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{
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"results": [
{
"id": "mp-1214008",
"created_at": "2022-09-04T14:41:45.242045Z",
"structure_string": "Ca4 Nd1 B3 O10\n1.0\n8.090728 4.093184 0.000000\n-8.090728 4.093184 0.000000\n0.000000 0.723453 3.557996\nCa Nd B O\n4 1 3 10\ndirect\n0.448823 0.675478 0.722816 Ca\n0.675478 0.448823 0.722816 Ca\n0.757246 0.120636 0.050776 Ca\n0.120636 0.757246 0.050776 Ca\n0.204426 0.204426 0.392642 Nd\n0.825549 0.825549 0.096529 B\n0.447425 0.057341 0.476471 B\n0.057341 0.447425 0.476471 B\n0.258284 0.968616 0.475475 O\n0.968616 0.258284 0.475475 O\n0.381116 0.381116 0.811532 O\n0.665699 0.815157 0.143996 O\n0.815157 0.665699 0.143996 O\n0.998550 0.998550 0.000729 O\n0.504921 0.966553 0.669685 O\n0.966553 0.504921 0.669685 O\n0.580023 0.237657 0.280513 O\n0.237657 0.580023 0.280513 O\n",
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"formula_full": "Ca4 Nd1 B3 O10",
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"spacegroup": 8
},
{
"id": "mp-1028598",
"created_at": "2022-09-04T14:41:45.611736Z",
"structure_string": "Te6 W4 Se2\n1.0\n1.748674 -3.028792 0.000000\n1.748674 3.028792 0.000000\n0.000000 0.000000 39.674341\nTe W Se\n6 4 2\ndirect\n0.333333 0.666667 0.703960 Te\n0.666667 0.333333 0.047504 Te\n0.666667 0.333333 0.423237 Te\n0.666667 0.333333 0.140351 Te\n0.666667 0.333333 0.516080 Te\n0.333333 0.666667 0.611107 Te\n0.333333 0.666667 0.093918 W\n0.333333 0.666667 0.469643 W\n0.666667 0.333333 0.281799 W\n0.666667 0.333333 0.657551 W\n0.333333 0.666667 0.322713 Se\n0.333333 0.666667 0.240886 Se\n",
"nsites": 12,
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"elements": [
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"W",
"Se"
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"chemical_system": "Se-Te-W",
"density": 6.554597815360714,
"density_atomic": 0.02855375483429661,
"volume": 420.25996474503967,
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"formula_full": "Te6 W4 Se2",
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"formula_anonymous": "AB2C3",
"energy": -83.28426982,
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"updated_at": "2021-11-28T01:35:22.888000Z",
"spacegroup": 156
},
{
"id": "mp-1239240",
"created_at": "2022-09-04T14:41:45.185715Z",
"structure_string": "H24 Pb4 C4 Br12 N4\n1.0\n0.000000 0.000000 8.421670\n8.547002 0.000000 0.000000\n0.000000 12.183993 0.000000\nH Pb C Br N\n24 4 4 12 4\ndirect\n0.891154 0.081551 0.181919 H\n0.108846 0.918449 0.818081 H\n0.391154 0.418449 0.818081 H\n0.608846 0.581551 0.181919 H\n0.608846 0.581551 0.318081 H\n0.391154 0.418449 0.681919 H\n0.108846 0.918449 0.681919 H\n0.891154 0.081551 0.318081 H\n0.882720 0.092255 0.675857 H\n0.117280 0.907745 0.324143 H\n0.382720 0.407745 0.324143 H\n0.617280 0.592255 0.675857 H\n0.617280 0.592255 0.824143 H\n0.382720 0.407745 0.175857 