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{
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"results": [
{
"id": "mp-29264",
"created_at": "2022-09-04T14:46:12.070122Z",
"structure_string": "S4 I4 Cl28\n1.0\n13.049988 0.000000 0.000000\n0.000000 8.876790 0.000000\n0.000000 3.276747 10.069079\nS I Cl\n4 4 28\ndirect\n0.919442 0.763497 0.134242 S\n0.580558 0.263497 0.134242 S\n0.080558 0.236503 0.865758 S\n0.419442 0.736503 0.865758 S\n0.602092 0.345964 0.732271 I\n0.102092 0.154036 0.267729 I\n0.397908 0.654036 0.267729 I\n0.897908 0.845964 0.732271 I\n0.720822 0.413613 0.902339 Cl\n0.779178 0.913613 0.902339 Cl\n0.279178 0.586387 0.097661 Cl\n0.220822 0.086387 0.097661 Cl\n0.894396 0.555499 0.097849 Cl\n0.394396 0.944501 0.902151 Cl\n0.105604 0.444501 0.902151 Cl\n0.605604 0.055499 0.097849 Cl\n0.811038 0.750976 0.274674 Cl\n0.311038 0.749024 0.725326 Cl\n0.188962 0.249024 0.725326 Cl\n0.688962 0.250976 0.274674 Cl\n0.048508 0.712417 0.246537 Cl\n0.548508 0.787583 0.753463 Cl\n0.951492 0.287583 0.753463 Cl\n0.451492 0.212417 0.246537 Cl\n0.048693 0.864955 0.889248 Cl\n0.548693 0.635045 0.110752 Cl\n0.951307 0.135045 0.110752 Cl\n0.451307 0.364955 0.889248 Cl\n0.749999 0.834453 0.587792 Cl\n0.249999 0.665547 0.412208 Cl\n0.250001 0.165547 0.412208 Cl\n0.750001 0.334453 0.587792 Cl\n0.021518 0.772169 0.584216 Cl\n0.521518 0.727831 0.415784 Cl\n0.978482 0.227831 0.415784 Cl\n0.478482 0.272169 0.584216 Cl\n",
"nsites": 36,
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"chemical_system": "Cl-I-S",
"density": 2.318449048533271,
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"formula_full": "S4 I4 Cl28",
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"updated_at": "2021-11-28T01:37:28.774000Z",
"spacegroup": 14
},
{
"id": "mp-1185669",
"created_at": "2022-09-04T14:45:35.335299Z",
"structure_string": "Mg16 Al12 O1\n1.0\n5.277736 -7.351443 0.000000\n5.277736 7.351443 0.000000\n-4.962206 0.000000 7.568006\nMg Al O\n16 12 1\ndirect\n0.463346 0.463346 0.695239 Mg\n0.006321 0.006321 0.335534 Mg\n0.701284 0.701284 0.290330 Mg\n0.805496 0.805496 0.805496 Mg\n0.695239 0.463346 0.463346 Mg\n0.593569 0.330483 0.002986 Mg\n0.330483 0.002986 0.593569 Mg\n0.335534 0.006321 0.006321 Mg\n0.002986 0.593569 0.330483 Mg\n0.701284 0.290330 0.701284 Mg\n0.290330 0.701284 0.701284 Mg\n0.593569 0.002986 0.330483 Mg\n0.006321 0.335534 0.006321 Mg\n0.002986 0.330483 0.593569 Mg\n0.330483 0.593569 0.002986 Mg\n0.463346 0.695239 0.463346 Mg\n0.203682 0.203682 0.802068 Al\n0.353765 0.353765 0.161051 Al\n0.026350 0.835762 0.640490 Al\n0.353765 0.161051 0.353765 Al\n0.835762 0.640490 0.026350 Al\n0.026350 0.640490 0.835762 Al\n0.203682 0.802068 0.203682 Al\n0.802068 0.203682 0.203682 Al\n0.640490 0.026350 0.835762 Al\n0.640490 0.835762 0.026350 Al\n0.161051 0.353765 0.353765 Al\n0.835762 0.026350 0.640490 Al\n0.594224 0.594224 0.594224 O\n",
"nsites": 29,
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"elements": [
"Mg",
"Al",
"O"
],
"chemical_system": "Al-Mg-O",
"density": 2.06035014871668,
"density_atomic": 0.04938172741970241,
"volume": 587.261756834159,
"volume_molar": 12.195079181448955,
"formula_full": "Mg16 Al12 O1",
"formula_reduced": "Mg16Al12O",
"formula_anonymous": "AB12C16",
"energy": -79.29848842999999,
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"updated_at": "2021-11-28T01:37:12.588000Z",
"spacegroup": 160
},
{
"id": "mp-1185723",
"created_at": "2022-09-04T14:41:00.252654Z",
