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{
"count": 146323,
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"results": [
{
"id": "mp-758917",
"created_at": "2022-09-04T14:42:54.657898Z",
"structure_string": "Li16 Mn12 Fe6 O36\n1.0\n-7.715456 -4.566421 -0.101561\n0.016116 -8.965501 0.101561\n0.199995 -0.113793 10.162636\nLi Mn Fe O\n16 12 6 36\ndirect\n0.841647 0.740825 0.245420 Li\n0.805562 0.087344 0.230806 Li\n0.775267 0.432911 0.219996 Li\n0.752025 0.038910 0.721010 Li\n0.733756 0.391400 0.719996 Li\n0.552519 0.906275 0.773384 Li\n0.461724 0.768965 0.228300 Li\n0.425842 0.325020 0.745420 Li\n0.462056 0.103556 0.229059 Li\n0.397701 0.704943 0.728300 Li\n0.260392 0.614148 0.273384 Li\n0.152762 0.070309 0.236491 Li\n0.127756 0.414641 0.221010 Li\n0.096357 0.013905 0.736491 Li\n0.079323 0.361105 0.730806 Li\n0.063110 0.704610 0.729059 Li\n0.999034 0.333016 0.001273 Mn\n0.833364 0.506488 0.500110 Mn\n0.833651 0.167632 0.501273 Mn\n0.660179 0.333302 0.000110 Mn\n0.670740 0.000445 0.001634 Mn\n0.498457 0.163955 0.497968 Mn\n0.500362 0.834306 0.496437 Mn\n0.338434 0.005539 0.995147 Mn\n0.332360 0.666305 0.996437 Mn\n0.161128 0.828233 0.495147 Mn\n0.166221 0.495926 0.501634 Mn\n0.002711 0.668210 0.997968 Mn\n0.834018 0.834744 0.504065 Fe\n0.671799 0.662407 0.989176 Fe\n0.504260 0.494868 0.489176 Fe\n0.331922 0.332649 0.004065 Fe\n0.168464 0.160653 0.499034 Fe\n0.006014 0.998203 0.999034 Fe\n0.962895 0.589177 0.606582 O\n0.937466 0.287164 0.608946 O\n0.970406 0.923254 0.616924 O\n0.885462 0.538562 0.113916 O\n0.879503 0.229200 0.108946 O\n0.880835 0.882292 0.108103 O\n0.753549 0.444076 0.895219 O\n0.762233 0.119433 0.900795 O\n0.775987 0.793395 0.896226 O\n0.722590 0.413118 0.395219 O\n0.714772 0.071929 0.400178 O\n0.719460 0.722377 0.398487 O\n0.628105 0.281204 0.613916 O\n0.615748 0.610846 0.600501 O\n0.613892 0.960665 0.611005 O\n0.577489 0.203771 0.106582 O\n0.555821 0.550919 0.100501 O\n0.561518 0.890192 0.102156 O\n0.453386 0.108388 0.897084 O\n0.444290 0.447207 0.898487 O\n0.448170 0.803035 0.885197 O\n0.388029 0.036312 0.383649 O\n0.373271 0.390680 0.396226 O\n0.363632 0.718497 0.385197 O\n0.284375 0.285832 0.608103 O\n0.280250 0.918010 0.599752 O\n0.276475 0.605149 0.602156 O\n0.243412 0.196260 0.116924 O\n0.248656 0.886416 0.099752 O\n0.206001 0.552775 0.111005 O\n0.121739 0.125583 0.895700 O\n0.130354 0.778638 0.883649 O\n0.094737 0.451894 0.900178 O\n0.041084 0.044928 0.395700 O\n0.058278 0.713281 0.397084 O\n0.047233 0.404434 0.400795 O\n",
"nsites": 70,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 3.96944982721516,
"density_atomic": 0.09952181906435748,
"volume": 703.3633494453444,
"volume_molar": 6.051075851121331,
"formula_full": "Li16 Mn12 Fe6 O36",
"formula_reduced": "Li8Mn6(FeO6)3",
"formula_anonymous": "A3B6C8D18",
"energy": -506.70023708,