H\n0.117280 0.907745 0.175857 H\n0.882720 0.092255 0.824143 H\n0.041603 0.162237 0.250000 H\n0.958397 0.837763 0.750000 H\n0.541603 0.337763 0.750000 H\n0.458397 0.662237 0.250000 H\n0.046205 0.176203 0.750000 H\n0.953795 0.823797 0.250000 H\n0.546205 0.323797 0.250000 H\n0.453795 0.676203 0.750000 H\n0.500000 0.000000 0.000000 Pb\n0.000000 0.500000 0.000000 Pb\n0.000000 0.500000 0.500000 Pb\n0.500000 0.000000 0.500000 Pb\n0.955571 0.084587 0.750000 C\n0.044429 0.915413 0.250000 C\n0.455571 0.415413 0.250000 C\n0.544429 0.584587 0.750000 C\n0.199024 0.200471 0.017571 Br\n0.800976 0.799529 0.982429 Br\n0.699024 0.299529 0.982429 Br\n0.300976 0.700471 0.017571 Br\n0.300976 0.700471 0.482429 Br\n0.699024 0.299529 0.517571 Br\n0.800976 0.799529 0.517571 Br\n0.199024 0.200471 0.482429 Br\n0.438707 0.024261 0.750000 Br\n0.561293 0.975739 0.250000 Br\n0.938707 0.475739 0.250000 Br\n0.061293 0.524261 0.750000 Br\n0.963051 0.069951 0.250000 N\n0.036949 0.930049 0.750000 N\n0.463051 0.430049 0.750000 N\n0.536949 0.569951 0.250000 N\n",
"nsites": 48,
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"elements": [
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"N"
],
"chemical_system": "Br-C-H-N-Pb",
"density": 3.6276227633753804,
"density_atomic": 0.05473177982671464,
"volume": 877.0041857212022,
"volume_molar": 11.00300552817138,
"formula_full": "H24 Pb4 C4 Br12 N4",
"formula_reduced": "H6PbCBr3N",
"formula_anonymous": "ABCD3E6",
"energy": -218.55486086,
"energy_per_atom": -4.553226267916666,
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"updated_at": "2021-11-28T01:35:43.960000Z",
"spacegroup": 62
},
{
"id": "mp-1044042",
"created_at": "2022-09-04T14:41:45.728102Z",
"structure_string": "Ca4 Sn12 O28\n1.0\n5.369973 0.000000 0.000000\n0.000000 10.348789 0.000000\n0.000000 0.000000 10.807664\nCa Sn O\n4 12 28\ndirect\n0.332499 0.118877 0.250000 Ca\n0.832499 0.381123 0.750000 Ca\n0.667501 0.881123 0.750000 Ca\n0.167501 0.618877 0.250000 Ca\n0.618161 0.643765 0.009548 Sn\n0.118161 0.856235 0.990452 Sn\n0.381839 0.356235 0.509548 Sn\n0.881839 0.143765 0.490452 Sn\n0.670325 0.840377 0.250000 Sn\n0.170325 0.659623 0.750000 Sn\n0.329675 0.159623 0.750000 Sn\n0.829675 0.340377 0.250000 Sn\n0.118161 0.856235 0.509548 Sn\n0.618161 0.643765 0.490452 Sn\n0.881839 0.143765 0.009548 Sn\n0.381839 0.356235 0.990452 Sn\n0.104423 0.251725 0.882799 O\n0.604423 0.248275 0.117201 O\n0.895577 0.748275 0.382799 O\n0.395577 0.751725 0.617201 O\n0.895577 0.748275 0.117201 O\n0.395577 0.751725 0.882799 O\n0.104423 0.251725 0.617201 O\n0.604423 0.248275 0.382799 O\n0.590006 0.225813 0.877112 O\n0.090006 0.274187 0.122888 O\n0.409994 0.774187 0.377112 O\n0.909994 0.725813 0.622888 O\n0.409994 0.774187 0.122888 O\n0.909994 0.725813 0.877112 O\n0.590006 0.225813 0.622888 O\n0.090006 0.274187 0.377112 O\n0.772287 0.524832 0.250000 O\n0.272287 0.975168 0.750000 O\n0.227713 0.475168 0.750000 O\n0.727713 0.024832 0.250000 O\n0.804335 0.972783 0.567321 O\n0.304335 0.527217 0.432679 O\n0.195665 0.027217 0.067321 O\n0.695665 0.472783 0.932679 O\n0.195665 0.027217 0.432679 O\n0.695665 0.472783 0.567321 O\n0.804335 0.972783 0.932679 O\n0.304335 0.527217 0.067321 O\n",
