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{
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"results": [
{
"id": "mp-1147664",
"created_at": "2022-09-04T14:45:08.524963Z",
"structure_string": "K4 Zn6 S8\n1.0\n-2.890686 5.507535 6.706172\n2.890686 -5.507535 6.706172\n2.890686 5.507535 -6.706172\nK Zn S\n4 6 8\ndirect\n0.621606 0.734666 0.356272 K\n0.378394 0.265334 0.643728 K\n0.121606 0.765334 0.886940 K\n0.878394 0.234666 0.113060 K\n0.750000 0.250000 0.500000 Zn\n0.250000 0.750000 0.500000 Zn\n0.973253 0.750000 0.223253 Zn\n0.526747 0.750000 0.776747 Zn\n0.026747 0.250000 0.776747 Zn\n0.473253 0.250000 0.223253 Zn\n0.015311 0.869628 0.589007 S\n0.280620 0.426304 0.410993 S\n0.219380 0.630372 0.145684 S\n0.484689 0.073696 0.854316 S\n0.984689 0.130372 0.410993 S\n0.719380 0.573696 0.589007 S\n0.780620 0.369628 0.854316 S\n0.515311 0.926304 0.145684 S\n",
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"elements": [
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"volume": 427.0639023944957,
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"formula_full": "K4 Zn6 S8",
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"spacegroup": 72
},
{
"id": "mp-1223753",
"created_at": "2022-09-04T14:45:08.534945Z",
"structure_string": "Ir1 N4 Cl6\n1.0\n-3.891338 3.891338 5.476948\n3.891338 -3.891338 5.476948\n3.891338 3.891338 -5.476948\nIr N Cl\n1 4 6\ndirect\n0.003181 0.003181 0.000000 Ir\n0.285074 0.713580 0.428506 N\n0.285074 0.856568 0.571494 N\n0.713580 0.285074 0.428506 N\n0.856568 0.285074 0.571494 N\n0.210683 0.210683 0.000000 Cl\n0.215336 0.215336 0.419374 Cl\n0.215336 0.795962 0.000000 Cl\n0.792444 0.792444 0.000000 Cl\n0.795962 0.795962 0.580626 Cl\n0.795962 0.215336 0.000000 Cl\n",
"nsites": 11,
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"elements": [
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"Cl"
],
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"density": 2.307371452871219,
"density_atomic": 0.03315859849462129,
"volume": 331.7389907714081,
"volume_molar": 18.161626345506914,
"formula_full": "Ir1 N4 Cl6",
"formula_reduced": "Ir(N2Cl3)2",
"formula_anonymous": "AB4C6",
"energy": -58.227850710000006,
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"updated_at": "2021-11-28T01:36:57.333000Z",
"spacegroup": 107
},
{
"id": "mp-680401",
"created_at": "2022-09-04T14:45:08.536912Z",
"structure_string": "U12 Zn102\n1.0\n4.495995 -7.787291 0.000000\n4.495995 7.787291 0.000000\n0.000000 0.000000 26.345724\nU Zn\n12 102\ndirect\n0.333333 0.666667 0.750000 U\n0.333333 0.666667 0.414795 U\n0.666667 0.333333 0.250000 U\n0.333333 0.666667 0.250000 U\n0.000000 0.000000 0.918626 U\n0.000000 0.000000 0.418626 U\n0.000000 0.000000 0.081374 U\n0.666667 0.333333 0.914795 U\n0.666667 0.333333 0.750000 U\n0.666667 0.333333 0.585205 U\n0.333333 0.666667 0.085205 U\n0.000000 0.000000 0.581374 U\n0.829074 0.658148 0.659334 Zn\n0.162313 0.324625 0.492665 Zn\n0.631489 0.964981 0.583487 Zn\n0.666508 0.631489 0.416513 Zn\n0.324625 0.162313 0.992665 Zn\n0.333333 0.666667 0.866904 Zn\n0.170926 0.829074 0.340666 Zn\n0.504750 