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{
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"results": [
{
"id": "mp-1028108",
"created_at": "2022-09-04T14:48:17.023904Z",
"structure_string": "Ba1 Ca1 Mg14\n1.0\n6.823586 0.000000 -0.000000\n-3.411793 5.909398 0.000000\n-0.000000 0.000000 10.487233\nBa Ca Mg\n1 1 14\ndirect\n0.166667 0.333333 0.625000 Ba\n0.166667 0.333333 0.125000 Ca\n0.172247 0.836123 0.125000 Mg\n0.179941 0.839970 0.625000 Mg\n0.663877 0.327753 0.125000 Mg\n0.660030 0.320059 0.625000 Mg\n0.663877 0.836123 0.125000 Mg\n0.660030 0.839970 0.625000 Mg\n0.343630 0.156370 0.368808 Mg\n0.343630 0.156370 0.881192 Mg\n0.343630 0.687261 0.368808 Mg\n0.343630 0.687261 0.881192 Mg\n0.812739 0.156370 0.368808 Mg\n0.812739 0.156370 0.881192 Mg\n0.833333 0.666667 0.377324 Mg\n0.833333 0.666667 0.872676 Mg\n",
"nsites": 16,
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"elements": [
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],
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"density": 2.0327757083550875,
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"volume": 422.8796899574105,
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"formula_full": "Ba1 Ca1 Mg14",
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"spacegroup": 187
},
{
"id": "mp-1094784",
"created_at": "2022-09-04T14:42:44.480105Z",
"structure_string": "Ca1 Zn3\n1.0\n-2.482988 2.482988 3.116728\n2.482988 -2.482988 3.116728\n2.482988 2.482988 -3.116728\nCa Zn\n1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 Zn\n0.250000 0.750000 0.500000 Zn\n0.750000 0.250000 0.500000 Zn\n",
"nsites": 4,
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"elements": [
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"Zn"
],
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"density": 5.1052130792763055,
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"volume": 76.86137249114334,
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"formula_full": "Ca1 Zn3",
"formula_reduced": "CaZn3",
"formula_anonymous": "AB3",
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"updated_at": "2021-11-28T01:35:58.578000Z",
"spacegroup": 139
},
{
"id": "mp-11266",
"created_at": "2022-09-04T14:47:01.096313Z",
"structure_string": "Ba2 Cd4\n1.0\n-2.663319 4.236959 4.398770\n2.663319 -4.236959 4.398770\n2.663319 4.236959 -4.398770\nBa Cd\n2 4\ndirect\n0.202814 0.452814 0.750000 Ba\n0.797186 0.547186 0.250000 Ba\n0.225916 0.164624 0.061292 Cd\n0.774084 0.835376 0.938708 Cd\n0.603332 0.164624 0.438708 Cd\n0.396668 0.835376 0.561292 Cd\n",
"nsites": 6,
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"elements": [
"Ba",
"Cd"
],
"chemical_system": "Ba-Cd",
"density": 6.057559502827255,
"density_atomic": 0.030219171667496977,
"volume": 198.54945284464753,
"volume_molar": 19.928212547524165,
"formula_full": "Ba2 Cd4",
"formula_reduced": "BaCd2",
"formula_anonymous": "AB2",
"energy": -9.53554956,
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"updated_at": "2021-11-28T01:37:49.947000Z",
"spacegroup": 74
},
{
"id": "mp-979968",
"created_at": "2022-09-04T14:39:32.409887Z",
"structure_string": "Yb2 Cd1 Hg1\n1.0\n0.000000 3.775468 3.775468\n3.775468 0.000000 3.775468\n3.775468 3.775468 0.000000\nYb Cd Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
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"elements": [
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"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Yb",
"density": 10.168233551421288,
"density_atomic": 0.03716358611361884,
"volume": 107.63223946609861,
"volume_molar": 16.20441240947183,
"formula_full": "Yb2 Cd1 Hg1",
"formula_reduced": "Yb2CdHg",
"formula_anonymous": "ABC2",
"energy": -6.35792376,
