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{
"id": "mp-1187935",
"created_at": "2022-09-04T14:43:22.186059Z",
"structure_string": "Zn1 Ga1 Ni2\n1.0\n0.000000 2.898702 2.898702\n2.898702 0.000000 2.898702\n2.898702 2.898702 0.000000\nZn Ga Ni\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Ga\n0.250000 0.250000 0.250000 Ni\n0.750000 0.750000 0.750000 Ni\n",
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{
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},
{
"id": "mp-1191849",
"created_at": "2022-09-04T14:48:10.580272Z",
"structure_string": "Cu8 Sn4 Se12\n1.0\n6.115294 3.534937 0.000000\n-6.115294 3.534937 0.000000\n0.000000 2.304740 13.259942\nCu Sn Se\n8 4 12\ndirect\n0.084837 0.919717 0.741447 Cu\n0.919717 0.084837 0.241447 Cu\n0.233807 0.740120 0.243460 Cu\n0.740120 0.233807 0.743460 Cu\n0.154750 0.313509 0.491517 Cu\n0.313509 0.154750 0.991517 Cu\n0.835697 0.656954 0.492045 Cu\n0.656954 0.835697 0.992045 Cu\n0.496088 0.003500 0.500832 Sn\n0.003500 0.496088 0.000832 Sn\n0.426328 0.576658 0.749583 Sn\n0.576658 0.426328 0.249583 Sn\n0.117267 0.967198 0.559957 Se\n0.967198 0.117267 0.059957 Se\n0.476542 0.615473 0.548159 Se\n0.615473 0.476542 0.048159 Se\n0.559958 0.039782 0.299034 Se\n0.039782 0.559958 0.799034 Se\n0.833412 0.327427 0.560947 Se\n0.327427 0.833412 0.060947 Se\n0.391627 0.200179 0.809880 Se\n0.200179 0.391627 0.309880 Se\n0.750630 0.912139 0.810440 Se\n0.912139 0.750630 0.310440 Se\n",
"nsites": 24,
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"elements": [
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"chemical_system": "Cu-Se-Sn",
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"volume": 573.2850801894294,
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"formula_full": "Cu8 Sn4 Se12",
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"formula_anonymous": "AB2C3",
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"updated_at": "2021-11-28T01:38:26.831000Z",
"spacegroup": 9
},
{
"id": "mp-1860697",
"created_at": "2022-09-04T14:39:07.968223Z",
"structure_string": "Zn2 Cu2 F8\n1.0\n4.700143 -0.006861 -2.183970\n-0.997630 4.563348 -2.156819\n0.015886 0.056277 6.240291\nZn Cu F\n2 2 8\ndirect\n0.255233 0.250461 0.501333 Zn\n0.752562 0.747382 0.500230 Zn\n0.997597 0.501955 0.999197 Cu\n0.498365 0.998761 0.001163 Cu\n0.949633 0.443061 0.266442 F\n0.680784 0.175618 0.729670 F\n0.048182 0.558900 0.732202 F\n0.181270 0.057425 0.734285 F\n0.322013 0.818355 0.268627 F\n0.453011 0.320910 0.273059 F\n0.820788 0.945467 0.269538 F\n0.548770 0.675513 0.734436 F\n",
"nsites": 12,
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"elements": [
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"chemical_system": "Cu-F-Zn",
"density": 5.054841883265764,
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"volume": 134.6531448694906,
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"formula_full": "Zn2 Cu2 F8",
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"formula_anonymous": "ABC4",
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"updated_at": "2021-11-28T01:34:36.803000Z",
"spacegroup": 46
},
{
"id": "mp-1178005",
"created_at": "2022-09-04T14:44:43.072259Z",