0.009499 0.674177 Zn\n0.324625 0.162313 0.507335 Zn\n0.495250 0.990501 0.174177 Zn\n0.833377 0.666754 0.333200 Zn\n0.368511 0.333492 0.416513 Zn\n0.000000 0.000000 0.699451 Zn\n0.333492 0.368511 0.916513 Zn\n0.500000 0.500000 0.000000 Zn\n0.658148 0.829074 0.159334 Zn\n0.333492 0.964981 0.583487 Zn\n0.964981 0.631489 0.083487 Zn\n0.829074 0.658148 0.840666 Zn\n0.631489 0.666508 0.916513 Zn\n0.964981 0.333492 0.416513 Zn\n0.666508 0.631489 0.083487 Zn\n0.658148 0.829074 0.340666 Zn\n0.990501 0.495250 0.674177 Zn\n0.162313 0.324625 0.007335 Zn\n0.837687 0.675375 0.992665 Zn\n0.300172 0.004125 0.750000 Zn\n0.995875 0.699828 0.750000 Zn\n0.162313 0.837687 0.492665 Zn\n0.833377 0.666754 0.166800 Zn\n0.333246 0.166623 0.333200 Zn\n0.000000 0.000000 0.800549 Zn\n0.837687 0.162313 0.507335 Zn\n0.495250 0.504750 0.174177 Zn\n0.035019 0.368511 0.583487 Zn\n0.837687 0.162313 0.992665 Zn\n0.504750 0.009499 0.825823 Zn\n0.333333 0.666667 0.967580 Zn\n0.035019 0.368511 0.916513 Zn\n0.333492 0.964981 0.916513 Zn\n0.631489 0.964981 0.916513 Zn\n0.368511 0.035019 0.416513 Zn\n0.166623 0.333246 0.666800 Zn\n0.837687 0.675375 0.507335 Zn\n0.333333 0.666667 0.532420 Zn\n0.666754 0.833377 0.833200 Zn\n0.000000 0.000000 0.300549 Zn\n0.333492 0.368511 0.583487 Zn\n0.296048 0.995875 0.250000 Zn\n0.341852 0.170926 0.659334 Zn\n0.666667 0.333333 0.467580 Zn\n0.666667 0.333333 0.366904 Zn\n0.004125 0.300172 0.250000 Zn\n0.631489 0.666508 0.583487 Zn\n0.666508 0.035019 0.416513 Zn\n0.675375 0.837687 0.007335 Zn\n0.296048 0.300172 0.250000 Zn\n0.500000 0.000000 0.500000 Zn\n0.995875 0.296048 0.750000 Zn\n0.162313 0.837687 0.007335 Zn\n0.829074 0.170926 0.659334 Zn\n0.170926 0.829074 0.159334 Zn\n0.000000 0.500000 0.000000 Zn\n0.166623 0.833377 0.833200 Zn\n0.699828 0.703952 0.250000 Zn\n0.504750 0.495250 0.825823 Zn\n0.964981 0.333492 0.083487 Zn\n0.829074 0.170926 0.840666 Zn\n0.703952 0.699828 0.750000 Zn\n0.166623 0.333246 0.833200 Zn\n0.000000 0.000000 0.199451 Zn\n0.009499 0.504750 0.174177 Zn\n0.675375 0.837687 0.492665 Zn\n0.666508 0.035019 0.083487 Zn\n0.035019 0.666508 0.583487 Zn\n0.000000 0.500000 0.500000 Zn\n0.500000 0.000000 0.000000 Zn\n0.009499 0.504750 0.325823 Zn\n0.990501 0.495250 0.825823 Zn\n0.964981 0.631489 0.416513 Zn\n0.035019 0.666508 0.916513 Zn\n0.495250 0.990501 0.325823 Zn\n0.495250 0.504750 0.325823 Zn\n0.170926 0.341852 0.159334 Zn\n0.368511 0.333492 0.083487 Zn\n0.300172 0.296048 0.750000 Zn\n0.833377 0.166623 0.333200 Zn\n0.333246 0.166623 0.166800 Zn\n0.333333 0.666667 0.633096 Zn\n0.341852 0.170926 0.840666 Zn\n0.004125 0.703952 0.250000 Zn\n0.170926 0.341852 0.340666 Zn\n0.166623 0.833377 0.666800 Zn\n0.703952 0.004125 0.750000 Zn\n0.833377 0.166623 0.166800 Zn\n0.500000 0.500000 0.500000 Zn\n0.666754 0.833377 0.666800 Zn\n0.368511 0.035019 0.083487 Zn\n0.504750 0.495250 0.674177 Zn\n0.699828 0.995875 0.250000 Zn\n0.666667 0.333333 0.133096 Zn\n0.666667 0.333333 0.032420 Zn\n",
"nsites": 114,
"nelements": 2,
"elements": [
"U",
"Zn"
],
"chemical_system": "U-Zn",
"density": 8.576329300287968,
"density_atomic": 0.06179488015689982,