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"updated_at": "2021-11-28T01:34:25.809000Z",
"spacegroup": 225
},
{
"id": "mp-1100174",
"created_at": "2022-09-04T14:40:55.690501Z",
"structure_string": "Cs1 Mg6 Bi1\n1.0\n3.566113 -6.252636 0.000000\n3.566113 6.252636 0.000000\n0.000000 0.000000 5.318559\nCs Mg Bi\n1 6 1\ndirect\n0.832893 0.167107 0.500000 Cs\n0.337287 0.170959 0.500000 Mg\n0.829041 0.662713 0.500000 Mg\n0.200357 0.344547 0.000000 Mg\n0.655453 0.799643 0.000000 Mg\n0.647502 0.352498 0.000000 Mg\n0.160399 0.839601 0.000000 Mg\n0.337071 0.662929 0.500000 Bi\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cs",
"Mg",
"Bi"
],
"chemical_system": "Bi-Cs-Mg",
"density": 3.4145521064221813,
"density_atomic": 0.03372933374091133,
"volume": 237.18227171195372,
"volume_molar": 17.854312825324392,
"formula_full": "Cs1 Mg6 Bi1",
"formula_reduced": "CsMg6Bi",
"formula_anonymous": "ABC6",
"energy": -12.71725573,
"energy_per_atom": -1.58965696625,
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"updated_at": "2021-11-28T01:34:58.248000Z",
"spacegroup": 38
},
{
"id": "mp-30783",
"created_at": "2022-09-04T14:44:22.846059Z",
"structure_string": "Sr18 Mg76\n1.0\n5.259082 -9.108998 0.000000\n5.259082 9.108998 0.000000\n0.000000 0.000000 27.900247\nSr Mg\n18 76\ndirect\n0.522765 0.045530 0.250000 Sr\n0.477235 0.522765 0.750000 Sr\n0.045530 0.522765 0.750000 Sr\n0.954470 0.477235 0.250000 Sr\n0.522765 0.477235 0.250000 Sr\n0.477235 0.954470 0.750000 Sr\n0.138760 0.277519 0.062753 Sr\n0.861240 0.138760 0.562753 Sr\n0.277519 0.138760 0.562753 Sr\n0.722481 0.861240 0.062753 Sr\n0.138760 0.861240 0.062753 Sr\n0.861240 0.722481 0.937247 Sr\n0.861240 0.138760 0.937247 Sr\n0.861240 0.722481 0.562753 Sr\n0.277519 0.138760 0.937247 Sr\n0.722481 0.861240 0.437247 Sr\n0.138760 0.277519 0.437247 Sr\n0.138760 0.861240 0.437247 Sr\n0.000000 0.000000 0.157385 Mg\n0.000000 0.000000 0.657385 Mg\n0.000000 0.000000 0.842615 Mg\n0.000000 0.000000 0.342615 Mg\n0.333333 0.666667 0.042005 Mg\n0.666667 0.333333 0.542005 Mg\n0.666667 0.333333 0.957995 Mg\n0.333333 0.666667 0.457995 Mg\n0.333333 0.666667 0.157013 Mg\n0.666667 0.333333 0.657013 Mg\n0.666667 0.333333 0.842987 Mg\n0.333333 0.666667 0.342987 Mg\n0.333333 0.666667 0.650717 Mg\n0.666667 0.333333 0.150717 Mg\n0.666667 0.333333 0.349283 Mg\n0.333333 0.666667 0.849283 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.901762 0.803524 0.250000 Mg\n0.098238 0.901762 0.750000 Mg\n0.803524 0.901762 0.750000 Mg\n0.196476 0.098238 0.250000 Mg\n0.901762 0.098238 0.250000 Mg\n0.098238 0.196476 0.750000 Mg\n0.234028 0.468056 0.554869 Mg\n0.765972 0.234028 0.054869 Mg\n0.468056 0.234028 0.054869 Mg\n0.531944 0.765972 0.554869 Mg\n0.234028 0.765972 0.554869 Mg\n0.765972 0.531944 0.445131 Mg\n0.765972 0.234028 0.445131 Mg\n0.765972 0.531944 0.054869 Mg\n0.468056 0.234028 0.445131 Mg\n0.531944 0.765972 0.945131 Mg\n0.234028 0.468056 0.945131 Mg\n0.234028 0.765972 0.945131 Mg\n0.504853 0.009706 0.618977 Mg\n0.495147 0.504853 0.118977 Mg\n0.009706 0.504853 0.118977 Mg\n0.990294 0.495147 0.618977 Mg\n0.504853 0.495147 0.618977 Mg\n0.495147 0.990294 0.381023 Mg\n0.495147 0.504853 0.381023 Mg\n0.495147 0.990294 0.118977 Mg\n0.009706 0.504853 0.381023 Mg\n0.990294 0.495147 0.881023 Mg\n0.504853 0.009706 0.881023 Mg\n0.504853 0.495147 0.881023 Mg\n0.167589 0.335178 0.653782 Mg\n0.832411 0.167589 0.153782 Mg\n0.335178 0.167589 0.153782 Mg\n0.664822 0.832411 0.653782 Mg\n0.167589 0.832411 0.653782 Mg\n0.832411 0.664822 0.346218 Mg\n0.832411 0.167589 0.346218 Mg\n0.832411 0.664822 0.153782 Mg\n0.335178 0.167589 0.346218 Mg\n0.664822 0.832411 0.846218 Mg\n0.167589 0.335178 0.846218 Mg\n0.167589 0.832411 0.846218 Mg\n0.169947 0.339895 0.189830 Mg\n0.830053 0.169947 0.689830 Mg\n0.339895 0.169947 0.689830 Mg\n0.660105 0.830053 0.189830 Mg\n0.169947 0.830053 0.189830 Mg\n0.830053 0.660105 0.810170 Mg\n0.830053 0.169947 0.810170 Mg\n0.830053 0.660105 0.689830 Mg\n0.339895 0.169947 0.810170 Mg\n0.660105 0.830053 0.310170 Mg\n0.169947 0.339895 0.310170 Mg\n0.169947 0.830053 0.310170 Mg\n",
