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"results": [
{
"id": "mp-1220783",
"created_at": "2022-09-04T14:41:52.914817Z",
"structure_string": "Na10 Sr2 Nb2 P8\n1.0\n8.103166 4.672398 0.000000\n-8.103166 4.672398 0.000000\n0.000000 0.007811 7.364443\nNa Sr Nb P\n10 2 2 8\ndirect\n0.534014 0.472117 0.613327 Na\n0.937627 0.471030 0.613295 Na\n0.472117 0.534014 0.113327 Na\n0.471030 0.937627 0.113295 Na\n0.138298 0.853254 0.784108 Na\n0.711559 0.849283 0.790083 Na\n0.146675 0.289249 0.779947 Na\n0.853254 0.138298 0.284108 Na\n0.289249 0.146675 0.279947 Na\n0.849283 0.711559 0.290083 Na\n0.532587 0.062405 0.608978 Sr\n0.062405 0.532587 0.108978 Sr\n0.332924 0.662402 0.500921 Nb\n0.662402 0.332924 0.000921 Nb\n0.808295 0.194156 0.896809 P\n0.383554 0.190612 0.893772 P\n0.810411 0.615646 0.901079 P\n0.194156 0.808295 0.396809 P\n0.615646 0.810411 0.401079 P\n0.190612 0.383554 0.393772 P\n0.333840 0.670061 0.827880 P\n0.670061 0.333840 0.327880 P\n",
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{
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"updated_at": "2021-11-28T01:38:01.178000Z",
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},
{
"id": "mp-1212622",
"created_at": "2022-09-04T14:39:24.601198Z",
"structure_string": "Ge38 Sb8 I8\n1.0\n11.103279 0.000000 0.000000\n0.000000 11.103279 0.000000\n0.000000 0.000000 11.103279\nGe Sb I\n38 8 8\ndirect\n0.323354 0.323354 0.323354 Ge\n0.676646 0.676646 0.323354 Ge\n0.676646 0.323354 0.676646 Ge\n0.823354 0.823354 0.823354 Ge\n0.323354 0.676646 0.676646 Ge\n0.176646 0.176646 0.823354 Ge\n0.823354 0.176646 0.176646 Ge\n0.176646 0.823354 0.176646 Ge\n0.990158 0.114705 0.315096 Ge\n0.009842 0.885295 0.315096 Ge\n0.009842 0.114705 0.684904 Ge\n0.315096 0.990158 0.114705 Ge\n0.614705 0.490158 0.815096 Ge\n0.990158 0.885295 0.684904 Ge\n0.315096 0.009842 0.885295 Ge\n0.385295 0.509842 0.815096 Ge\n0.684904 0.009842 0.114705 Ge\n0.614705 0.509842 0.184904 Ge\n0.684904 0.990158 0.885295 Ge\n0.385295 0.490158 0.184904 Ge\n0.114705 0.315096 0.990158 Ge\n0.490158 0.815096 0.614705 Ge\n0.114705 0.684904 0.009842 Ge\n0.509842 0.184904 0.614705 Ge\n0.885295 0.684904 0.990158 Ge\n0.490158 0.184904 0.385295 Ge\n0.885295 0.315096 0.009842 Ge\n0.509842 0.815096 0.385295 Ge\n0.815096 0.614705 0.490158 Ge\n0.815096 0.385295 0.509842 Ge\n0.184904 0.385295 0.490158 Ge\n0.184904 0.614705 0.509842 Ge\n0.250000 0.500000 0.000000 Ge\n0.750000 0.500000 0.000000 Ge\n0.000000 0.250000 0.500000 Ge\n0.000000 0.750000 0.500000 Ge\n0.500000 0.000000 0.250000 Ge\n0.500000 0.000000 0.750000 Ge\n0.184631 0.184631 0.184631 Sb\n0.815369 0.815369 0.184631 Sb\n0.815369 0.184631 0.815369 Sb\n0.684631 0.684631 0.684631 Sb\n0.184631 0.815369 0.815369 Sb\n0.315369 0.315369 0.684631 Sb\n0.684631 0.315369 0.315369 Sb\n0.315369 0.684631 0.315369 Sb\n0.250000 0.000000 0.500000 I\n0.750000 0.000000 0.500000 I\n0.500000 0.250000 0.000000 I\n0.500000 0.750000 0.000000 I\n0.000000 0.500000 0.250000 I\n0.000000 0.500000 0.750000 I\n0.000000 0.000000 0.000000 I\n0.500000 0.500000 0.500000 I\n",