"volume": 1844.8130283698126,
"volume_molar": 9.745371695372707,
"formula_full": "U12 Zn102",
"formula_reduced": "U2Zn17",
"formula_anonymous": "A2B17",
"energy": -271.38076011,
"energy_per_atom": -2.3805329834210527,
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"updated_at": "2021-11-28T01:36:55.088000Z",
"spacegroup": 194
},
{
"id": "mp-568376",
"created_at": "2022-09-04T14:45:08.538743Z",
"structure_string": "Ta10 Ga6\n1.0\n-5.137252 5.137252 2.568276\n5.137252 -5.137252 2.568276\n5.137252 5.137252 -2.568276\nTa Ga\n10 6\ndirect\n0.425095 0.722286 0.147381 Ta\n0.250000 0.750000 0.500000 Ta\n0.925095 0.777714 0.702810 Ta\n0.074905 0.222286 0.297190 Ta\n0.750000 0.250000 0.500000 Ta\n0.277714 0.425095 0.702810 Ta\n0.574905 0.277714 0.852619 Ta\n0.222286 0.925095 0.147381 Ta\n0.722286 0.574905 0.297190 Ta\n0.777714 0.074905 0.852619 Ta\n0.833816 0.333816 0.167632 Ga\n0.250000 0.250000 0.000000 Ga\n0.333816 0.166184 0.500000 Ga\n0.166184 0.666184 0.832368 Ga\n0.750000 0.750000 0.000000 Ga\n0.666184 0.833816 0.500000 Ga\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ta",
"Ga"
],
"chemical_system": "Ga-Ta",
"density": 13.644736323183151,
"density_atomic": 0.05901420461480688,
"volume": 271.1211665807242,
"volume_molar": 10.204561426028308,
"formula_full": "Ta10 Ga6",
"formula_reduced": "Ta5Ga3",
"formula_anonymous": "A3B5",
"energy": -140.83473698,
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"updated_at": "2021-11-28T01:36:49.190000Z",
"spacegroup": 140
},
{
"id": "mp-21382",
"created_at": "2022-09-04T14:45:08.574194Z",
"structure_string": "Dy4 Al2 Ge4\n1.0\n7.018764 0.000000 0.000000\n0.000000 7.018764 0.000000\n0.000000 0.000000 4.314245\nDy Al Ge\n4 2 4\ndirect\n0.323728 0.823728 0.500000 Dy\n0.823728 0.676272 0.500000 Dy\n0.176272 0.323728 0.500000 Dy\n0.676272 0.176272 0.500000 Dy\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.870606 0.370606 0.000000 Ge\n0.370606 0.129394 0.000000 Ge\n0.129394 0.629394 0.000000 Ge\n0.629394 0.870606 0.000000 Ge\n",
"nsites": 10,
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"elements": [
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"Al",
"Ge"
],
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"density": 7.770301641335357,
"density_atomic": 0.04705154794365943,
"volume": 212.53285889710202,
"volume_molar": 12.799027924035666,
"formula_full": "Dy4 Al2 Ge4",
"formula_reduced": "Dy2AlGe2",
"formula_anonymous": "AB2C2",
"energy": -51.65402911,
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"updated_at": "2021-11-28T01:36:51.198000Z",
"spacegroup": 127
},
{
"id": "mp-1221558",
"created_at": "2022-09-04T14:45:08.526414Z",
"structure_string": "Na4 Os2 O14\n1.0\n9.243619 0.000000 0.000000\n0.000000 6.201019 0.000000\n0.000000 0.547039 6.201272\nNa Os O\n4 2 14\ndirect\n0.732032 0.712963 0.819958 Na\n0.232032 0.287037 0.180042 Na\n0.298228 0.752662 0.860347 Na\n0.798228 0.247338 0.139653 Na\n0.473818 0.244372 0.773685 Os\n0.973818 0.755628 0.226315 Os\n0.301724 0.115555 0.853295 O\n0.801724 0.884445 0.146705 O\n0.656582 0.336322 0.823430 O\n0.156582 0.663678 0.176570 O\n0.439121 0.352978 0.509839 O\n0.939121 0.647022 0.490161 O\n0.544077 0.973802 0.760439 O\n0.044077 0.026198 0.239561 O\n0.015369 0.078369 0.714784 O\n0.515369 0.921631 0.285216 O\n0.918139 0.556660 0.041343 O\n0.418139 0.443340 0.958657 O\n0.888910 0.107242 0.653842 O\n0.388910 0.892758 0.346158 O\n",