"nsites": 94,
"nelements": 2,
"elements": [
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"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.1271953916826654,
"density_atomic": 0.035164889796379745,
"volume": 2673.120847080754,
"volume_molar": 17.125436180436953,
"formula_full": "Sr18 Mg76",
"formula_reduced": "Sr9Mg38",
"formula_anonymous": "A9B38",
"energy": -149.47699721,
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"updated_at": "2021-11-28T01:36:40.772000Z",
"spacegroup": 194
},
{
"id": "mp-1183433",
"created_at": "2022-09-04T14:44:12.702209Z",
"structure_string": "Ba2 Yb6\n1.0\n4.006153 -6.938860 0.000000\n4.006153 6.938860 0.000000\n0.000000 0.000000 6.670370\nBa Yb\n2 6\ndirect\n0.333333 0.666667 0.750000 Ba\n0.666667 0.333333 0.250000 Ba\n0.164303 0.328606 0.250000 Yb\n0.671394 0.835697 0.250000 Yb\n0.164303 0.835697 0.250000 Yb\n0.835697 0.671394 0.750000 Yb\n0.328606 0.164303 0.750000 Yb\n0.835697 0.164303 0.750000 Yb\n",
"nsites": 8,
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"volume": 370.84768892619337,
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"formula_full": "Ba2 Yb6",
"formula_reduced": "BaYb3",
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"energy": -12.72191982,
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"updated_at": "2021-11-28T01:36:31.062000Z",
"spacegroup": 194
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{
"id": "mp-1021317",
"created_at": "2022-09-04T14:48:31.295857Z",
"structure_string": "Sr2 Li2 Mg12\n1.0\n5.322578 0.000000 0.000000\n0.000000 6.601897 0.000000\n0.000000 0.000000 11.955821\nSr Li Mg\n2 2 12\ndirect\n0.500000 0.500000 0.170769 Sr\n0.500000 0.000000 0.670769 Sr\n0.500000 0.000000 0.163488 Li\n0.500000 0.500000 0.663488 Li\n0.500000 0.256092 0.421600 Mg\n0.500000 0.743908 0.421600 Mg\n0.000000 0.764201 0.076299 Mg\n0.000000 0.235799 0.076299 Mg\n0.000000 0.000000 0.328207 Mg\n0.000000 0.500000 0.341733 Mg\n0.500000 0.756092 0.921600 Mg\n0.500000 0.243908 0.921600 Mg\n0.000000 0.264201 0.576299 Mg\n0.000000 0.735799 0.576299 Mg\n0.000000 0.500000 0.828207 Mg\n0.000000 0.000000 0.841733 Mg\n",
"nsites": 16,
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"elements": [
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"Li",
"Mg"
],
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"density": 1.9003216404919445,
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"volume": 420.11692994845174,
"volume_molar": 15.812520548803974,
"formula_full": "Sr2 Li2 Mg12",
"formula_reduced": "SrLiMg6",
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"energy": -25.44986928,
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"updated_at": "2021-11-28T01:39:56.822000Z",
"spacegroup": 38
},
{
"id": "mp-1028122",
"created_at": "2022-09-04T14:46:54.749119Z",
"structure_string": "Ca1 Mg14 Cd1\n1.0\n6.452586 0.000000 0.000000\n-3.226293 5.588102 0.000000\n0.000000 -0.000000 10.498602\nCa Mg Cd\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Ca\n0.175350 0.837674 0.125000 Mg\n0.163484 0.831741 0.625000 Mg\n0.662326 0.324650 0.125000 Mg\n0.668259 0.336516 0.625000 Mg\n0.662326 0.837674 0.125000 Mg\n0.668259 0.831741 0.625000 Mg\n0.334617 0.165383 0.382687 Mg\n0.334617 0.165383 0.867313 Mg\n0.334617 0.669235 0.382687 Mg\n0.334617 0.669235 0.867313 Mg\n0.830765 0.165383 0.382687 Mg\n0.830765 0.165383 0.867313 Mg\n0.833333 0.666667 0.370773 Mg\n0.833333 0.666667 0.879227 Mg\n0.166667 0.333333 0.625000 Cd\n",
"nsites": 16,
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"elements": [