"nsites": 54,
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"elements": [
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"formula_full": "Ge38 Sb8 I8",
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"updated_at": "2021-11-28T01:34:35.518000Z",
"spacegroup": 218
},
{
"id": "mp-27800",
"created_at": "2022-09-04T14:43:59.264604Z",
"structure_string": "K8 Ge46\n1.0\n11.103330 0.000000 0.000000\n0.000000 11.103330 0.000000\n0.000000 0.000000 11.103330\nK Ge\n8 46\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 K\n0.250000 0.500000 0.000000 K\n0.750000 0.500000 0.000000 K\n0.500000 0.000000 0.250000 K\n0.500000 0.000000 0.750000 K\n0.000000 0.750000 0.500000 K\n0.000000 0.250000 0.500000 K\n0.250000 0.000000 0.500000 Ge\n0.750000 0.000000 0.500000 Ge\n0.000000 0.500000 0.250000 Ge\n0.000000 0.500000 0.750000 Ge\n0.500000 0.750000 0.000000 Ge\n0.500000 0.250000 0.000000 Ge\n0.184455 0.184455 0.184455 Ge\n0.684455 0.315545 0.684455 Ge\n0.684455 0.684455 0.315545 Ge\n0.315545 0.684455 0.684455 Ge\n0.815545 0.815545 0.184455 Ge\n0.184455 0.815545 0.815545 Ge\n0.815545 0.184455 0.815545 Ge\n0.315545 0.315545 0.315545 Ge\n0.815545 0.815545 0.815545 Ge\n0.315545 0.684455 0.315545 Ge\n0.315545 0.315545 0.684455 Ge\n0.684455 0.315545 0.315545 Ge\n0.184455 0.184455 0.815545 Ge\n0.815545 0.184455 0.184455 Ge\n0.184455 0.815545 0.184455 Ge\n0.684455 0.684455 0.684455 Ge\n0.000000 0.306287 0.118958 Ge\n0.500000 0.381042 0.806287 Ge\n0.500000 0.618958 0.193713 Ge\n0.618958 0.806287 0.500000 Ge\n0.381042 0.806287 0.500000 Ge\n0.193713 0.500000 0.618958 Ge\n0.806287 0.500000 0.618958 Ge\n0.118958 0.000000 0.306287 Ge\n0.306287 0.118958 0.000000 Ge\n0.693713 0.881042 0.000000 Ge\n0.118958 0.000000 0.693713 Ge\n0.693713 0.118958 0.000000 Ge\n0.881042 0.000000 0.306287 Ge\n0.881042 0.000000 0.693713 Ge\n0.306287 0.881042 0.000000 Ge\n0.000000 0.693713 0.881042 Ge\n0.000000 0.306287 0.881042 Ge\n0.000000 0.693713 0.118958 Ge\n0.806287 0.500000 0.381042 Ge\n0.193713 0.500000 0.381042 Ge\n0.618958 0.193713 0.500000 Ge\n0.381042 0.193713 0.500000 Ge\n0.500000 0.618958 0.806287 Ge\n0.500000 0.381042 0.193713 Ge\n",
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"elements": [
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"density_atomic": 0.039448820000004804,
"volume": 1368.8622371972958,
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"formula_full": "K8 Ge46",
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},
{
"id": "mp-1221581",
"created_at": "2022-09-04T14:40:56.901287Z",
"structure_string": "Mn1 Hg2 S3\n1.0\n2.082236 -3.606539 0.000000\n2.082236 3.606539 0.000000\n0.000000 0.000000 10.126695\nMn Hg S\n1 2 3\ndirect\n0.333333 0.666667 0.663377 Mn\n0.000000 0.000000 0.995127 Hg\n0.666667 0.333333 0.342709 Hg\n0.000000 0.000000 0.249155 S\n0.666667 0.333333 0.599547 S\n0.333333 0.666667 0.900086 S\n",
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{
"id": "mp-1198478",
"created_at": "2022-09-04T14:41:55.510523Z",
