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{
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"results": [
{
"id": "mp-1026767",
"created_at": "2022-09-04T14:41:58.033696Z",
"structure_string": "Cs1 La1 Mg14\n1.0\n6.873348 -0.000000 -0.000000\n-3.436674 5.952493 0.000000\n-0.000000 -0.000000 10.532006\nCs La Mg\n1 1 14\ndirect\n0.166667 0.333333 0.625000 Cs\n0.166667 0.333333 0.125000 La\n0.175205 0.837602 0.125000 Mg\n0.172085 0.836042 0.625000 Mg\n0.662398 0.324795 0.125000 Mg\n0.663958 0.327915 0.625000 Mg\n0.662398 0.837602 0.125000 Mg\n0.663958 0.836042 0.625000 Mg\n0.345007 0.154993 0.367379 Mg\n0.345007 0.154993 0.882621 Mg\n0.345007 0.690015 0.367379 Mg\n0.345007 0.690015 0.882621 Mg\n0.809985 0.154993 0.367379 Mg\n0.809985 0.154993 0.882621 Mg\n0.833333 0.666667 0.374689 Mg\n0.833333 0.666667 0.875311 Mg\n",
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{
"id": "mp-1094293",
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"updated_at": "2021-11-28T01:36:58.361000Z",
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{
"id": "mp-1444",
"created_at": "2022-09-04T14:41:11.549481Z",
"structure_string": "Ca2 Cd4\n1.0\n-2.515440 3.667626 4.346251\n2.515440 -3.667626 4.346251\n2.515440 3.667626 -4.346251\nCa Cd\n2 4\ndirect\n0.775292 0.525292 0.250000 Ca\n0.224708 0.474708 0.750000 Ca\n0.635939 0.165784 0.470155 Cd\n0.364061 0.834216 0.529845 Cd\n0.804370 0.834216 0.970155 Cd\n0.195630 0.165784 0.029845 Cd\n",
"nsites": 6,
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"density": 5.485134117099423,
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"volume": 160.38871223624696,
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"formula_full": "Ca2 Cd4",
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"updated_at": "2021-11-28T01:35:17.146000Z",
"spacegroup": 74
},
{
"id": "mp-1094707",
"created_at": "2022-09-04T14:43:14.790466Z",
"structure_string": "Ca6 Mg8 Zn22\n1.0\n4.672244 -8.092565 0.000000\n4.672244 8.092565 0.000000\n0.000000 0.000000 9.353710\nCa Mg Zn\n6 8 22\ndirect\n0.800296 0.199704 0.250000 Ca\n0.199704 0.399408 0.750000 Ca\n0.600592 0.800296 0.750000 Ca\n0.399408 0.199704 0.250000 Ca\n0.800296 0.600592 0.250000 Ca\n0.199704 0.800296 0.750000 Ca\n0.000000 0.000000 0.250000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.750000 Mg\n0.845894 0.154106 0.911612 Zn\n0.691789 0.845894 0.088388 Zn\n0.154106 0.845894 0.088388 Zn\n0.154106 0.308211 0.088388 Zn\n0.308211 0.154106 0.588388 Zn\n0.427185 0.854370 0.250000 Zn\n0.145630 0.572815 0.250000 Zn\n0.854370 0.427185 0.750000 Zn\n0.572815 0.145630 0.750000 Zn\n0.427185 0.572815 0.250000 Zn\n0.333333 0.666667 0.007161 Zn\n0.666667 0.333333 0.507161 Zn\n0.666667 0.333333 0.992839 Zn\n0.333333 0.666667 0.492839 Zn\n0.845894 0.691789 0.588388 Zn\n0.845894 0.154106 0.588388 Zn\n0.154106 0.308211 0.411612 Zn\n0.691789 0.845894 0.411612 Zn\n0.308211 0.154106 0.911612 Zn\n0.845894 0.691789 0.911612 Zn\n0.154106 0.845894 0.411612 Zn\n0.572815 0.427185 0.750000 Zn\n",
"nsites": 36,
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"density": 4.399175532173893,
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"volume": 707.3357490235146,
"volume_molar": 11.832431792221215,
"formula_full": "Ca6 Mg8 Zn22",
"formula_reduced": "Ca3Mg4Zn11",
"formula_anonymous": "A3B4C11",
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"updated_at": "2021-11-28T01:36:19.786000Z",