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"Cd"
],
"chemical_system": "Ca-Cd-Mg",
"density": 2.1614941496682687,
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"volume": 378.555533006799,
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"formula_full": "Ca1 Mg14 Cd1",
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"updated_at": "2021-11-28T01:37:47.550000Z",
"spacegroup": 187
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{
"id": "mp-303",
"created_at": "2022-09-04T14:44:41.967042Z",
"structure_string": "Ba2 Zn10\n1.0\n4.244679 -5.462666 0.000000\n4.244679 5.462666 0.000000\n0.000000 0.000000 5.337435\nBa Zn\n2 10\ndirect\n0.668378 0.668378 0.250000 Ba\n0.331622 0.331622 0.750000 Ba\n0.794965 0.205035 0.500000 Zn\n0.205035 0.794965 0.000000 Zn\n0.921620 0.921620 0.750000 Zn\n0.078380 0.078380 0.250000 Zn\n0.535844 0.919466 0.750000 Zn\n0.464156 0.080534 0.250000 Zn\n0.919466 0.535844 0.750000 Zn\n0.080534 0.464156 0.250000 Zn\n0.794965 0.205035 0.000000 Zn\n0.205035 0.794965 0.500000 Zn\n",
"nsites": 12,
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"elements": [
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"density": 6.230645230423001,
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"formula_full": "Ba2 Zn10",
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{
"id": "mp-153",
"created_at": "2022-09-04T14:45:54.713555Z",
"structure_string": "Mg2\n1.0\n1.601514 -2.773903 0.000000\n1.601514 2.773903 0.000000\n0.000000 0.000000 5.126691\nMg\n2\ndirect\n0.333333 0.666667 0.250000 Mg\n0.666667 0.333333 0.750000 Mg\n",
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"updated_at": "2021-11-28T01:37:12.196000Z",
"spacegroup": 194
},
{
"id": "mp-803041",
"created_at": "2022-09-04T14:46:10.021021Z",
"structure_string": "Li8 Mn2 V2 P6 O24\n1.0\n8.415449 0.000000 0.000000\n-4.141997 7.350062 0.000000\n-0.060616 -4.835775 7.944744\nLi Mn V P O\n8 2 2 6 24\ndirect\n0.735506 0.532756 0.135388 Li\n0.056517 0.169392 0.097379 Li\n0.341444 0.780870 0.147061 Li\n0.201667 0.849977 0.409372 Li\n0.798333 0.150023 0.590628 Li\n0.658556 0.219130 0.852939 Li\n0.943483 0.830608 0.902621 Li\n0.264494 0.467244 0.864612 Li\n0.849941 0.589206 0.561778 Mn\n0.150059 0.410794 0.438222 Mn\n0.351657 0.621492 0.034900 V\n0.648343 0.378508 0.965100 V\n0.050626 0.293172 0.245910 P\n0.453024 0.013877 0.246365 P\n0.745421 0.715227 0.238069 P\n0.254579 0.284773 0.761931 P\n0.546976 0.986123 0.753635 P\n0.949374 0.706828 0.754090 P\n0.849507 0.424010 0.106909 O\n0.496764 0.301946 0.178847 O\n0.167777 0.314298 0.182972 O\n0.445738 0.104708 0.100751 O\n0.790263 0.056154 0.100771 O\n0.248950 0.890421 0.267720 O\n0.032706 0.971662 0.412071 O\n0.602222 0.802753 0.407120 O\n0.527656 0.659562 0.176870 O\n0.866262 0.614477 0.244692 O\n0.791844 0.563746 0.408636 O\n0.147850 0.490785 0.254194 O\n0.852150 0.509215 0.745806 O\n0.208156 0.436254 0.591364 O\n0.133738 0.385523 0.755308 O\n0.472344 0.340438 0.823130 O\n0.397778 0.197247 0.592880 O\n0.967294 0.028338 0.587929 O\n0.751050 0.109579 0.732280 O\n0.209737 0.943846 0.899229 O\n0.554262 0.895292 0.899249 O\n0.832223 0.685702 0.817028 O\n0.503236 0.698054 0.821153 O\n0.150493 0.575990 0.893091 O\n",
"nsites": 42,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.8286952083893646,
"density_atomic": 0.08546751715460854,
"volume": 491.41476666536454,
"volume_molar": 7.046116420003288,
"formula_full": "Li8 Mn2 V2 P6 O24",
"formula_reduced": "Li4MnV(PO4)3",
"formula_anonymous": "ABC3D4E12",
"energy": -66.83710896,
"energy_per_atom": -1.591359737142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.23710896,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0028681,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:26.378000Z",
"spacegroup": 2
}
]
}