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{
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"results": [
{
"id": "mp-1077063",
"created_at": "2022-09-04T14:39:19.201064Z",
"structure_string": "La4 Bi2\n1.0\n-2.366167 2.366167 9.261109\n2.366167 -2.366167 9.261109\n2.366167 2.366167 -9.261109\nLa Bi\n4 2\ndirect\n0.000000 0.500000 0.500000 La\n0.500000 0.000000 0.500000 La\n0.678064 0.678064 0.000000 La\n0.321936 0.321936 0.000000 La\n0.861560 0.861560 0.000000 Bi\n0.138440 0.138440 0.000000 Bi\n",
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{
"id": "mp-1227340",
"created_at": "2022-09-04T14:43:24.725261Z",
"structure_string": "Bi1 Sb1 Te3\n1.0\n10.445181 -2.193766 0.000000\n10.445181 2.193766 0.000000\n9.984432 0.000000 3.771676\nBi Sb Te\n1 1 3\ndirect\n0.601724 0.601724 0.601724 Bi\n0.398606 0.398606 0.398606 Sb\n0.002003 0.002003 0.002003 Te\n0.212023 0.212023 0.212023 Te\n0.785645 0.785645 0.785645 Te\n",
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"updated_at": "2021-11-28T01:36:13.740000Z",
"spacegroup": 160
},
{
"id": "mp-1110876",
"created_at": "2022-09-04T14:44:56.288650Z",
"structure_string": "K3 Tm1 Cl6\n1.0\n0.000000 5.570695 5.570695\n5.570695 0.000000 5.570695\n5.570695 5.570695 0.000000\nK Tm Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Tm\n0.767194 0.232806 0.232806 Cl\n0.232806 0.232806 0.767194 Cl\n0.232806 0.767194 0.767194 Cl\n0.232806 0.767194 0.232806 Cl\n0.767194 0.232806 0.767194 Cl\n0.767194 0.767194 0.232806 Cl\n",
"nsites": 10,
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"elements": [
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"density": 2.3963236272629778,
"density_atomic": 0.028922901657609495,
"volume": 345.74677597636685,
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"formula_full": "K3 Tm1 Cl6",
"formula_reduced": "K3TmCl6",
"formula_anonymous": "AB3C6",
"energy": -43.2161803,
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"updated_at": "2021-11-28T01:36:47.492000Z",
"spacegroup": 225
},
{
"id": "mp-14643",
"created_at": "2022-09-04T14:44:22.873910Z",
"structure_string": "Er8 Te12\n1.0\n0.000000 6.127624 12.981154\n4.346673 0.000000 12.981154\n4.346673 6.127624 0.000000\nEr Te\n8 12\ndirect\n0.000469 0.000469 0.499531 Er\n0.499531 0.499531 0.000469 Er\n0.249531 0.249531 0.750469 Er\n0.750469 0.750469 0.249531 Er\n0.667319 0.667319 0.832681 Er\n0.832681 0.832681 0.667319 Er\n0.582681 0.582681 0.417319 Er\n0.417319 0.417319 0.582681 Er\n0.668723 0.165731 0.830546 Te\n0.335000 0.830546 0.165731 Te\n0.830546 0.335000 0.668723 Te\n0.165731 0.668723 0.335000 Te\n0.581277 0.084269 0.419454 Te\n0.915000 0.419454 0.084269 Te\n0.419454 0.915000 0.581277 Te\n0.084269 0.581277 0.915000 Te\n0.751404 0.248596 0.248596 Te\n0.248596 0.751404 0.751404 Te\n0.498596 0.001404 0.001404 Te\n0.001404 0.498596 0.498596 Te\n",
"nsites": 20,
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"volume": 691.5003046241047,
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"formula_full": "Er8 Te12",
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"formula_anonymous": "A2B3",
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"spacegroup": 70
},
{
"id": "mp-30332",
"created_at": "2022-09-04T14:44:10.704302Z",
"structure_string": "Ba2 Ag2 Bi2\n1.0\n2.916488 -5.051505 0.000000\n2.916488 5.051505 0.000000\n0.000000 0.000000 7.040773\nBa Ag Bi\n2 2 2\ndirect\n0.333333 0.666667 0.250000 Ba\n0.666667 0.333333 0.750000 Ba\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.333333 0.666667 0.750000 Bi\n0.666667 0.333333 0.250000 Bi\n",