"energy_per_atom": -7.238574815428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -448.41623708,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 76.0004407,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.563000Z",
"spacegroup": 9
},
{
"id": "mp-1080217",
"created_at": "2022-09-04T14:46:19.137013Z",
"structure_string": "Ca2 Mn24 O48\n1.0\n5.891701 0.000000 0.000000\n0.000000 9.749825 0.000000\n0.000000 9.574530 13.919649\nCa Mn O\n2 24 48\ndirect\n0.622361 0.272950 0.738622 Ca\n0.377639 0.272950 0.238622 Ca\n0.372582 0.013226 0.491454 Mn\n0.374474 0.486531 0.511028 Mn\n0.876388 0.019132 0.487619 Mn\n0.874884 0.484105 0.512085 Mn\n0.371442 0.882237 0.850147 Mn\n0.371700 0.435530 0.843348 Mn\n0.878961 0.881644 0.849850 Mn\n0.877001 0.435298 0.843630 Mn\n0.374191 0.626157 0.153866 Mn\n0.374603 0.058805 0.158103 Mn\n0.875817 0.611678 0.152614 Mn\n0.874156 0.069925 0.160002 Mn\n0.627418 0.013226 0.991454 Mn\n0.625526 0.486531 0.011028 Mn\n0.123612 0.019132 0.987619 Mn\n0.125116 0.484105 0.012085 Mn\n0.628300 0.435530 0.343348 Mn\n0.628558 0.882237 0.350147 Mn\n0.122999 0.435298 0.343630 Mn\n0.121039 0.881644 0.349850 Mn\n0.625397 0.058805 0.658103 Mn\n0.625809 0.626157 0.653866 Mn\n0.125844 0.069925 0.660002 Mn\n0.124183 0.611678 0.652614 Mn\n0.375482 0.514153 0.077575 O\n0.375371 0.046139 0.051591 O\n0.874404 0.517166 0.074904 O\n0.874050 0.050697 0.051796 O\n0.378767 0.986755 0.924327 O\n0.375416 0.453531 0.949893 O\n0.871261 0.987589 0.924080 O\n0.873996 0.449200 0.951681 O\n0.125950 0.050697 0.551796 O\n0.125596 0.517166 0.574904 O\n0.624629 0.046139 0.551591 O\n0.624518 0.514153 0.577575 O\n0.624584 0.453531 0.449893 O\n0.621233 0.986755 0.424327 O\n0.126004 0.449200 0.451681 O\n0.128739 0.987589 0.424080 O\n0.121308 0.766332 0.092676 O\n0.132642 0.224203 0.117918 O\n0.628367 0.768227 0.092581 O\n0.616207 0.225565 0.117704 O\n0.125333 0.732561 0.910350 O\n0.124713 0.280471 0.889883 O\n0.625200 0.729789 0.910735 O\n0.624479 0.275082 0.884811 O\n0.383793 0.225565 0.617704 O\n0.371633 0.768227 0.592581 O\n0.867358 0.224203 0.617918 O\n0.878692 0.766332 0.592676 O\n0.375521 0.275082 0.384811 O\n0.374800 0.729789 0.410735 O\n0.875287 0.280471 0.389883 O\n0.874667 0.732561 0.410350 O\n0.127026 0.459763 0.221616 O\n0.117244 0.904589 0.223247 O\n0.623861 0.460078 0.221775 O\n0.631790 0.904777 0.223389 O\n0.124769 0.043006 0.781846 O\n0.123584 0.594890 0.778115 O\n0.625453 0.023924 0.782364 O\n0.624842 0.597692 0.778412 O\n0.368210 0.904777 0.723389 O\n0.376139 0.460078 0.721775 O\n0.882756 0.904589 0.723247 O\n0.872974 0.459763 0.721616 O\n0.375158 0.597692 0.278412 O\n0.374547 0.023924 0.282364 O\n0.876416 0.594890 0.278115 O\n0.875231 0.043006 0.281846 O\n",
"nsites": 74,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O",
"density": 4.499560617747123,
"density_atomic": 0.09254776100450095,
"volume": 799.5871450245145,
"volume_molar": 6.507062617870487,
"formula_full": "Ca2 Mn24 O48",
"formula_reduced": "CaMn12O24",
"formula_anonymous": "AB12C24",