"nsites": 44,
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"elements": [
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"Sn",
"O"
],
"chemical_system": "Ca-O-Sn",
"density": 5.620222743613804,
"density_atomic": 0.07325870000169481,
"volume": 600.6112584441449,
"volume_molar": 8.220376228162225,
"formula_full": "Ca4 Sn12 O28",
"formula_reduced": "CaSn3O7",
"formula_anonymous": "AB3C7",
"energy": -291.15595712,
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"updated_at": "2021-11-28T01:35:20.432000Z",
"spacegroup": 62
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{
"id": "mp-558238",
"created_at": "2022-09-04T14:41:45.720183Z",
"structure_string": "K8 Er16 F56\n1.0\n7.810372 0.000000 0.000000\n0.000000 11.865787 0.000000\n0.000000 0.000000 13.336578\nK Er F\n8 16 56\ndirect\n0.250000 0.915005 0.905115 K\n0.750000 0.434264 0.067730 K\n0.750000 0.584995 0.405115 K\n0.250000 0.415005 0.594885 K\n0.250000 0.565736 0.932270 K\n0.250000 0.065736 0.567730 K\n0.750000 0.934264 0.432270 K\n0.750000 0.084995 0.094885 K\n0.476413 0.743787 0.662581 Er\n0.250000 0.506723 0.241414 Er\n0.750000 0.493277 0.758586 Er\n0.976413 0.256213 0.337419 Er\n0.250000 0.209957 0.062937 Er\n0.750000 0.993277 0.741414 Er\n0.523587 0.256213 0.337419 Er\n0.523587 0.756213 0.162581 Er\n0.750000 0.290043 0.562937 Er\n0.750000 0.790043 0.937063 Er\n0.250000 0.709957 0.437063 Er\n0.476413 0.243787 0.837419 Er\n0.250000 0.006723 0.258586 Er\n0.023587 0.243787 0.837419 Er\n0.976413 0.756213 0.162581 Er\n0.023587 0.743787 0.662581 Er\n0.985326 0.218604 0.002331 F\n0.995701 0.925877 0.231827 F\n0.750000 0.866390 0.095271 F\n0.750000 0.192026 0.838851 F\n0.918982 0.330282 0.698671 F\n0.750000 0.242117 0.235282 F\n0.420650 0.587851 0.123184 F\n0.579350 0.412149 0.876816 F\n0.750000 0.742117 0.264718 F\n0.495701 0.574123 0.731827 F\n0.079350 0.087851 0.376816 F\n0.750000 0.973581 0.910840 F\n0.514674 0.218604 0.002331 F\n0.420650 0.087851 0.376816 F\n0.918982 0.830282 0.801329 F\n0.014674 0.281396 0.502331 F\n0.250000 0.026419 0.089160 F\n0.750000 0.123847 0.625435 F\n0.250000 0.807974 0.161149 F\n0.514674 0.718604 0.497669 F\n0.250000 0.336797 0.919981 F\n0.250000 0.633610 0.595271 F\n0.581018 0.830282 0.801329 F\n0.985326 0.718604 0.497669 F\n0.418982 0.669718 0.301329 F\n0.504299 0.925877 0.231827 F\n0.014674 0.781396 0.997669 F\n0.485326 0.281396 0.502331 F\n0.750000 0.663203 0.080019 F\n0.750000 0.366390 0.404729 F\n0.485326 0.781396 0.997669 F\n0.250000 0.526419 0.410840 F\n0.920650 0.912149 0.623184 F\n0.081018 0.669718 0.301329 F\n0.750000 0.163203 0.419981 F\n0.250000 0.836797 0.580019 F\n0.250000 0.757883 0.764718 