"nsites": 6,
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"density": 7.270622104318032,
"density_atomic": 0.02892144122676448,
"volume": 207.4585409819577,
"volume_molar": 20.8224089276263,
"formula_full": "Ba2 Ag2 Bi2",
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"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:36:31.655000Z",
"spacegroup": 194
},
{
"id": "mp-1112033",
"created_at": "2022-09-04T14:42:47.101402Z",
"structure_string": "K2 Hg1 Bi1 Cl6\n1.0\n0.000000 5.570835 5.570835\n5.570835 0.000000 5.570835\n5.570835 5.570835 0.000000\nK Hg Bi Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Bi\n0.755912 0.244088 0.244088 Cl\n0.244088 0.244088 0.755912 Cl\n0.244088 0.755912 0.755912 Cl\n0.244088 0.755912 0.244088 Cl\n0.755912 0.244088 0.755912 Cl\n0.755912 0.755912 0.244088 Cl\n",
"nsites": 10,
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"elements": [
"K",
"Hg",
"Bi",
"Cl"
],
"chemical_system": "Bi-Cl-Hg-K",
"density": 3.3640082732879715,
"density_atomic": 0.02892072113827651,
"volume": 345.7728440514238,
"volume_molar": 20.822927378632027,
"formula_full": "K2 Hg1 Bi1 Cl6",
"formula_reduced": "K2HgBiCl6",
"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:35:55.621000Z",
"spacegroup": 225
},
{
"id": "mp-863758",
"created_at": "2022-09-04T14:43:34.124142Z",
"structure_string": "K4 Sr2 Cd2 Sb4\n1.0\n4.997119 0.000000 0.000000\n0.000000 8.326006 0.000000\n0.000000 0.000000 9.973139\nK Sr Cd Sb\n4 2 2 4\ndirect\n0.500000 0.024867 0.422269 K\n0.000000 0.340920 0.337570 K\n0.500000 0.524867 0.577731 K\n0.000000 0.840920 0.662430 K\n0.000000 0.496069 0.954097 Sr\n0.000000 0.996069 0.045903 Sr\n0.500000 0.151804 0.824433 Cd\n0.500000 0.651804 0.175567 Cd\n0.000000 0.249437 0.684902 Sb\n0.500000 0.282423 0.109571 Sb\n0.000000 0.749437 0.315098 Sb\n0.500000 0.782423 0.890429 Sb\n",
"nsites": 12,
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"elements": [
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"Sb"
],
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"density": 4.175911343884969,
"density_atomic": 0.028919645349030795,
"volume": 414.94284785211465,
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"formula_full": "K4 Sr2 Cd2 Sb4",
"formula_reduced": "K2SrCdSb2",
"formula_anonymous": "ABC2D2",
"energy": -34.36280091,
"energy_per_atom": -2.8635667424999998,
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"updated_at": "2021-11-28T01:36:13.774000Z",
"spacegroup": 26
},
{
"id": "mp-1186647",
"created_at": "2022-09-04T14:47:39.371186Z",
"structure_string": "Pm2 Sm6\n1.0\n3.657498 -6.334973 0.000000\n3.657498 6.334973 0.000000\n0.000000 0.000000 5.969788\nPm Sm\n2 6\ndirect\n0.666667 0.333333 0.250000 Pm\n0.333333 0.666667 0.750000 Pm\n0.833827 0.166173 0.750000 Sm\n0.332346 0.166173 0.750000 Sm\n0.833827 0.667654 0.750000 Sm\n0.166173 0.833827 0.250000 Sm\n0.667654 0.833827 0.250000 Sm\n0.166173 0.332346 0.250000 Sm\n",
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"density": 7.155926540190884,
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"formula_full": "Pm2 Sm6",
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"updated_at": "2021-11-28T01:38:12.037000Z",
"spacegroup": 194
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{
"id": "mp-1224556",
"created_at": "2022-09-04T14:42:15.782400Z",