"energy": -601.12594418,
"energy_per_atom": -8.12332357,
"energy_above_hull": null,
"is_stable": null,
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"band_gap": 0.0826000000000002,
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"is_magnetic": true,
"total_magnetization": 76.0007193,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:23.467000Z",
"spacegroup": 7
},
{
"id": "mp-760003",
"created_at": "2022-09-04T14:41:22.643918Z",
"structure_string": "Ti6 Fe18 O32\n1.0\n6.128743 0.000000 0.000000\n0.000000 8.644995 0.000000\n0.000000 0.000000 12.190736\nTi Fe O\n6 18 32\ndirect\n0.500000 0.500560 0.252063 Ti\n0.500000 0.500000 0.000000 Ti\n0.500000 0.499440 0.747937 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.999440 0.752063 Ti\n0.000000 0.000560 0.247937 Ti\n0.750657 0.248610 0.876042 Fe\n0.749343 0.251390 0.376042 Fe\n0.249343 0.248610 0.876042 Fe\n0.250657 0.251390 0.376042 Fe\n0.000000 0.365911 0.124168 Fe\n0.000000 0.368202 0.627646 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.634089 0.875832 Fe\n0.000000 0.631798 0.372354 Fe\n0.250657 0.748610 0.623958 Fe\n0.750657 0.751390 0.123958 Fe\n0.249343 0.751390 0.123958 Fe\n0.749343 0.748610 0.623958 Fe\n0.500000 0.868202 0.872354 Fe\n0.500000 0.865911 0.375832 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.134089 0.624168 Fe\n0.500000 0.131798 0.127646 Fe\n0.500000 0.265662 0.002138 O\n0.500000 0.270779 0.762467 O\n0.500000 0.264084 0.486270 O\n0.500000 0.272751 0.248245 O\n0.283959 0.501149 0.878040 O\n0.716041 0.501149 0.878040 O\n0.739285 0.506648 0.359553 O\n0.260715 0.506648 0.359553 O\n0.739285 0.493352 0.640447 O\n0.716041 0.498851 0.121960 O\n0.283959 0.498851 0.121960 O\n0.260715 0.493352 0.640447 O\n0.500000 0.734338 0.997862 O\n0.500000 0.729221 0.237533 O\n0.500000 0.735916 0.513730 O\n0.500000 0.727249 0.751755 O\n0.000000 0.770779 0.737533 O\n0.000000 0.772751 0.251755 O\n0.000000 0.764084 0.013730 O\n0.000000 0.765662 0.497862 O\n0.783959 0.001149 0.621960 O\n0.216041 0.001149 0.621960 O\n0.760715 0.006648 0.140447 O\n0.239285 0.006648 0.140447 O\n0.216041 0.998851 0.378040 O\n0.783959 0.998851 0.378040 O\n0.239285 0.993352 0.859553 O\n0.760715 0.993352 0.859553 O\n0.000000 0.235916 0.986270 O\n0.000000 0.227249 0.748245 O\n0.000000 0.229221 0.262467 O\n0.000000 0.234338 0.502138 O\n",
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"elements": [
"Ti",
"Fe",
"O"
],
"chemical_system": "Fe-O-Ti",
"density": 4.6388902725189105,
"density_atomic": 0.08670056826061562,
"volume": 645.9011875408713,
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"formula_full": "Ti6 Fe18 O32",
"formula_reduced": "Ti3Fe9O16",
"formula_anonymous": "A3B9C16",
"energy": -479.17273817000006,
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"updated_at": "2021-11-28T01:35:18.367000Z",
"spacegroup": 58
},
{
"id": "mp-14046",
"created_at": "2022-09-04T14:45:22.923792Z",