"nsites": 20,
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"elements": [
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"Os",
"O"
],
"chemical_system": "Na-O-Os",
"density": 3.25333390313242,
"density_atomic": 0.05626575052449485,
"volume": 355.456024554283,
"volume_molar": 10.70303106927954,
"formula_full": "Na4 Os2 O14",
"formula_reduced": "Na2OsO7",
"formula_anonymous": "AB2C7",
"energy": -119.04956466,
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"updated_at": "2021-11-28T01:36:49.086000Z",
"spacegroup": 4
},
{
"id": "mp-1226735",
"created_at": "2022-09-04T14:45:08.527986Z",
"structure_string": "Cs2 Al6 Si6 O24\n1.0\n2.675212 4.631492 0.000000\n-2.675212 4.631492 0.000000\n0.000000 3.507271 21.889268\nCs Al Si O\n2 6 6 24\ndirect\n0.093585 0.894602 0.262495 Cs\n0.894602 0.093585 0.762495 Cs\n0.367457 0.821089 0.497664 Al\n0.195400 0.627632 0.997683 Al\n0.627632 0.195400 0.497683 Al\n0.821089 0.367457 0.997664 Al\n0.711309 0.528916 0.374120 Al\n0.528916 0.711309 0.874120 Al\n0.402159 0.183453 0.371433 Si\n0.818132 0.604322 0.123904 Si\n0.604322 0.818132 0.623904 Si\n0.183453 0.402159 0.871433 Si\n0.471817 0.292425 0.124584 Si\n0.292425 0.471817 0.624584 Si\n0.606527 0.320098 0.341413 O\n0.645858 0.424958 0.154381 O\n0.424958 0.645858 0.654381 O\n0.320098 0.606527 0.841413 O\n0.075807 0.406030 0.353728 O\n0.621359 0.940371 0.144020 O\n0.940371 0.621359 0.644020 O\n0.406030 0.075807 0.853728 O\n0.519356 0.881639 0.340528 O\n0.131987 0.450666 0.155455 O\n0.450666 0.131987 0.655455 O\n0.881639 0.519356 0.840528 O\n0.428706 0.112146 0.447449 O\n0.886875 0.571047 0.050898 O\n0.571047 0.886875 0.550898 O\n0.112146 0.428706 0.947449 O\n0.006754 0.927451 0.472308 O\n0.061007 0.986373 0.033238 O\n0.986373 0.061007 0.533238 O\n0.927451 0.006754 0.972308 O\n0.609765 0.520263 0.452800 O\n0.476827 0.375831 0.051898 O\n0.375831 0.476827 0.551898 O\n0.520263 0.609765 0.952800 O\n",
"nsites": 38,
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"elements": [
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"Al",
"Si",
"O"
],
"chemical_system": "Al-Cs-O-Si",
"density": 3.000702078144666,
"density_atomic": 0.07005566183542619,
"volume": 542.4258226161518,
"volume_molar": 8.596222778034889,
"formula_full": "Cs2 Al6 Si6 O24",
"formula_reduced": "CsAl3(SiO4)3",
"formula_anonymous": "AB3C3D12",
"energy": -287.85926233000004,
"energy_per_atom": -7.575243745526317,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:47.183000Z",
"spacegroup": 9
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{
"id": "mp-1177872",
"created_at": "2022-09-04T14:45:08.569451Z",