F\n0.250000 0.307974 0.338851 F\n0.750000 0.692026 0.661149 F\n0.250000 0.133610 0.904729 F\n0.995701 0.425877 0.268173 F\n0.081018 0.169718 0.198671 F\n0.418982 0.169718 0.198671 F\n0.004299 0.574123 0.731827 F\n0.250000 0.876153 0.374565 F\n0.079350 0.587851 0.123184 F\n0.250000 0.376153 0.125435 F\n0.920650 0.412149 0.876816 F\n0.504299 0.425877 0.268173 F\n0.250000 0.257883 0.735282 F\n0.004299 0.074123 0.768173 F\n0.495701 0.074123 0.768173 F\n0.581018 0.330282 0.698671 F\n0.750000 0.623847 0.874565 F\n0.579350 0.912149 0.623184 F\n0.750000 0.473581 0.589160 F\n",
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"formula_full": "K8 Er16 F56",
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},
{
"id": "mp-1189831",
"created_at": "2022-09-04T14:41:45.743116Z",
"structure_string": "Gd6 Fe2 O12\n1.0\n4.525601 -5.682694 0.000000\n4.525601 5.682694 0.000000\n0.000000 0.000000 5.552822\nGd Fe O\n6 2 12\ndirect\n0.587904 0.799348 0.041312 Gd\n0.200652 0.412096 0.041312 Gd\n0.412096 0.200652 0.541312 Gd\n0.799348 0.587904 0.541312 Gd\n0.102621 0.897379 0.997376 Gd\n0.897379 0.102621 0.497376 Gd\n0.307511 0.692489 0.571652 Fe\n0.692489 0.307511 0.071652 Fe\n0.174974 0.145267 0.270632 O\n0.854733 0.825026 0.270632 O\n0.825026 0.854733 0.770632 O\n0.145267 0.174974 0.770632 O\n0.606226 0.079486 0.250160 O\n0.920514 0.393774 0.250160 O\n0.393774 0.920514 0.750160 O\n0.079486 0.606226 0.750160 O\n0.539882 0.460118 0.218759 O\n0.460118 0.539882 0.718759 O\n0.284666 0.715334 0.231957 O\n0.715334 0.284666 0.731957 O\n",
"nsites": 20,
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"elements": [
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"formula_full": "Gd6 Fe2 O12",
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},
{
"id": "mp-1210155",
"created_at": "2022-09-04T14:41:45.775429Z",
"structure_string": "Na4 Al4 Br16\n1.0\n7.662034 0.000000 0.000000\n0.000000 7.696717 0.000000\n0.000000 0.000000 14.330153\nNa Al Br\n4 4 16\ndirect\n0.551466 0.750000 0.849147 Na\n0.448534 0.250000 0.150853 Na\n0.051466 0.250000 0.650853 Na\n0.948534 0.750000 0.349147 Na\n0.796980 0.750000 0.601388 Al\n0.203020 0.250000 0.398612 Al\n0.296980 0.250000 0.898612 Al\n0.703020 0.750000 0.101388 Al\n0.088516 0.750000 0.557068 Br\n0.911484 0.250000 0.442932 Br\n0.588516 0.250000 0.942932 Br\n0.411484 0.750000 0.057068 Br\n0.736225 0.507261 0.695449 Br\n0.263775 0.492739 0.304551 Br\n0.236225 0.492739 0.804551 Br\n0.263775 0.007261 0.304551 Br\n0.763775 0.507261 0.195449 Br\n0.736225 0.992739 0.695449 Br\n0.763775 0.992739 0.195449 Br\n0.236225 0.007261 0.804551 Br\n0.873262 0.750000 0.968849 Br\n0.126738 0.250000 0.031151 Br\n0.373262 0.250000 0.531151 Br\n0.626738 0.750000 0.468849 Br\n",
"nsites": 24,
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"elements": [
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{
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