"structure_string": "Mn12 V8 Si12 O48\n1.0\n-5.996462 5.996462 5.996462\n5.996462 -5.996462 5.996462\n5.996462 5.996462 -5.996462\nMn V Si O\n12 8 12 48\ndirect\n0.875000 0.625000 0.250000 Mn\n0.625000 0.250000 0.875000 Mn\n0.875000 0.750000 0.625000 Mn\n0.750000 0.625000 0.875000 Mn\n0.250000 0.875000 0.625000 Mn\n0.625000 0.875000 0.750000 Mn\n0.125000 0.375000 0.750000 Mn\n0.375000 0.750000 0.125000 Mn\n0.125000 0.250000 0.375000 Mn\n0.250000 0.375000 0.125000 Mn\n0.750000 0.125000 0.375000 Mn\n0.375000 0.125000 0.250000 Mn\n0.500000 0.500000 0.500000 V\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.000000 V\n0.000000 0.000000 0.000000 V\n0.125000 0.875000 0.250000 Si\n0.875000 0.125000 0.750000 Si\n0.250000 0.625000 0.375000 Si\n0.375000 0.250000 0.625000 Si\n0.750000 0.875000 0.125000 Si\n0.125000 0.750000 0.875000 Si\n0.375000 0.625000 0.750000 Si\n0.625000 0.750000 0.375000 Si\n0.875000 0.250000 0.125000 Si\n0.250000 0.125000 0.875000 Si\n0.750000 0.375000 0.625000 Si\n0.625000 0.375000 0.250000 Si\n0.693731 0.088063 0.709089 O\n0.105668 0.984642 0.693731 O\n0.709089 0.515358 0.621026 O\n0.621026 0.709089 0.515358 O\n0.878974 0.394332 0.088063 O\n0.088063 0.878974 0.394332 O\n0.984642 0.693731 0.105668 O\n0.411937 0.105668 0.621026 O\n0.394332 0.806269 0.515358 O\n0.984642 0.790911 0.878974 O\n0.105668 0.621026 0.411937 O\n0.515358 0.394332 0.806269 O\n0.790911 0.878974 0.984642 O\n0.709089 0.693731 0.088063 O\n0.088063 0.709089 0.693731 O\n0.621026 0.411937 0.105668 O\n0.790911 0.411937 0.806269 O\n0.806269 0.515358 0.394332 O\n0.806269 0.790911 0.411937 O\n0.878974 0.984642 0.790911 O\n0.484642 0.378974 0.290911 O\n0.394332 0.088063 0.878974 O\n0.693731 0.105668 0.984642 O\n0.515358 0.621026 0.709089 O\n0.306269 0.911937 0.290911 O\n0.894332 0.015358 0.306269 O\n0.290911 0.484642 0.378974 O\n0.378974 0.290911 0.484642 O\n0.121026 0.605668 0.911937 O\n0.911937 0.121026 0.605668 O\n0.015358 0.306269 0.894332 O\n0.588063 0.894332 0.378974 O\n0.605668 0.193731 0.484642 O\n0.015358 0.209089 0.121026 O\n0.894332 0.378974 0.588063 O\n0.484642 0.605668 0.193731 O\n0.209089 0.121026 0.015358 O\n0.290911 0.306269 0.911937 O\n0.911937 0.290911 0.306269 O\n0.378974 0.588063 0.894332 O\n0.209089 0.588063 0.193731 O\n0.193731 0.484642 0.605668 O\n0.193731 0.209089 0.588063 O\n0.121026 0.015358 0.209089 O\n0.588063 0.193731 0.209089 O\n0.605668 0.911937 0.121026 O\n0.306269 0.894332 0.015358 O\n0.411937 0.806269 0.790911 O\n",
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"V",
"Si",
"O"
],
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"density_atomic": 0.09275658224933264,
"volume": 862.4724850788213,
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"formula_full": "Mn12 V8 Si12 O48",
"formula_reduced": "Mn3V2(SiO4)3",
"formula_anonymous": "A2B3C3D12",
"energy": -698.40925407,
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"updated_at": "2021-11-28T01:37:05.602000Z",