"structure_string": "Br8 N24\n1.0\n-7.038420 7.038420 4.093646\n7.038420 -7.038420 4.093646\n7.038420 7.038420 -4.093646\nBr N\n8 24\ndirect\n0.451042 0.452170 0.768610 Br\n0.951042 0.182432 0.998873 Br\n0.932432 0.201042 0.498873 Br\n0.202170 0.701042 0.268610 Br\n0.683559 0.682432 0.231390 Br\n0.183559 0.952170 0.001127 Br\n0.702170 0.433559 0.501127 Br\n0.432432 0.933559 0.731390 Br\n0.644238 0.469869 0.792660 N\n0.144238 0.351578 0.174368 N\n0.101578 0.394238 0.674368 N\n0.219869 0.894238 0.292660 N\n0.677210 0.851578 0.207340 N\n0.177210 0.969869 0.825632 N\n0.719869 0.427210 0.325632 N\n0.601578 0.927210 0.707340 N\n0.668822 0.439267 0.895213 N\n0.168822 0.273609 0.229555 N\n0.023609 0.418822 0.729555 N\n0.189267 0.918822 0.395213 N\n0.544054 0.773609 0.104787 N\n0.044054 0.939267 0.770445 N\n0.689267 0.294054 0.270445 N\n0.523609 0.794054 0.604787 N\n0.706287 0.414186 0.986799 N\n0.206287 0.219488 0.292101 N\n0.969488 0.456287 0.792101 N\n0.164186 0.956287 0.486799 N\n0.427387 0.719488 0.013201 N\n0.927387 0.914186 0.707899 N\n0.664186 0.177387 0.207899 N\n0.469488 0.677387 0.513201 N\n",
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{
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"structure_string": "Ir2 Cl6\n1.0\n5.318914 3.072115 0.000000\n-5.318914 3.072115 0.000000\n0.000000 1.984753 6.205517\nIr Cl\n2 6\ndirect\n0.166678 0.833322 0.000000 Ir\n0.833322 0.166678 0.000000 Ir\n0.432623 0.078631 0.208419 Cl\n0.921369 0.567377 0.791581 Cl\n0.213335 0.213335 0.791309 Cl\n0.786665 0.786665 0.208691 Cl\n0.078631 0.432623 0.208419 Cl\n0.567377 0.921369 0.791581 Cl\n",
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{
"id": "mp-570594",
"created_at": "2022-09-04T14:45:23.475388Z",
"structure_string": "Sm6 Cu2 Sn2 Se14\n1.0\n5.247033 -9.088127 0.000000\n5.247033 9.088127 0.000000\n0.000000 0.000000 6.379320\nSm Cu Sn Se\n6 2 2 14\ndirect\n0.214358 0.356064 0.941474 Sm\n0.141705 0.785642 0.941474 Sm\n0.643936 0.858295 0.941474 Sm\n0.785642 0.643936 0.441474 Sm\n0.356064 0.141705 0.441474 Sm\n0.858295 0.214358 0.441474 Sm\n0.000000 0.000000 0.001270 Cu\n0.000000 0.000000 0.501270 Cu\n0.333333 0.666667 0.367014 Sn\n0.666667 0.333333 0.867014 Sn\n0.739658 0.893349 0.487168 Se\n0.433301 0.918580 0.189698 Se\n0.918580 0.485279 0.689698 Se\n0.514721 0.433301 0.689698 Se\n0.893349 0.153692 0.987168 Se\n0.566699 0.081420 0.689698 Se\n0.106651 0.846308 0.487168 Se\n0.333333 0.666667 0.763997 Se\n0.260342 0.106651 0.987168 Se\n0.485279 0.566699 0.189698 Se\n0.081420 0.514721 0.189698 Se\n0.666667 0.333333 0.263997 Se\n0.153692 0.260342 0.487168 Se\n0.846308 0.739658 0.987168 Se\n",
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{
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],
"chemical_system": "Cl-Nb-Tl-V",
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"density_atomic": 0.03944732041174321,
"volume": 1622.416917853503,
"volume_molar": 15.266286016748676,
"formula_full": "Nb12 Tl4 V4 Cl44",
"formula_reduced": "Nb3TlVCl11",
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"energy_uncorrected": -324.40024969,
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"updated_at": "2021-11-28T01:36:02.274000Z",