"structure_string": "Mg16 Al12 V1\n1.0\n-5.236069 5.236069 5.236069\n5.236069 -5.236069 5.236069\n5.236069 5.236069 -5.236069\nMg Al V\n16 12 1\ndirect\n0.660461 0.000000 0.000000 Mg\n0.339539 0.339539 0.339539 Mg\n0.286070 0.601803 0.601803 Mg\n0.713930 0.315733 0.315733 Mg\n0.000000 0.684267 0.398197 Mg\n0.601803 0.601803 0.286070 Mg\n0.398197 0.000000 0.684267 Mg\n0.000000 0.000000 0.660461 Mg\n0.315733 0.713930 0.315733 Mg\n0.684267 0.398197 0.000000 Mg\n0.315733 0.315733 0.713930 Mg\n0.684267 0.000000 0.398197 Mg\n0.000000 0.660461 0.000000 Mg\n0.398197 0.684267 0.000000 Mg\n0.601803 0.286070 0.601803 Mg\n0.000000 0.398197 0.684267 Mg\n0.179245 0.815603 0.815603 Al\n0.820755 0.636358 0.636358 Al\n0.000000 0.363642 0.184397 Al\n0.636358 0.820755 0.636358 Al\n0.363642 0.184397 0.000000 Al\n0.184397 0.363642 0.000000 Al\n0.815603 0.179245 0.815603 Al\n0.815603 0.815603 0.179245 Al\n0.184397 0.000000 0.363642 Al\n0.363642 0.000000 0.184397 Al\n0.636358 0.636358 0.820755 Al\n0.000000 0.184397 0.363642 Al\n0.000000 0.000000 0.000000 V\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Mg",
"Al",
"V"
],
"chemical_system": "Al-Mg-V",
"density": 2.2082026260062193,
"density_atomic": 0.05050355197623094,
"volume": 574.2170375194323,
"volume_molar": 11.924192505973181,
"formula_full": "Mg16 Al12 V1",
"formula_reduced": "Mg16Al12V",
"formula_anonymous": "AB12C16",
"energy": -79.29227228,
"energy_per_atom": -2.7342162855172414,
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"updated_at": "2021-11-28T01:35:12.236000Z",
"spacegroup": 217
},
{
"id": "mp-1096527",
"created_at": "2022-09-04T14:47:39.788739Z",
"structure_string": "La1 Y1 Cu2\n1.0\n-5.220401 5.707271 8.624077\n5.220401 -5.707271 8.624077\n5.220401 5.707271 -8.624077\nLa Y Cu\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Y\n0.000000 0.250989 0.250989 Cu\n0.000000 0.749011 0.749011 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Y",
"Cu"
],
"chemical_system": "Cu-La-Y",
"density": 0.5733953725662597,
"density_atomic": 0.003891840342231755,
"volume": 1027.7913912846234,
"volume_molar": 154.737610755806,
"formula_full": "La1 Y1 Cu2",
"formula_reduced": "LaYCu2",
"formula_anonymous": "ABC2",
"energy": -10.9364035,
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"energy_uncorrected": -10.9364035,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:20.125000Z",
"spacegroup": 71
},
{
"id": "mp-1071319",
"created_at": "2022-09-04T14:44:48.163261Z",
"structure_string": "Zn3 Te3\n1.0\n2.175884 -3.768741 0.000000\n2.175884 3.768741 0.000000\n0.000000 0.000000 9.780184\nZn Te\n3 3\ndirect\n0.523145 0.000000 0.833333 Zn\n0.476855 0.476855 0.500000 Zn\n0.000000 0.523145 0.166667 Zn\n0.508394 0.000000 0.333333 Te\n0.491606 0.491606 0.000000 Te\n0.000000 0.508394 0.666667 Te\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zn",
"Te"
],
"chemical_system": "Te-Zn",
"density": 5.994305328756802,
"density_atomic": 0.03740607998659795,
"volume": 160.4017315406937,
"volume_molar": 16.099363424763155,
"formula_full": "Zn3 Te3",
"formula_reduced": "ZnTe",
"formula_anonymous": "AB",
"energy": -16.40443942,
"energy_per_atom": -2.7340732366666667,
"energy_above_hull": null,
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"energy_uncorrected": -15.138439419999996,
"band_gap": 0.2949000000000001,
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"total_magnetization": 3.1e-06,
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"updated_at": "2021-11-28T01:36:44.764000Z",
"spacegroup": 152
},
{
"id": "mp-1364886",
"created_at": "2022-09-04T14:47:14.247632Z",
"structure_string": "Li20 Zn2 P8 S32\n1.0\n10.236028 0.000000 0.000000\n-1.984103 10.051963 0.000000\n-4.085762 -5.040718 12.399537\nLi Zn P S\n20 2 8 32\ndirect\n0.222509 0.977967 0.493964 Li\n0.715314 0.470502 0.501560 Li\n0.956356 0.724087 0.997649 Li\n0.467617 0.230324 0.002299 Li\n0.167236 0.909881 0.250589 Li\n0.648161 0.396537 0.250558 Li\n0.412985 0.162819 0.748664 Li\n0.476153 0.711827 0.500393 Li\n0.980497 0.218627 0.495320 Li\n0.717507 0.964672 0.002354 Li\n0.402192 0.651876 0.249339 Li\n0.908423 0.159176 0.253881 Li\n0.160216 0.411564 0.748764 Li\n0.655360 0.911534 0.742497 Li\n0.804271 0.803065 0.243381 Li\n0.054067 0.060268 0.742583 Li\n0.082008 0.574408 