"spacegroup": 230
},
{
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"structure_string": "Mn3 Ni34 O40\n1.0\n0.000000 -4.216123 -4.216123\n0.000000 4.216123 -4.216123\n21.060098 0.000000 4.216123\nMn Ni O\n3 34 40\ndirect\n0.599665 0.599665 0.199329 Mn\n0.200000 0.200000 0.400000 Mn\n0.800335 0.800335 0.600671 Mn\n0.500177 0.000177 0.000354 Ni\n0.999324 0.999324 0.998648 Ni\n0.000177 0.500177 0.000354 Ni\n0.499936 0.499936 0.999871 Ni\n0.807183 0.807183 0.101066 Ni\n0.293884 0.807183 0.101066 Ni\n0.807183 0.293884 0.101066 Ni\n0.293884 0.293884 0.101066 Ni\n0.100207 0.600207 0.200414 Ni\n0.600207 0.100207 0.200414 Ni\n0.399769 0.399769 0.299933 Ni\n0.900165 0.399769 0.299933 Ni\n0.900165 0.900165 0.299933 Ni\n0.399769 0.900165 0.299933 Ni\n0.700000 0.200000 0.400000 Ni\n0.200000 0.700000 0.400000 Ni\n0.499835 0.499835 0.500067 Ni\n0.000231 0.000231 0.500067 Ni\n0.000231 0.499835 0.500067 Ni\n0.499835 0.000231 0.500067 Ni\n0.299793 0.799793 0.599586 Ni\n0.799793 0.299793 0.599586 Ni\n0.592817 0.106116 0.698934 Ni\n0.592817 0.592817 0.698934 Ni\n0.106116 0.106116 0.698934 Ni\n0.106116 0.592817 0.698934 Ni\n0.399823 0.899823 0.799646 Ni\n0.900064 0.900064 0.800129 Ni\n0.400676 0.400676 0.801352 Ni\n0.899823 0.399823 0.799646 Ni\n0.700000 0.200000 0.900000 Ni\n0.700000 0.700000 0.900000 Ni\n0.200000 0.200000 0.900000 Ni\n0.200000 0.700000 0.900000 Ni\n0.747555 0.252708 0.000263 O\n0.252708 0.252708 0.000263 O\n0.252708 0.747555 0.000263 O\n0.747555 0.747555 0.000263 O\n0.046841 0.046841 0.093683 O\n0.550449 0.050449 0.100898 O\n0.050449 0.550449 0.100898 O\n0.552620 0.552620 0.105239 O\n0.370953 0.829615 0.200568 O\n0.829615 0.829615 0.200568 O\n0.829615 0.370953 0.200568 O\n0.370953 0.370953 0.200568 O\n0.645203 0.645203 0.290406 O\n0.150205 0.650205 0.300410 O\n0.650205 0.150205 0.300410 O\n0.154160 0.154160 0.308321 O\n0.970451 0.429549 0.400000 O\n0.429549 0.429549 0.400000 O\n0.429549 0.970451 0.400000 O\n0.970451 0.970451 0.400000 O\n0.245840 0.245840 0.491679 O\n0.749795 0.249795 0.499590 O\n0.249795 0.749795 0.499590 O\n0.754797 0.754797 0.509594 O\n0.570385 0.029047 0.599432 O\n0.029047 0.029047 0.599432 O\n0.570385 0.570385 0.599432 O\n0.029047 0.570385 0.599432 O\n0.847380 0.847380 0.694761 O\n0.349551 0.849551 0.699102 O\n0.849551 0.349551 0.699102 O\n0.353159 0.353159 0.706317 O\n0.147292 0.652445 0.799737 O\n0.652445 0.147292 0.799737 O\n0.147292 0.147292 0.799737 O\n0.652445 0.652445 0.799737 O\n0.450080 0.450080 0.900161 O\n0.950000 0.450000 0.900000 O\n0.450000 0.950000 0.900000 O\n0.949920 0.949920 0.899839 O\n",
"nsites": 77,
"nelements": 3,
"elements": [
"Mn",
"Ni",
"O"
],
"chemical_system": "Mn-Ni-O",
"density": 6.21079113296987,
"density_atomic": 0.10284277744137228,
"volume": 748.715679561411,
"volume_molar": 5.855676898101133,
"formula_full": "Mn3 Ni34 O40",
"formula_reduced": "Mn3(Ni17O20)2",
"formula_anonymous": "A3B34C40",
