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{
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"results": [
{
"id": "mp-1073493",
"created_at": "2022-09-04T14:39:06.717315Z",
"structure_string": "Mg8 Si16\n1.0\n6.223385 0.000000 0.000000\n-0.090206 6.861777 0.000000\n-0.271809 -0.050732 10.259640\nMg Si\n8 16\ndirect\n0.681324 0.891020 0.130395 Mg\n0.434025 0.130884 0.625854 Mg\n0.725386 0.453633 0.353299 Mg\n0.112601 0.327484 0.897888 Mg\n0.266542 0.529308 0.406677 Mg\n0.628341 0.444791 0.863494 Mg\n0.184676 0.976449 0.116027 Mg\n0.942573 0.242700 0.608828 Mg\n0.905397 0.273576 0.134911 Si\n0.621341 0.511754 0.604986 Si\n0.944156 0.819446 0.357345 Si\n0.299645 0.731162 0.883567 Si\n0.038746 0.161485 0.347556 Si\n0.439334 0.071519 0.904950 Si\n0.018699 0.609823 0.166962 Si\n0.761820 0.838695 0.637141 Si\n0.560590 0.841066 0.416319 Si\n0.927908 0.723465 0.935048 Si\n0.520425 0.271362 0.111245 Si\n0.256901 0.533404 0.677661 Si\n0.390784 0.600259 0.109169 Si\n0.132873 0.837826 0.575817 Si\n0.425702 0.153441 0.328019 Si\n0.799842 0.025288 0.837592 Si\n",
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"spacegroup": 1
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{
"id": "mp-776731",
"created_at": "2022-09-04T14:39:06.480521Z",
"structure_string": "Na6 Li6 Fe4 P4 C4 O28\n1.0\n6.712749 0.000000 0.000000\n-0.012708 8.722325 0.000000\n-0.103088 -0.425418 10.161391\nNa Li Fe P C O\n6 6 4 4 4 28\ndirect\n0.257201 0.086403 0.121204 Na\n0.997613 0.259399 0.370991 Na\n0.000617 0.257323 0.876824 Na\n0.501295 0.255593 0.871842 Na\n0.499850 0.745731 0.123777 Na\n0.502128 0.739725 0.627646 Na\n0.240175 0.092848 0.618395 Li\n0.464095 0.289539 0.388522 Li\n0.972901 0.720147 0.117110 Li\n0.983201 0.723147 0.624827 Li\n0.760340 0.900456 0.378646 Li\n0.766898 0.897438 0.875605 Li\n0.744248 0.358312 0.117490 Fe\n0.749273 0.347543 0.608443 Fe\n0.242342 0.661156 0.391318 Fe\n0.242357 0.647172 0.888395 Fe\n0.246574 0.419635 0.148412 P\n0.243764 0.410059 0.642396 P\n0.746678 0.594872 0.358205 P\n0.753124 0.591381 0.857903 P\n0.760283 0.043576 0.134899 C\n0.762489 0.040844 0.636620 C\n0.262861 0.961546 0.369508 C\n0.245083 0.938245 0.848126 C\n0.283596 0.106098 0.348783 O\n0.249162 0.081674 0.820123 O\n0.753769 0.069200 0.010437 O\n0.761725 0.072981 0.513254 O\n0.744966 0.158642 0.221200 O\n0.746623 0.153308 0.725672 O\n0.062970 0.316117 0.113582 O\n0.430910 0.329710 0.096167 O\n0.063338 0.303695 0.604754 O\n0.430265 0.317693 0.593821 O\n0.266623 0.442445 0.301773 O\n0.728076 0.432298 0.414298 O\n0.253626 0.434047 0.795514 O\n0.749624 0.435047 0.924113 O\n0.227304 0.579756 0.088498 O\n0.771288 0.575618 0.205528 O\n0.229626 0.568834 0.581043 O\n0.779545 0.563246 0.705986 O\n0.561914 0.697006 0.389309 O\n0.926665 0.688981 0.417109 O\n0.562164 0.688068 0.883980 O\n0.926497 0.695063 0.914036 O\n0.244972 0.861741 0.270035 O\n0.225845 0.832693 0.754079 O\n0.256453 0.912221 0.488111 O\n0.259417 0.894378 0.968281 O\n0.780234 0.905810 0.178014 O\n0.777411 0.901538 0.675395 O\n",
"nsites": 52,
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"elements": [
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"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Li-Na-O-P",
"density": 2.854896400460166,
"density_atomic": 0.08740122253640613,
"volume": 594.9573528944621,
"volume_molar": 6.890224856398932,
"formula_full": "Na6 Li6 Fe4 P4 C4 O28",
"formula_reduced": "Na3Li3Fe2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E3F14",
"energy": -363.7256172,
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"updated_at": "2021-11-28T01:34:29.354000Z",
"spacegroup": 1
},
{
"id": "mp-1029316",
"created_at": "2022-09-04T14:39:06.312615Z",