0.489378 Li\n0.575757 0.078982 0.492162 Li\n0.823517 0.322790 0.001568 Li\n0.328110 0.832361 0.993703 Li\n0.901048 0.652582 0.746125 Zn\n0.225368 0.468627 0.001457 Zn\n0.339587 0.338329 0.500233 P\n0.845586 0.837293 0.499809 P\n0.095682 0.092067 0.002412 P\n0.580247 0.593298 0.997981 P\n0.537174 0.028167 0.249758 P\n0.033110 0.540380 0.243240 P\n0.279763 0.778447 0.749204 P\n0.781377 0.283977 0.751019 P\n0.052636 0.829321 0.447584 S\n0.549338 0.333287 0.446621 S\n0.792452 0.581127 0.937863 S\n0.302686 0.087877 0.945355 S\n0.390609 0.094583 0.195154 S\n0.876904 0.598156 0.191310 S\n0.120054 0.843303 0.698498 S\n0.635871 0.350381 0.696857 S\n0.334312 0.547403 0.446329 S\n0.834367 0.043683 0.450417 S\n0.087501 0.303956 0.946807 S\n0.582896 0.803585 0.940009 S\n0.601327 0.873724 0.196842 S\n0.102101 0.387566 0.190290 S\n0.345292 0.632162 0.696831 S\n0.853702 0.137045 0.693813 S\n0.507044 0.507521 0.159294 S\n0.016260 0.013756 0.167271 S\n0.263891 0.263823 0.667459 S\n0.753678 0.750348 0.667544 S\n0.448104 0.939117 0.416777 S\n0.944954 0.444151 0.409164 S\n0.187194 0.691326 0.919759 S\n0.696324 0.196913 0.917348 S\n0.726064 0.719647 0.441723 S\n0.224801 0.221943 0.441765 S\n0.467439 0.479468 0.931586 S\n0.972250 0.978786 0.943813 S\n0.209603 0.715540 0.192489 S\n0.715411 0.204897 0.199002 S\n0.965039 0.464741 0.696014 S\n0.448813 0.960560 0.697062 S\n",
"nsites": 62,
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"S"
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"volume": 1275.8153274878568,
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"formula_full": "Li20 Zn2 P8 S32",
"formula_reduced": "Li10Zn(PS4)4",
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"energy": -169.49830307,
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"updated_at": "2021-11-28T01:38:04.266000Z",
"spacegroup": 1
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{
"id": "mp-1039581",
"created_at": "2022-09-04T14:41:58.504477Z",
"structure_string": "Ce2 Mg2\n1.0\n2.783000 -4.820298 0.000000\n2.783000 4.820298 0.000000\n0.000000 0.000000 6.469983\nCe Mg\n2 2\ndirect\n0.333333 0.666667 0.750000 Ce\n0.666667 0.333333 0.250000 Ce\n0.333333 0.666667 0.250000 Mg\n0.666667 0.333333 0.750000 Mg\n",
"nsites": 4,
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],
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"density": 3.1456916448325156,
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"volume": 173.58821187572264,
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"formula_full": "Ce2 Mg2",
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"energy": -10.9343789,
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"updated_at": "2021-11-28T01:35:32.754000Z",
"spacegroup": 194
},
{
"id": "mp-631489",
"created_at": "2022-09-04T14:47:15.158166Z",
"structure_string": "Be2 Cd1 P1\n1.0\n0.000000 3.045018 3.045018\n3.045018 0.000000 3.045018\n3.045018 3.045018 0.000000\nBe Cd P\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Be\n0.750000 0.750000 0.750000 Be\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 P\n",
"nsites": 4,
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"elements": [
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"Cd",
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],
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"density": 4.74654491744876,
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"volume": 56.467633634619474,
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"formula_full": "Be2 Cd1 P1",
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"updated_at": "2021-11-28T01:37:59.522000Z",
"spacegroup": 225
},
{
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{
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{
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{
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}