"spacegroup": 194
},
{
"id": "mp-1023416",
"created_at": "2022-09-04T14:40:39.819174Z",
"structure_string": "K2 Mg12 Al2\n1.0\n5.181593 0.000000 0.000000\n0.000000 6.767230 0.000000\n0.000000 0.000000 11.690395\nK Mg Al\n2 12 2\ndirect\n0.500000 0.500000 0.168095 K\n0.500000 0.000000 0.668095 K\n0.000000 0.229313 0.075259 Mg\n0.000000 0.770687 0.075259 Mg\n0.000000 0.500000 0.833372 Mg\n0.500000 0.236292 0.916874 Mg\n0.500000 0.763708 0.916874 Mg\n0.500000 0.500000 0.663022 Mg\n0.000000 0.729313 0.575259 Mg\n0.000000 0.270687 0.575259 Mg\n0.000000 0.000000 0.333372 Mg\n0.500000 0.736292 0.416874 Mg\n0.500000 0.263708 0.416874 Mg\n0.500000 0.000000 0.163022 Mg\n0.000000 0.500000 0.351244 Al\n0.000000 0.000000 0.851244 Al\n",
"nsites": 16,
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"elements": [
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"chemical_system": "Al-K-Mg",
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"density_atomic": 0.039031618703483886,
"volume": 409.9240700609701,
"volume_molar": 15.428877817620398,
"formula_full": "K2 Mg12 Al2",
"formula_reduced": "KMg6Al",
"formula_anonymous": "ABC6",
"energy": -25.80717918,
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"spacegroup": 38
},
{
"id": "mp-1023508",
"created_at": "2022-09-04T14:46:55.633668Z",
"structure_string": "Ca1 Mg15\n1.0\n3.269363 -5.662703 0.000000\n3.269363 5.662703 0.000000\n0.000000 0.000000 10.365627\nCa Mg\n1 15\ndirect\n0.666667 0.333333 0.000000 Ca\n0.666667 0.333333 0.500000 Mg\n0.169690 0.339380 0.000000 Mg\n0.166394 0.332788 0.500000 Mg\n0.169690 0.830310 0.000000 Mg\n0.166394 0.833606 0.500000 Mg\n0.660620 0.830310 0.000000 Mg\n0.667212 0.833606 0.500000 Mg\n0.003259 0.501629 0.255081 Mg\n0.003259 0.501629 0.744919 Mg\n0.498371 0.501629 0.255081 Mg\n0.498371 0.501629 0.744919 Mg\n0.498371 0.996741 0.255081 Mg\n0.498371 0.996741 0.744919 Mg\n0.000000 0.000000 0.247841 Mg\n0.000000 0.000000 0.752159 Mg\n",
"nsites": 16,
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"elements": [
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],
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"volume": 383.8066543248698,
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"formula_full": "Ca1 Mg15",
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"updated_at": "2021-11-28T01:37:44.685000Z",
"spacegroup": 187
},
{
"id": "mp-1023401",
"created_at": "2022-09-04T14:47:38.614385Z",
"structure_string": "K2 Mg12 Al2\n1.0\n5.191106 0.000000 0.000000\n0.000000 6.796894 0.000000\n0.000000 0.000000 11.525128\nK Mg Al\n2 12 2\ndirect\n0.500000 0.500000 0.835670 K\n0.500000 0.000000 0.335670 K\n0.500000 0.242864 0.082470 Mg\n0.500000 0.757136 0.082470 Mg\n0.000000 0.227045 0.916498 Mg\n0.000000 0.772955 0.916498 Mg\n0.000000 0.500000 0.169449 Mg\n0.000000 0.500000 0.654638 Mg\n0.500000 0.742864 0.582470 Mg\n0.500000 0.257136 0.582470 Mg\n0.000000 0.727045 0.416498 Mg\n0.000000 0.272955 0.416498 Mg\n0.000000 0.000000 0.669449 Mg\n0.000000 0.000000 0.154638 Mg\n0.500000 0.500000 0.342311 Al\n0.500000 0.000000 0.842311 Al\n",
"nsites": 16,
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"elements": [
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],
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"formula_full": "K2 Mg12 Al2",
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"spacegroup": 38