"structure_string": "Na2 Zr1 N2\n1.0\n1.678643 -2.907495 0.000000\n1.678643 2.907495 0.000000\n0.000000 0.000000 8.885520\nNa Zr N\n2 1 2\ndirect\n0.666667 0.333333 0.293268 Na\n0.333333 0.666667 0.706732 Na\n0.000000 0.000000 0.000000 Zr\n0.666667 0.333333 0.868626 N\n0.333333 0.666667 0.131374 N\n",
"nsites": 5,
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"elements": [
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"density": 3.163104232150393,
"density_atomic": 0.05764741526252922,
"volume": 86.7341575893689,
"volume_molar": 10.446506114064038,
"formula_full": "Na2 Zr1 N2",
"formula_reduced": "Na2ZrN2",
"formula_anonymous": "AB2C2",
"energy": -31.872219150000003,
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"updated_at": "2021-11-28T01:34:30.715000Z",
"spacegroup": 164
},
{
"id": "mp-985581",
"created_at": "2022-09-04T14:39:06.731113Z",
"structure_string": "Sm1 Fe12\n1.0\n-4.504132 4.504132 2.170450\n4.504132 -4.504132 2.170450\n4.504132 4.504132 -2.170450\nSm Fe\n1 12\ndirect\n0.000000 0.000000 0.000000 Sm\n0.261389 0.500000 0.761389 Fe\n0.500000 0.261389 0.761389 Fe\n0.738611 0.500000 0.238611 Fe\n0.500000 0.738611 0.238611 Fe\n0.225097 0.225097 0.450194 Fe\n0.774903 0.225097 0.000000 Fe\n0.774903 0.774903 0.549806 Fe\n0.225097 0.774903 0.000000 Fe\n0.365529 0.000000 0.365529 Fe\n0.000000 0.365529 0.365529 Fe\n0.634471 0.000000 0.634471 Fe\n0.000000 0.634471 0.634471 Fe\n",
"nsites": 13,
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"elements": [
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],
"chemical_system": "Fe-Sm",
"density": 7.7356299582266095,
"density_atomic": 0.07380934581274354,
"volume": 176.12945700645253,
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"formula_full": "Sm1 Fe12",
"formula_reduced": "SmFe12",
"formula_anonymous": "AB12",
"energy": -102.99398376,
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"updated_at": "2021-11-28T01:34:30.162000Z",
"spacegroup": 139
},
{
"id": "mp-1210754",
"created_at": "2022-09-04T14:39:06.852813Z",
"structure_string": "Lu10 Ni4 Sb2\n1.0\n-3.700511 3.700511 6.709311\n3.700511 -3.700511 6.709311\n3.700511 3.700511 -6.709311\nLu Ni Sb\n10 4 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.000000 Lu\n0.795291 0.295291 0.817578 Lu\n0.204709 0.704709 0.182422 Lu\n0.477713 0.977713 0.182422 Lu\n0.295291 0.477713 0.500000 Lu\n0.022287 0.204709 0.500000 Lu\n0.522287 0.022287 0.817578 Lu\n0.704709 0.522287 0.500000 Lu\n0.977713 0.795291 0.500000 Lu\n0.128352 0.628352 0.756705 Ni\n0.871648 0.371648 0.243295 Ni\n0.628352 0.871648 0.500000 Ni\n0.371648 0.128352 0.500000 Ni\n0.250000 0.250000 0.000000 Sb\n0.750000 0.750000 0.000000 Sb\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Lu-Ni-Sb",
"density": 10.066902788478078,
"density_atomic": 0.04353701694616695,
"volume": 367.5033597222296,
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"formula_full": "Lu10 Ni4 Sb2",
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"formula_anonymous": "AB2C5",
"energy": -86.01462519,
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"updated_at": "2021-11-28T01:34:25.109000Z",
"spacegroup": 140
},
{
"id": "mp-1216783",
"created_at": "2022-09-04T14:39:06.896548Z",
"structure_string": "U4 Fe6 Si2\n1.0\n-2.561925 -4.468701 0.000000\n-5.123850 0.000000 0.000000\n0.000000 0.000000 -7.447170\nU Fe Si\n4 6 2\ndirect\n0.334798 0.332601 0.565968 U\n0.665202 0.667399 0.434032 U\n0.665202 0.667399 0.065968 U\n0.334798 0.332601 0.934032 U\n0.833144 0.334414 0.750000 Fe\n0.333617 0.833191 0.750000 Fe\n0.833144 0.832441 0.750000 Fe\n0.166856 0.665586 0.250000 Fe\n0.666383 0.166809 0.250000 Fe\n0.166856 0.167559 0.250000 Fe\n0.000000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n",
"nsites": 12,
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"elements": [
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"Fe",
"Si"
],
"chemical_system": "Fe-Si-U",
"density": 13.081918873642419,
"density_atomic": 0.07037400602288345,