"structure_string": "Li4 Cu8 S6\n1.0\n1.898769 7.420055 0.000000\n-1.898769 7.420055 0.000000\n0.000000 3.203059 9.506219\nLi Cu S\n4 8 6\ndirect\n0.835482 0.835482 0.849220 Li\n0.308414 0.308414 0.352248 Li\n0.691586 0.691586 0.647752 Li\n0.164518 0.164518 0.150780 Li\n0.484814 0.484814 0.881933 Cu\n0.469477 0.469477 0.635454 Cu\n0.898918 0.898918 0.513582 Cu\n0.898674 0.898674 0.099458 Cu\n0.101326 0.101326 0.900542 Cu\n0.101082 0.101082 0.486418 Cu\n0.530523 0.530523 0.364546 Cu\n0.515186 0.515186 0.118067 Cu\n0.970086 0.970086 0.274602 S\n0.318005 0.318005 0.622177 S\n0.338483 0.338483 0.043311 S\n0.661517 0.661517 0.956689 S\n0.681995 0.681995 0.377823 S\n0.029914 0.029914 0.725398 S\n",
"nsites": 18,
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"elements": [
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"chemical_system": "Cu-Li-S",
"density": 4.516215955403476,
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"volume": 267.8656764475931,
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"formula_full": "Li4 Cu8 S6",
"formula_reduced": "Li2Cu4S3",
"formula_anonymous": "A2B3C4",
"energy": -77.34390267,
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"updated_at": "2021-11-28T01:36:46.088000Z",
"spacegroup": 12
},
{
"id": "mp-561827",
"created_at": "2022-09-04T14:40:07.245502Z",
"structure_string": "Cs3 Tl1 F6\n1.0\n-3.549721 3.549721 5.156875\n3.549721 -3.549721 5.156875\n3.549721 3.549721 -5.156875\nCs Tl F\n3 1 6\ndirect\n0.500000 0.500000 0.000000 Cs\n0.250000 0.750000 0.500000 Cs\n0.750000 0.250000 0.500000 Cs\n0.000000 0.000000 0.000000 Tl\n0.694066 0.000000 0.694066 F\n0.777038 0.777038 0.000000 F\n0.000000 0.694066 0.694066 F\n0.222962 0.222962 0.000000 F\n0.305934 0.000000 0.305934 F\n0.000000 0.305934 0.305934 F\n",
"nsites": 10,
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"elements": [
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"F"
],
"chemical_system": "Cs-F-Tl",
"density": 4.581289890969622,
"density_atomic": 0.038473789501501224,
"volume": 259.91720934091524,
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"formula_full": "Cs3 Tl1 F6",
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"updated_at": "2021-11-28T01:34:52.901000Z",
"spacegroup": 139
},
{
"id": "mp-756163",
"created_at": "2022-09-04T14:40:22.612330Z",
"structure_string": "Li4 Cu8 S6\n1.0\n1.898863 7.393806 0.000000\n-1.898863 7.393806 0.000000\n0.000000 3.139868 9.502993\nLi Cu S\n4 8 6\ndirect\n0.829266 0.844035 0.346908 Li\n0.313312 0.300033 0.854328 Li\n0.699967 0.686688 0.145672 Li\n0.155965 0.170734 0.653092 Li\n0.490477 0.475666 0.382049 Cu\n0.469762 0.469560 0.133318 Cu\n0.899733 0.898630 0.011562 Cu\n0.900840 0.891670 0.601062 Cu\n0.108330 0.099160 0.398938 Cu\n0.101370 0.100267 0.988438 Cu\n0.530440 0.530238 0.866682 Cu\n0.524334 0.509523 0.617951 Cu\n0.977953 0.963525 0.773157 S\n0.317906 0.316846 0.119246 S\n0.341112 0.332620 0.541870 S\n0.667380 0.658888 0.458130 S\n0.683154 0.682094 0.880754 S\n0.036475 0.022047 0.226843 S\n",
"nsites": 18,
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"density": 4.533563260121122,
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"volume": 266.84071059929244,
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"formula_full": "Li4 Cu8 S6",
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"spacegroup": 5
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{
"id": "mp-554310",
"created_at": "2022-09-04T14:44:05.221125Z",
"structure_string": "Tl1 Bi1 S2\n1.0\n7.556528 -2.074949 0.000000\n7.556528 2.074949 0.000000\n6.986767 0.000000 3.548467\nTl Bi S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Bi\n0.736961 0.736961 0.736961 S\n0.263039 0.263039 0.263039 S\n",
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{