"spacegroup": 62
},
{
"id": "mp-1186820",
"created_at": "2022-09-04T14:42:46.632761Z",
"structure_string": "Pu1 Sb3\n1.0\n-2.199055 2.199055 5.242176\n2.199055 -2.199055 5.242176\n2.199055 2.199055 -5.242176\nPu Sb\n1 3\ndirect\n0.000000 0.000000 0.000000 Pu\n0.750000 0.250000 0.500000 Sb\n0.250000 0.750000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n",
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"elements": [
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],
"chemical_system": "Pu-Sb",
"density": 9.977511744560848,
"density_atomic": 0.039447203375172685,
"volume": 101.40135821434488,
"volume_molar": 15.266331310549178,
"formula_full": "Pu1 Sb3",
"formula_reduced": "PuSb3",
"formula_anonymous": "AB3",
"energy": -28.59496201,
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"energy_uncorrected": -28.01896201,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:08.301000Z",
"spacegroup": 139
},
{
"id": "mp-1190220",
"created_at": "2022-09-04T14:46:11.999818Z",
"structure_string": "Hg8 Ge2 S12\n1.0\n-6.304392 -3.696042 0.000000\n6.304392 -3.696042 0.000000\n1.975090 3.696042 11.967566\nHg Ge S\n8 2 12\ndirect\n0.088774 0.232736 0.509737 Hg\n0.777001 0.420963 0.009737 Hg\n0.453749 0.939639 0.503112 Hg\n0.063473 0.049363 0.003112 Hg\n0.764719 0.681489 0.692798 Hg\n0.511310 0.928079 0.192798 Hg\n0.421009 0.820395 0.844869 Hg\n0.524474 0.423860 0.344869 Hg\n0.935184 0.280951 0.758694 Ge\n0.977743 0.823510 0.258694 Ge\n0.568221 0.117117 0.708224 S\n0.091107 0.140003 0.208224 S\n0.065871 0.097797 0.698406 S\n0.100609 0.632534 0.198406 S\n0.443958 0.061442 0.006140 S\n0.444698 0.562182 0.506140 S\n0.056235 0.576520 0.682035 S\n0.605515 0.625800 0.182035 S\n0.089826 0.395682 0.942575 S\n0.046893 0.852749 0.442575 S\n0.720001 0.700779 0.886411 S\n0.685632 0.166410 0.386411 S\n",
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"elements": [
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"Ge",
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],
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"density": 6.356035131424891,
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"formula_full": "Hg8 Ge2 S12",
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"updated_at": "2021-11-28T01:37:20.740000Z",
"spacegroup": 9
},
{
"id": "mp-542403",
"created_at": "2022-09-04T14:44:08.473168Z",
"structure_string": "Ho2 Co2 Sn4\n1.0\n2.075047 -10.922520 0.000000\n2.075047 10.922520 0.000000\n0.000000 0.000000 4.474174\nHo Co Sn\n2 2 4\ndirect\n0.842368 0.157632 0.750000 Ho\n0.157632 0.842368 0.250000 Ho\n0.250249 0.749751 0.750000 Co\n0.749751 0.250249 0.250000 Co\n0.457462 0.542538 0.750000 Sn\n0.542538 0.457462 0.250000 Sn\n0.683637 0.316363 0.750000 Sn\n0.316363 0.683637 0.250000 Sn\n",
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],
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"formula_full": "Ho2 Co2 Sn4",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:36:31.954000Z",
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}
]
}