"energy": -519.29866849,
"energy_per_atom": -6.744138551818181,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -400.42066849,
"band_gap": 1.1391999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 76.9958138,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.616000Z",
"spacegroup": 139
},
{
"id": "mp-685820",
"created_at": "2022-09-04T14:44:51.729304Z",
"structure_string": "Sc10 Mn17 S32\n1.0\n7.347577 0.000000 0.000000\n3.561390 6.480581 0.000000\n3.210337 1.842602 23.807527\nSc Mn S\n10 17 32\ndirect\n0.120273 0.628935 0.122610 Sc\n0.632164 0.132279 0.124606 Sc\n0.514318 0.491975 0.003771 Sc\n0.264357 0.716218 0.256112 Sc\n0.514039 0.964307 0.503485 Sc\n0.882750 0.367624 0.375724 Sc\n0.132109 0.617223 0.624326 Sc\n0.760297 0.214222 0.751090 Sc\n0.884912 0.376444 0.875172 Sc\n0.378304 0.877996 0.873454 Sc\n0.425034 0.033984 0.007841 Mn\n0.621271 0.614482 0.120796 Mn\n0.695051 0.265087 0.258497 Mn\n0.375960 0.879700 0.374305 Mn\n0.752663 0.750015 0.255839 Mn\n0.951959 0.510331 0.506320 Mn\n0.870223 0.867036 0.372134 Mn\n0.627013 0.129636 0.623403 Mn\n0.118156 0.139559 0.207460 Mn\n0.002943 0.000419 0.504580 Mn\n0.121275 0.117323 0.620921 Mn\n0.364209 0.393718 0.457226 Mn\n0.252690 0.252348 0.753716 Mn\n0.374340 0.358703 0.873657 Mn\n0.196809 0.765201 0.754226 Mn\n0.615610 0.643602 0.706959 Mn\n0.883514 0.840963 0.963745 Mn\n0.318442 0.314989 0.065524 S\n0.426683 0.429052 0.189992 S\n0.324131 0.796979 0.065305 S\n0.800042 0.322928 0.068202 S\n0.469492 0.898270 0.189018 S\n0.562609 0.553731 0.317978 S\n0.894866 0.485702 0.186821 S\n0.684990 0.675565 0.438016 S\n0.579194 0.033331 0.315024 S\n0.800681 0.824597 0.063798 S\n0.950834 0.936238 0.189880 S\n0.044721 0.570516 0.314774 S\n0.717738 0.152540 0.438565 S\n0.813328 0.803381 0.565567 S\n0.154144 0.741550 0.434438 S\n0.934094 0.925684 0.685785 S\n0.830475 0.283215 0.564068 S\n0.064759 0.064066 0.308826 S\n0.195836 0.193341 0.439217 S\n0.294167 0.822602 0.563718 S\n0.061343 0.057221 0.813575 S\n0.968168 0.402027 0.686757 S\n0.403307 0.990321 0.683489 S\n0.191635 0.179076 0.934336 S\n0.081072 0.538699 0.812112 S\n0.315733 0.312742 0.557984 S\n0.547834 0.069615 0.810614 S\n0.446198 0.445058 0.687498 S\n0.231428 0.659357 0.931809 S\n0.675405 0.200090 0.935482 S\n0.575425 0.553447 0.807859 S\n0.683982 0.689740 0.936995 S\n",
"nsites": 59,
"nelements": 3,
"elements": [
"Sc",
"Mn",
"S"
],
"chemical_system": "Mn-S-Sc",
"density": 3.5295483313716427,
"density_atomic": 0.052045074782932105,
"volume": 1133.6327259798409,
"volume_molar": 11.5710099084629,
"formula_full": "Sc10 Mn17 S32",
"formula_reduced": "Sc10Mn17S32",
"formula_anonymous": "A10B17C32",
"energy": -428.39535033,
"energy_per_atom": -7.260938141186441,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -412.29935033,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 76.9998187,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.685000Z",
"spacegroup": 1
}
]
}