"structure_string": "Hf3 Ti1 Te20\n1.0\n2.002557 -7.545360 0.000000\n2.002557 7.545360 0.000000\n0.000000 0.000000 27.463541\nHf Ti Te\n3 1 20\ndirect\n0.684536 0.315464 0.500000 Hf\n0.315446 0.684554 0.249685 Hf\n0.315446 0.684554 0.750315 Hf\n0.684318 0.315682 0.000000 Ti\n0.079856 0.920144 0.049787 Te\n0.074302 0.925698 0.550579 Te\n0.925790 0.074210 0.199250 Te\n0.925624 0.074376 0.699591 Te\n0.079856 0.920144 0.950213 Te\n0.074302 0.925698 0.449421 Te\n0.925624 0.074376 0.300409 Te\n0.925790 0.074210 0.800750 Te\n0.667473 0.332527 0.249918 Te\n0.667473 0.332527 0.750082 Te\n0.326743 0.673257 0.000000 Te\n0.332755 0.667245 0.500000 Te\n0.785720 0.214280 0.089354 Te\n0.788613 0.211387 0.591807 Te\n0.211479 0.788521 0.157516 Te\n0.211522 0.788478 0.658351 Te\n0.785720 0.214280 0.910646 Te\n0.788613 0.211387 0.408193 Te\n0.211522 0.788478 0.341649 Te\n0.211479 0.788521 0.842484 Te\n",
"nsites": 24,
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"elements": [
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"formula_full": "Hf3 Ti1 Te20",
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"spacegroup": 38
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{
"id": "mp-1227290",
"created_at": "2022-09-04T14:45:42.896396Z",
"structure_string": "Bi1 Sb1\n1.0\n4.153508 -2.249653 0.000000\n4.153508 2.249653 0.000000\n2.935035 0.000000 3.701099\nBi Sb\n1 1\ndirect\n0.767696 0.767696 0.767696 Bi\n0.232304 0.232304 0.232304 Sb\n",
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"elements": [
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"volume": 69.16578082806613,
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"formula_full": "Bi1 Sb1",
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"updated_at": "2021-11-28T01:37:11.500000Z",
"spacegroup": 160
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{
"id": "mp-867200",
"created_at": "2022-09-04T14:41:27.638568Z",
"structure_string": "Pm4\n1.0\n1.837611 -3.182835 0.000000\n1.837611 3.182835 0.000000\n0.000000 0.000000 11.825740\nPm\n4\ndirect\n0.000000 0.000000 0.000000 Pm\n0.333333 0.666667 0.250000 Pm\n0.000000 0.000000 0.500000 Pm\n0.666667 0.333333 0.750000 Pm\n",
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"volume": 138.33307440258386,
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"spacegroup": 194
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{
"id": "mp-29459",
"created_at": "2022-09-04T14:47:08.638292Z",
"structure_string": "Rb6 Mo4 Br18\n1.0\n3.856053 -6.678881 0.000000\n3.856053 6.678881 0.000000\n0.000000 0.000000 18.799706\nRb Mo Br\n6 4 18\ndirect\n0.000000 0.000000 0.250000 Rb\n0.000000 0.000000 0.750000 Rb\n0.333333 0.666667 0.063259 Rb\n0.666667 0.333333 0.563259 Rb\n0.333333 0.666667 0.436741 Rb\n0.666667 0.333333 0.936741 Rb\n0.333333 0.666667 0.826004 Mo\n0.666667 0.333333 0.326004 Mo\n0.666667 0.333333 0.173996 Mo\n0.333333 0.666667 0.673996 Mo\n0.824410 0.175590 0.405531 Br\n0.824410 0.648819 0.405531 Br\n0.351181 0.175590 0.405531 Br\n0.648819 0.824410 0.905531 Br\n0.175590 0.351181 0.594469 Br\n0.175590 0.824410 0.905531 Br\n0.175590 0.351181 0.905531 Br\n0.824410 0.175590 0.094469 Br\n0.351181 0.175590 0.094469 Br\n0.648819 0.824410 0.594469 Br\n0.501716 0.003432 0.250000 Br\n0.498284 0.501716 0.750000 Br\n0.003432 0.501716 0.750000 Br\n0.996568 0.498284 0.250000 Br\n0.501716 0.498284 0.250000 Br\n0.498284 0.996568 0.750000 Br\n0.824410 0.648819 0.094469 Br\n0.175590 0.824410 0.594469 Br\n",
"nsites": 28,
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"formula_full": "Rb6 Mo4 Br18",
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"formula_anonymous": "A2B3C9",
"energy": -119.26275862,
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]
}