"structure_string": "Li4 Ni10 O18\n1.0\n-6.481628 0.000000 0.000000\n3.140791 6.920125 0.000000\n-0.359390 -3.414695 -6.910975\nLi Ni O\n4 10 18\ndirect\n0.543878 0.704455 0.042264 Li\n0.326723 0.832771 0.830309 Li\n0.989652 0.519422 0.481954 Li\n0.451820 0.278472 0.949078 Li\n0.221382 0.891619 0.220579 Ni\n0.450056 0.778665 0.442199 Ni\n0.110068 0.441358 0.109076 Ni\n0.669147 0.661960 0.661611 Ni\n0.335454 0.332654 0.332194 Ni\n0.988813 0.001437 0.001640 Ni\n0.894387 0.554752 0.888353 Ni\n0.549354 0.220790 0.566642 Ni\n0.894662 0.058838 0.395228 Ni\n0.781051 0.112081 0.777682 Ni\n0.551229 0.978605 0.337448 O\n0.146300 0.692371 0.335792 O\n0.889330 0.823803 0.127178 O\n0.760365 0.879586 0.543564 O\n0.412693 0.501913 0.195437 O\n0.681015 0.909979 0.884449 O\n0.363599 0.584291 0.556252 O\n0.210352 0.662359 0.990707 O\n0.807059 0.360260 0.001718 O\n0.973086 0.728453 0.757785 O\n0.637201 0.407366 0.441238 O\n0.301522 0.087972 0.102880 O\n0.582862 0.463767 0.799886 O\n0.231959 0.136645 0.443076 O\n0.081307 0.189818 0.886104 O\n0.029927 0.261301 0.266846 O\n0.873934 0.286468 0.650486 O\n0.478593 0.043378 0.699088 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Li",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O",
"density": 4.835584964368905,
"density_atomic": 0.1032315896711333,
"volume": 309.9826332418494,
"volume_molar": 5.83362203293085,
"formula_full": "Li4 Ni10 O18",
"formula_reduced": "Li2Ni5O9",
"formula_anonymous": "A2B5C9",
"energy": -192.13072722,
"energy_per_atom": -6.004085225625,
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"updated_at": "2021-11-28T01:36:46.693000Z",
"spacegroup": 1
},
{
"id": "mp-1022452",
"created_at": "2022-09-04T14:45:08.595598Z",
"structure_string": "Cs2 Mg12 Cu2\n1.0\n4.828553 0.000000 0.000000\n0.000000 5.971666 0.000000\n0.000000 0.000000 18.080425\nCs Mg Cu\n2 12 2\ndirect\n0.500000 0.500000 0.225923 Cs\n0.500000 0.000000 0.725923 Cs\n0.000000 0.745359 0.030617 Mg\n0.000000 0.254641 0.030617 Mg\n0.000000 0.000000 0.369670 Mg\n0.500000 0.256716 0.425460 Mg\n0.500000 0.743284 0.425460 Mg\n0.500000 0.000000 0.086576 Mg\n0.000000 0.245359 0.530617 Mg\n0.000000 0.754641 0.530617 Mg\n0.000000 0.500000 0.869670 Mg\n0.500000 0.756716 0.925460 Mg\n0.500000 0.243284 0.925460 Mg\n0.500000 0.500000 0.586576 Mg\n0.000000 0.500000 0.405675 Cu\n0.000000 0.000000 0.905675 Cu\n",
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],
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"formula_full": "Cs2 Mg12 Cu2",
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{
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"structure_string": "Li4 V6 Sn2 O16\n1.0\n5.222806 2.981694 0.000000\n-5.222806 2.981694 0.000000\n0.000000 0.021823 9.831487\nLi V Sn O\n4 6 2 16\ndirect\n0.337717 0.670457 0.895297 Li\n0.993782 0.997952 0.992817 Li\n0.997952 0.993782 0.492817 Li\n0.670457 0.337717 0.395297 Li\n0.652626 0.827738 0.219225 V\n0.166411 0.829525 0.211296 V\n0.829525 0.166411 0.711296 V\n0.342950 0.170787 0.713934 V\n0.170787 0.342950 0.213934 V\n0.827738 0.652626 0.719225 V\n0.329479 0.665510 0.492432 Sn\n0.665510 0.329479 0.992432 Sn\n0.674783 0.837682 0.602952 O\n0.492440 0.527303 0.342841 O\n0.357094 0.674165 0.104444 O\n0.981347 0.996738 0.306494 O\n0.996738 0.981347 0.806494 O\n0.158168 0.318991 0.600699 O\n0.487755 0.967985 0.337811 O\n0.035726 0.514380 0.337204 O\n0.834359 0.156467 0.096474 O\n0.156467 0.834359 0.596474 O\n0.967985 0.487755 0.837811 O\n0.514380 0.035726 0.837204 O\n0.674165 0.357094 0.604444 O\n0.837682 0.674783 0.102952 O\n0.527303 0.492440 0.842841 O\n0.318991 0.158168 0.100699 O\n",