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{
"id": "mp-1185070",
"created_at": "2022-09-04T14:39:41.460878Z",
"structure_string": "K1 Ca3\n1.0\n-2.851248 2.851248 5.829977\n2.851248 -2.851248 5.829977\n2.851248 2.851248 -5.829977\nK Ca\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.250000 0.500000 Ca\n0.250000 0.750000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n",
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{
"id": "mp-1022140",
"created_at": "2022-09-04T14:42:09.083934Z",
"structure_string": "Rb1 Mg6 Cu1\n1.0\n3.141691 -7.720079 0.000000\n3.141691 7.720079 0.000000\n0.000000 0.000000 4.594019\nRb Mg Cu\n1 6 1\ndirect\n0.282916 0.717084 0.500000 Rb\n0.208514 0.301617 0.000000 Mg\n0.698383 0.791486 0.000000 Mg\n0.683680 0.316320 0.000000 Mg\n0.323128 0.167397 0.500000 Mg\n0.832603 0.676872 0.500000 Mg\n0.873257 0.126743 0.500000 Mg\n0.097517 0.902483 0.000000 Cu\n",
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"formula_full": "Rb1 Mg6 Cu1",
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{
"id": "mp-770433",
"created_at": "2022-09-04T14:48:19.677218Z",
"structure_string": "Ag11 Hg9\n1.0\n1.609567 -2.787851 0.000000\n1.609567 2.787851 0.000000\n0.000000 0.000000 46.742527\nAg Hg\n11 9\ndirect\n0.666667 0.333333 0.725422 Ag\n0.666667 0.333333 0.922448 Ag\n0.000000 0.000000 0.178313 Ag\n0.000000 0.000000 0.276069 Ag\n0.000000 0.000000 0.375070 Ag\n0.000000 0.000000 0.475295 Ag\n0.000000 0.000000 0.677264 Ag\n0.000000 0.000000 0.773604 Ag\n0.000000 0.000000 0.874830 Ag\n0.000000 0.000000 0.969411 Ag\n0.000000 0.000000 0.575817 Ag\n0.666667 0.333333 0.019043 Hg\n0.666667 0.333333 0.129358 Hg\n0.666667 0.333333 0.325489 Hg\n0.666667 0.333333 0.525611 Hg\n0.666667 0.333333 0.226869 Hg\n0.666667 0.333333 0.425077 Hg\n0.666667 0.333333 0.824453 Hg\n0.666667 0.333333 0.626297 Hg\n0.000000 0.000000 0.074260 Hg\n",
"nsites": 20,
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"formula_full": "Ag11 Hg9",
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{
"id": "mp-1094360",
"created_at": "2022-09-04T14:46:11.119334Z",
"structure_string": "Sr5 Mg1\n1.0\n7.125444 -3.547045 0.000000\n7.125444 3.547045 0.000000\n5.359725 0.000000 5.884456\nSr Mg\n5 1\ndirect\n0.000000 0.662068 0.337932 Sr\n0.833746 0.833746 0.833746 Sr\n0.662068 0.337932 0.000000 Sr\n0.337932 0.000000 0.662068 Sr\n0.166254 0.166254 0.166254 Sr\n0.500000 0.500000 0.500000 Mg\n",
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{
"id": "mp-1026606",
"created_at": "2022-09-04T14:39:24.368207Z",
"structure_string": "Rb1 Mg14 Sb1\n1.0\n6.526091 0.000000 0.000000\n-3.263046 5.651760 -0.000000\n0.000000 -0.000000 10.871537\nRb Mg Sb\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Rb\n0.172957 0.836478 0.125000 Mg\n0.161384 0.830691 0.625000 Mg\n0.663522 0.327043 0.125000 Mg\n0.669309 0.338616 0.625000 Mg\n0.663522 0.836478 0.125000 Mg\n0.669309 0.830691 0.625000 Mg\n0.338613 0.161387 0.386079 Mg\n0.338613 0.161387 0.863921 Mg\n0.338613 0.677227 0.386079 Mg\n0.338613 0.677227 0.863921 Mg\n0.822773 0.161387 0.386079 Mg\n0.822773 0.161387 0.863921 Mg\n0.833333 0.666667 0.369260 Mg\n0.833333 0.666667 0.880740 Mg\n0.166667 0.333333 0.625000 Sb\n",
"nsites": 16,
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"total_magnetization": 3.26e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.530000Z",
"spacegroup": 187
}
]
}