"id": "mp-1209523",
"created_at": "2022-09-04T14:42:12.056424Z",
"structure_string": "Rb6 Sc4 Br18\n1.0\n3.839041 -6.649414 0.000000\n3.839041 6.649414 0.000000\n0.000000 0.000000 19.692850\nRb Sc Br\n6 4 18\ndirect\n0.333333 0.666667 0.070234 Rb\n0.666667 0.333333 0.929766 Rb\n0.666667 0.333333 0.570234 Rb\n0.333333 0.666667 0.429766 Rb\n0.000000 0.000000 0.250000 Rb\n0.000000 0.000000 0.750000 Rb\n0.333333 0.666667 0.656662 Sc\n0.666667 0.333333 0.343338 Sc\n0.666667 0.333333 0.156662 Sc\n0.333333 0.666667 0.843338 Sc\n0.168325 0.336651 0.589705 Br\n0.831675 0.663349 0.410295 Br\n0.663349 0.831675 0.589705 Br\n0.831675 0.663349 0.089705 Br\n0.336651 0.168325 0.410295 Br\n0.168325 0.336651 0.910295 Br\n0.168325 0.831675 0.589705 Br\n0.336651 0.168325 0.089705 Br\n0.831675 0.168325 0.410295 Br\n0.663349 0.831675 0.910295 Br\n0.831675 0.168325 0.089705 Br\n0.168325 0.831675 0.910295 Br\n0.509332 0.018665 0.250000 Br\n0.490668 0.981335 0.750000 Br\n0.981335 0.490668 0.250000 Br\n0.018665 0.509332 0.750000 Br\n0.509332 0.490668 0.250000 Br\n0.490668 0.509332 0.750000 Br\n",
"nsites": 28,
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"elements": [
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],
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"density": 3.5193946819873743,
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"volume": 1005.4134536622763,
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"formula_full": "Rb6 Sc4 Br18",
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"formula_anonymous": "A2B3C9",
"energy": -120.29959666,
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{
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"formula_full": "Yb12 Al86 Mo8",
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"updated_at": "2021-11-28T01:35:36.780000Z",
"spacegroup": 193
},
{
"id": "mp-1025225",
"created_at": "2022-09-04T14:45:08.230942Z",
"structure_string": "Er1 Ga5 Co1\n1.0\n4.217638 0.000000 0.000000\n0.000000 4.217638 0.000000\n0.000000 0.000000 6.807548\nEr Ga Co\n1 5 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.000000 0.500000 0.309784 Ga\n0.000000 0.500000 0.690216 Ga\n0.500000 0.000000 0.309784 Ga\n0.500000 0.000000 0.690216 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.500000 Co\n",
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{
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"structure_string": "Dy6 Ga19 Pt3\n1.0\n2.205283 7.796388 0.000000\n-2.205283 7.796388 0.000000\n0.000000 3.574319 15.211677\nDy Ga Pt\n6 19 3\ndirect\n0.749215 0.749215 0.751657 Dy\n0.251488 0.251488 0.247463 Dy\n0.601263 0.601263 0.593837 Dy\n0.093185 0.093185 0.091861 Dy\n0.907504 0.907504 0.907370 Dy\n0.399541 0.399541 0.407281 Dy\n0.820095 0.820095 0.540148 Ga\n0.317980 0.317980 0.045314 Ga\n0.683731 0.683731 0.955996 Ga\n0.179779 0.179779 0.458162 Ga\n0.545661 0.545661 0.815260 Ga\n0.038485 0.038485 0.321519 Ga\n0.960812 0.960812 0.676994 Ga\n0.455005 0.455005 0.181067 Ga\n0.269264 0.269264 0.894781 Ga\n0.761618 0.761618 0.393032 Ga\n0.238598 0.238598 0.604359 Ga\n0.732590 0.732590 0.109433 Ga\n0.397478 0.397478 0.764374 Ga\n0.891661 0.891661 0.267695 Ga\n0.108942 0.108942 0.731490 Ga\n0.602959 0.602959 0.235064 Ga\n0.495769 0.495769 0.002728 Ga\n0.000070 0.000070 0.499822 Ga\n0.102686 0.102686 0.897963 Ga\n0.595560 0.595560 0.400294 Pt\n0.402770 0.402770 0.601201 Pt\n0.896292 0.896292 0.103834 Pt\n",
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}
]
}