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{
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"results": [
{
"id": "mp-1236180",
"created_at": "2022-09-04T14:45:16.284639Z",
"structure_string": "Li1 V2 Zn2 Si2 O10\n1.0\n3.528157 -0.059620 4.282829\n-3.193277 6.720803 -0.008798\n0.303036 0.124158 8.324703\nLi V Zn Si O\n1 2 2 2 10\ndirect\n0.494668 0.497370 0.003133 Li\n0.501055 0.499274 0.500297 V\n0.501836 0.999107 0.499912 V\n0.480859 0.205332 0.215222 Zn\n0.524642 0.794071 0.783997 Zn\n0.540606 0.231342 0.808894 Si\n0.462917 0.767128 0.190829 Si\n0.777639 0.115378 0.579053 O\n0.497767 0.416040 0.745527 O\n0.226649 0.883399 0.420399 O\n0.503804 0.581942 0.255221 O\n0.201295 0.674820 0.152665 O\n0.940065 0.948158 0.871769 O\n0.801416 0.323965 0.847518 O\n0.063529 0.050264 0.127945 O\n0.408794 0.731949 0.622134 O\n0.595813 0.266916 0.377554 O\n",
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"elements": [
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"density": 4.0825713787433795,
"density_atomic": 0.09169647059799785,
"volume": 185.3942675125294,
"volume_molar": 6.56747279445616,
"formula_full": "Li1 V2 Zn2 Si2 O10",
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},
{
"id": "mp-695475",
"created_at": "2022-09-04T14:45:16.287086Z",
"structure_string": "Ca12 Y4 Ga12 B16 O60\n1.0\n11.924671 0.000000 0.000000\n0.000000 10.648053 0.000000\n0.000000 5.321868 9.243772\nCa Y Ga B O\n12 4 12 16 60\ndirect\n0.500000 0.822808 0.879140 Ca\n0.000000 0.661068 0.671604 Ca\n0.000000 0.309538 0.834319 Ca\n0.500000 0.304353 0.836423 Ca\n0.749732 0.117281 0.749615 Ca\n0.250268 0.117281 0.749615 Ca\n0.000000 0.860760 0.324758 Ca\n0.500000 0.865488 0.321708 Ca\n0.750203 0.731646 0.164765 Ca\n0.249797 0.731646 0.164765 Ca\n0.751066 0.141189 0.128722 Ca\n0.248934 0.141189 0.128722 Ca\n0.000000 0.814209 0.875502 Y\n0.500000 0.664071 0.676523 Y\n0.750534 0.329715 0.342246 Y\n0.249466 0.329715 0.342246 Y\n0.128558 0.491888 0.007871 Ga\n0.125682 0.495952 0.508764 Ga\n0.625936 0.497822 0.507538 Ga\n0.874318 0.495952 0.508764 Ga\n0.374064 0.497822 0.507538 Ga\n0.127190 0.995952 0.514739 Ga\n0.872810 0.995952 0.514739 Ga\n0.373752 0.998034 0.514271 Ga\n0.626248 0.998034 0.514271 Ga\n0.626114 0.494775 0.009436 Ga\n0.871442 0.491888 0.007871 Ga\n0.373886 0.494775 0.009436 Ga\n0.747235 0.768778 0.782885 B\n0.252765 0.768778 0.782885 B\n0.749032 0.453728 0.777833 B\n0.250968 0.453728 0.777833 B\n0.125289 0.995582 0.011324 B\n0.874711 0.995582 0.011324 B\n0.629916 0.994676 0.014841 B\n0.370084 0.994676 0.014841 B\n0.250616 0.766163 0.474909 B\n0.749384 0.766163 0.474909 B\n0.000000 0.221496 0.556439 B\n0.500000 0.223344 0.555883 B\n0.000000 0.541032 0.237654 B\n0.500000 0.540893 0.237280 B\n0.000000 0.223383 0.238197 B\n0.500000 