"volume": 170.51750608169118,
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"formula_full": "U4 Fe6 Si2",
"formula_reduced": "U2Fe3Si",
"formula_anonymous": "AB2C3",
"energy": -111.2847823,
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"updated_at": "2021-11-28T01:34:41.395000Z",
"spacegroup": 194
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{
"id": "mp-1217458",
"created_at": "2022-09-04T14:39:06.231132Z",
"structure_string": "Tb1 U1 Te6\n1.0\n2.193500 -12.718985 0.000000\n2.193500 12.718985 0.000000\n0.000000 0.000000 4.388837\nTb U Te\n1 1 6\ndirect\n0.167791 0.832209 0.500000 Tb\n0.834063 0.165937 0.000000 U\n0.425135 0.574865 0.000000 Te\n0.572097 0.427903 0.500000 Te\n0.707292 0.292708 0.000000 Te\n0.296750 0.703250 0.500000 Te\n0.071633 0.928367 0.000000 Te\n0.925240 0.074760 0.500000 Te\n",
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],
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"density": 7.8830229009386015,
"density_atomic": 0.032667841957010314,
"volume": 244.88914849434218,
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"formula_full": "Tb1 U1 Te6",
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"updated_at": "2021-11-28T01:34:24.774000Z",
"spacegroup": 38
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{
"id": "mp-1100572",
"created_at": "2022-09-04T14:39:06.810782Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.889144 0.000000 0.000000\n0.000000 5.885194 0.000000\n0.000000 0.090729 17.023462\nLi Mn Co O\n9 2 5 16\ndirect\n0.500000 0.744402 0.877431 Li\n0.500000 0.253117 0.621701 Li\n0.500000 0.745812 0.363676 Li\n0.000000 0.005929 0.751314 Li\n0.000000 0.498506 0.491799 Li\n0.000000 0.000170 0.253766 Li\n0.500000 0.254682 0.134632 Li\n0.000000 0.500478 0.005957 Li\n0.000000 0.499767 0.250245 Li\n0.000000 0.995664 0.002216 Mn\n0.500000 0.750134 0.623517 Mn\n0.000000 0.495329 0.751470 Co\n0.000000 0.012342 0.494050 Co\n0.500000 0.261758 0.359492 Co\n0.500000 0.737630 0.139409 Co\n0.500000 0.254790 0.876489 Co\n0.500000 0.775304 0.997608 O\n0.500000 0.265052 0.750530 O\n0.500000 0.767354 0.510293 O\n0.000000 0.018886 0.883772 O\n0.000000 0.528215 0.623017 O\n0.000000 0.016420 0.378504 O\n0.500000 0.247029 0.254918 O\n0.000000 0.519659 0.122978 O\n0.500000 0.730676 0.741029 O\n0.500000 0.228228 0.502360 O\n0.500000 0.755325 0.243520 O\n0.000000 0.972701 0.626097 O\n0.000000 0.483431 0.375299 O\n0.000000 0.976323 0.114576 O\n0.500000 0.220087 0.003025 O\n0.000000 0.484798 0.875309 O\n",
"nsites": 32,
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"elements": [
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"Mn",
"Co",
"O"
],
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"density": 4.147729420711992,
"density_atomic": 0.11055340437874354,
"volume": 289.45286832028796,
"volume_molar": 5.447268488782871,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -207.82602416,
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"updated_at": "2021-11-28T01:34:37.415000Z",
"spacegroup": 6
},
{
"id": "mp-1246317",
"created_at": "2022-09-04T14:39:06.604367Z",
"structure_string": "Cr2 Ga4 N6\n1.0\n5.581352 -0.018158 0.000000\n-2.805184 4.860132 0.000000\n0.000000 0.000000 5.210481\nCr Ga N\n2 4 6\ndirect\n0.000000 0.652873 0.491702 Cr\n0.000000 0.347127 0.991702 Cr\n0.336336 0.330486 0.494906 Ga\n0.663664 0.994150 0.494906 Ga\n0.663664 0.669514 0.994906 Ga\n0.336336 0.005850 0.994906 Ga\n0.332997 0.333952 0.871515 N\n0.667003 0.000955 0.871515 N\n0.667003 0.666048 0.371515 N\n0.332997 0.999045 0.371515 N\n0.000000 0.673991 0.863456 N\n0.000000 0.326009 0.363456 N\n",
"nsites": 12,
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"elements": [
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"Ga",
"N"
],
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"density": 5.495998977239558,