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"formula_full": "Li4 V6 Sn2 O16",
"formula_reduced": "Li2V3SnO8",
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},
{
"id": "mp-1221073",
"created_at": "2022-09-04T14:45:08.614332Z",
"structure_string": "Na1 Ce1 S2\n1.0\n6.788160 -2.070835 0.000000\n6.788160 2.070835 0.000000\n6.156420 0.000000 3.530719\nNa Ce S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ce\n0.255781 0.255781 0.255781 S\n0.744219 0.744219 0.744219 S\n",
"nsites": 4,
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"elements": [
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"density": 3.8013256420381736,
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"formula_full": "Na1 Ce1 S2",
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"updated_at": "2021-11-28T01:36:49.192000Z",
"spacegroup": 166
},
{
"id": "mp-19472",
"created_at": "2022-09-04T14:45:08.630622Z",
"structure_string": "Rb8 Mn4 V8 O28\n1.0\n8.758170 0.000000 0.000000\n0.000000 8.758170 0.000000\n0.000000 0.000000 12.059098\nRb Mn V O\n8 4 8 28\ndirect\n0.150619 0.849381 0.500000 Rb\n0.650619 0.650619 0.000000 Rb\n0.349381 0.349381 0.000000 Rb\n0.849381 0.150619 0.500000 Rb\n0.679627 0.679627 0.500000 Rb\n0.820373 0.179627 0.000000 Rb\n0.179627 0.820373 0.000000 Rb\n0.320373 0.320373 0.500000 Rb\n0.000000 0.500000 0.750000 Mn\n0.000000 0.500000 0.250000 Mn\n0.500000 0.000000 0.750000 Mn\n0.500000 0.000000 0.250000 Mn\n0.639149 0.360851 0.716072 V\n0.360851 0.639149 0.716072 V\n0.360851 0.639149 0.283928 V\n0.860851 0.860851 0.216072 V\n0.139149 0.139149 0.216072 V\n0.860851 0.860851 0.783928 V\n0.139149 0.139149 0.783928 V\n0.639149 0.360851 0.283928 V\n0.640222 0.359778 0.855536 O\n0.359778 0.640222 0.855536 O\n0.359778 0.640222 0.144464 O\n0.859778 0.859778 0.355536 O\n0.140222 0.140222 0.355536 O\n0.859778 0.859778 0.644464 O\n0.140222 0.140222 0.644464 O\n0.640222 0.359778 0.144464 O\n0.500000 0.500000 0.663626 O\n0.000000 0.000000 0.163626 O\n0.000000 0.000000 0.836374 O\n0.500000 0.500000 0.336374 O\n0.183498 0.586693 0.337477 O\n0.816502 0.413307 0.337477 O\n0.586693 0.183498 0.662523 O\n0.086693 0.316502 0.837477 O\n0.913307 0.683498 0.837477 O\n0.316502 0.086693 0.162523 O\n0.683498 0.913307 0.162523 O\n0.413307 0.816502 0.662523 O\n0.586693 0.183498 0.337477 O\n0.316502 0.086693 0.837477 O\n0.683498 0.913307 0.837477 O\n0.086693 0.316502 0.162523 O\n0.913307 0.683498 0.162523 O\n0.413307 0.816502 0.337477 O\n0.183498 0.586693 0.662523 O\n0.816502 0.413307 0.662523 O\n",
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],
"chemical_system": "Mn-O-Rb-V",
"density": 3.1577357609986545,
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"formula_full": "Rb8 Mn4 V8 O28",
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}
]
}