000 Ga\n0.208571 0.708571 0.500000 Si\n0.458571 0.458571 0.000000 Si\n",
"nsites": 6,
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"elements": [
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"Ga",
"Si"
],
"chemical_system": "Ga-Nd-Si",
"density": 6.298324321745952,
"density_atomic": 0.04701010197970247,
"volume": 127.63214175945879,
"volume_molar": 12.810312052928916,
"formula_full": "Nd2 Ga2 Si2",
"formula_reduced": "NdGaSi",
"formula_anonymous": "ABC",
"energy": -30.48221318,
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"updated_at": "2021-11-28T01:38:00.153000Z",
"spacegroup": 109
},
{
"id": "mp-1064690",
"created_at": "2022-09-04T14:47:26.054622Z",
"structure_string": "Nd1 Ru3\n1.0\n2.610853 -4.522130 0.000000\n2.610853 4.522130 0.000000\n0.000000 0.000000 3.161259\nNd Ru\n1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Ru\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n",
"nsites": 4,
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"elements": [
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"density": 9.953596088238697,
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"volume": 74.64754645873721,
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"formula_full": "Nd1 Ru3",
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"updated_at": "2021-11-28T01:38:06.865000Z",
"spacegroup": 191
},
{
"id": "mp-4150",
"created_at": "2022-09-04T14:46:42.511091Z",
"structure_string": "Ca1 Mn2 Sb2\n1.0\n4.475183 0.000035 -0.000007\n2.237622 3.875723 -0.000014\n-0.000011 -0.000020 7.440288\nCa Mn Sb\n1 2 2\ndirect\n0.999972 0.000001 0.000002 Ca\n0.333302 0.333339 0.386165 Mn\n0.666626 0.666654 0.613791 Mn\n0.666628 0.666662 0.257378 Sb\n0.333272 0.333344 0.742664 Sb\n",
"nsites": 5,
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"elements": [
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"Mn",
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],
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"density": 5.063069885534551,
"density_atomic": 0.03874526978249448,
"volume": 129.04801097188522,
"volume_molar": 15.542905737414342,
"formula_full": "Ca1 Mn2 Sb2",
"formula_reduced": "Ca(MnSb)2",
"formula_anonymous": "AB2C2",
"energy": -30.47930724,
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"updated_at": "2021-11-28T01:37:49.821000Z",
"spacegroup": 164
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{
"id": "mp-556",
"created_at": "2022-09-04T14:43:33.527431Z",
"structure_string": "Zr2 Ni2\n1.0\n1.652845 -4.984213 0.000000\n1.652845 4.984213 0.000000\n0.000000 0.000000 4.085559\nZr Ni\n2 2\ndirect\n0.360566 0.639434 0.750000 Zr\n0.639434 0.360566 0.250000 Zr\n0.082746 0.917254 0.750000 Ni\n0.917254 0.082746 0.250000 Ni\n",
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"density": 7.396409208909017,
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"volume": 67.31474488005468,
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"formula_full": "Zr2 Ni2",
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{
"id": "mp-1017552",
"created_at": "2022-09-04T14:39:42.450561Z",
"structure_string": "Bi2 O3\n1.0\n1.939473 -3.359266 0.000000\n1.939473 3.359266 0.000000\n0.000000 0.000000 6.022674\nBi O\n2 3\ndirect\n0.666667 0.333333 0.756048 Bi\n0.333333 0.666667 0.243952 Bi\n0.666667 0.333333 0.367948 O\n0.333333 0.666667 0.632052 O\n0.000000 0.000000 0.000000 O\n",
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"density": 9.859373472640836,
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"volume": 78.47792003020878,
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"formula_full": "Bi2 O3",
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"energy": -30.47800445,
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"updated_at": "2021-11-28T01:34:32.625000Z",
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{
"id": "mp-1183902",
"created_at": "2022-09-04T14:46:21.337529Z",
"structure_string": "Eu2 Ag1 Pd1\n1.0\n0.000000 3.701963 3.701963\n3.701963 0.000000 3.701963\n3.701963 3.701963 0.000000\nEu Ag Pd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Pd\n",
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"volume": 101.46732637992012,
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"formula_full": "Eu2 Ag1 Pd1",
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"updated_at": "2021-11-28T01:37:26.403000Z",
"spacegroup": 225
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{
"id": "mp-1228116",
"created_at": "2022-09-04T14:40:58.631560Z",
"structure_string": "Ba1 Bi2 I2 O2\n1.0\n-2.417365 2.417365 12.619679\n2.417365 -2.417365 12.619679\n2.417365 2.417365 -12.619679\nBa Bi I O\n1 2 2 2\ndirect\n0.590666 0.590666 0.000000 Ba\n0.977519 0.977519 0.000000 Bi\n0.439340 0.439340 0.000000 Bi\n0.714297 0.714297 0.000000 I\n0.113166 0.113166 0.000000 I\n0.464456 0.964456 0.500000 O\n0.964456 0.464456 0.500000 O\n",
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"elements": [
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"chemical_system": "Ba-Bi-I-O",
"density": 4.734800321042567,
"density_atomic": 0.023730412135541296,
"volume": 294.9801276108485,
"volume_molar": 25.377312141075606,
"formula_full": "Ba1 Bi2 I2 O2",
"formula_reduced": "BaBi2(IO)2",
"formula_anonymous": "AB2C2D2",
"energy": -30.476341420000004,
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"updated_at": "2021-11-28T01:35:09.821000Z",
"spacegroup": 107
}
]
}