"density_atomic": 0.08506134047188069,
"volume": 141.07466368892838,
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"formula_full": "Cr2 Ga4 N6",
"formula_reduced": "CrGa2N3",
"formula_anonymous": "AB2C3",
"energy": -86.83047056,
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"spacegroup": 36
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{
"id": "mp-1177426",
"created_at": "2022-09-04T14:39:06.752068Z",
"structure_string": "Li4 Fe3 Cu2 Sn3 O16\n1.0\n6.132694 0.009000 0.007632\n-3.058552 5.297499 0.000009\n0.012386 0.007170 9.680245\nLi Fe Cu Sn O\n4 3 2 3 16\ndirect\n0.339727 0.669881 0.889414 Li\n0.979959 0.989978 0.992584 Li\n0.985292 0.992668 0.500094 Li\n0.668654 0.334355 0.395736 Li\n0.663787 0.831908 0.212988 Fe\n0.831722 0.661719 0.712540 Fe\n0.831723 0.170030 0.712544 Fe\n0.338943 0.669475 0.489483 Cu\n0.675098 0.337577 0.984603 Cu\n0.171045 0.831715 0.213358 Sn\n0.171039 0.339335 0.213353 Sn\n0.342467 0.171247 0.712754 Sn\n0.159257 0.830892 0.599438 O\n0.035778 0.517891 0.345393 O\n0.341197 0.670607 0.096415 O\n0.993611 0.996812 0.315842 O\n0.991738 0.995859 0.808427 O\n0.159251 0.328383 0.599445 O\n0.486205 0.960681 0.344080 O\n0.486203 0.525538 0.344074 O\n0.322815 0.161415 0.094037 O\n0.668524 0.834288 0.607037 O\n0.528671 0.486602 0.843215 O\n0.528670 0.042090 0.843207 O\n0.678873 0.339482 0.600406 O\n0.830977 0.671428 0.100368 O\n0.957796 0.478890 0.836641 O\n0.830975 0.159556 0.100361 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 4.930128903442078,
"density_atomic": 0.08895750725871508,
"volume": 314.75702122101524,
"volume_molar": 6.7696824535402165,
"formula_full": "Li4 Fe3 Cu2 Sn3 O16",
"formula_reduced": "Li4Fe3Cu2Sn3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -180.43089486,
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{
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"created_at": "2022-09-04T14:39:06.407488Z",
"structure_string": "K4 Mo8 O26\n1.0\n8.248811 0.000000 0.000000\n-2.849143 8.044143 0.000000\n-2.342126 -4.101776 9.190008\nK Mo O\n4 8 26\ndirect\n0.310890 0.351393 0.430333 K\n0.689110 0.648607 0.569667 K\n0.375525 0.925897 0.309432 K\n0.624475 0.074103 0.690568 K\n0.765032 0.455908 0.050941 Mo\n0.234968 0.544092 0.949059 Mo\n0.769255 0.846074 0.062043 Mo\n0.230745 0.153926 0.937957 Mo\n0.047986 0.875165 0.731044 Mo\n0.952014 0.124835 0.268956 Mo\n0.065189 0.493531 0.709858 Mo\n0.934811 0.506469 0.290142 Mo\n0.694647 0.978121 0.962022 O\n0.305353 0.021879 0.037978 O\n0.068076 0.979854 0.882938 O\n0.931924 0.020146 0.117062 O\n0.286267 0.007062 0.611230 O\n0.713733 0.992938 0.388770 O\n0.768932 0.689954 0.945875 O\n0.231068 0.310046 0.054125 O\n0.534586 0.326821 0.183260 O\n0.465414 0.673179 0.816740 O\n0.295678 0.615172 0.570820 O\n0.704322 0.384828 0.429180 O\n0.978135 0.682431 0.664322 O\n0.021865 0.317569 0.335678 O\n0.877992 0.639414 0.145262 O\n0.122008 0.360586 0.854738 O\n0.775012 0.376150 0.909483 O\n0.224988 0.623850 0.090517 O\n0.952419 0.339050 0.647210 O\n0.047581 0.660950 0.352790 O\n0.932509 0.984995 0.658800 O\n0.067491 0.015005 0.341200 O\n0.098428 0.649851 0.864253 O\n0.901572 0.350149 0.135747 O\n0.570512 0.716270 0.227790 O\n0.429488 0.283730 0.772210 O\n",
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"elements": [
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},
{
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"elements": [
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],
"chemical_system": "Cl-Sc",
"density": 2.525690550772592,
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"volume": 334.2547141098796,
"volume_molar": 15.484068754332716,
"formula_full": "Sc5 Cl8",
"formula_reduced": "Sc5Cl8",
"formula_anonymous": "A5B8",
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"updated_at": "2021-11-28T01:34:27.477000Z",
"spacegroup": 12
}
]
}