0.224074 0.235781 B\n0.848791 0.698427 0.835504 O\n0.353905 0.694972 0.828753 O\n0.151209 0.698427 0.835504 O\n0.646095 0.694972 0.828753 O\n0.000000 0.476289 0.913675 O\n0.500000 0.475949 0.910275 O\n0.748060 0.917855 0.679650 O\n0.251940 0.917855 0.679650 O\n0.749400 0.413327 0.926210 O\n0.250600 0.413327 0.926210 O\n0.000000 0.901745 0.636044 O\n0.500000 0.900008 0.631943 O\n0.646655 0.477351 0.707219 O\n0.849976 0.470615 0.708397 O\n0.150024 0.470615 0.708397 O\n0.353345 0.477351 0.707219 O\n0.647204 0.812666 0.500593 O\n0.149567 0.817541 0.495049 O\n0.850433 0.817541 0.495049 O\n0.352796 0.812666 0.500593 O\n0.000000 0.615037 0.481078 O\n0.500000 0.617350 0.485836 O\n0.749518 0.662723 0.428376 O\n0.250482 0.662723 0.428376 O\n0.000000 0.329423 0.595738 O\n0.500000 0.331914 0.594172 O\n0.749467 0.373959 0.531845 O\n0.250533 0.373959 0.531845 O\n0.866783 0.929807 0.159144 O\n0.363765 0.939743 0.162021 O\n0.636235 0.939743 0.162021 O\n0.133217 0.929807 0.159144 O\n0.896745 0.171365 0.538814 O\n0.396996 0.172409 0.538836 O\n0.103255 0.171365 0.538814 O\n0.603004 0.172409 0.538836 O\n0.102970 0.519590 0.306373 O\n0.897030 0.519590 0.306373 O\n0.602801 0.523469 0.306001 O\n0.397199 0.523469 0.306001 O\n0.127565 0.910488 0.945815 O\n0.637861 0.902027 0.959577 O\n0.362139 0.902027 0.959577 O\n0.872435 0.910488 0.945815 O\n0.749549 0.093888 0.388178 O\n0.250451 0.093888 0.388178 O\n0.000000 0.587322 0.088141 O\n0.500000 0.578890 0.090584 O\n0.000000 0.077078 0.348767 O\n0.500000 0.078562 0.347354 O\n0.750002 0.519936 0.107901 O\n0.249998 0.519936 0.107901 O\n0.102849 0.291963 0.185769 O\n0.602915 0.292318 0.183098 O\n0.897151 0.291963 0.185769 O\n0.397085 0.292318 0.183098 O\n0.133727 0.142823 0.926174 O\n0.634698 0.142513 0.922534 O\n0.866273 0.142823 0.926174 O\n0.365302 0.142513 0.922534 O\n",
"nsites": 104,
"nelements": 5,
"elements": [
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"Y",
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"O"
],
"chemical_system": "B-Ca-Ga-O-Y",
"density": 3.9700691905178194,
"density_atomic": 0.08860689221536101,
"volume": 1173.7235941784945,
"volume_molar": 6.796469901419242,
"formula_full": "Ca12 Y4 Ga12 B16 O60",
"formula_reduced": "Ca3YGa3B4O15",
"formula_anonymous": "AB3C3D4E15",
"energy": -801.3097449200001,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.112000Z",
"spacegroup": 6
},
{
"id": "mp-1210792",
"created_at": "2022-09-04T14:45:16.289645Z",
"structure_string": "Li8 Al4\n1.0\n-4.819426 -4.819426 0.000000\n-4.819426 0.000000 -4.819426\n0.000000 -4.819426 -4.819426\nLi Al\n8 4\ndirect\n0.603447 0.603447 0.603447 Li\n0.189658 0.603447 0.603447 Li\n0.603447 0.189658 0.603447 Li\n0.560342 0.146553 0.146553 Li\n0.146553 0.146553 0.146553 Li\n0.603447 0.603447 0.189658 Li\n0.146553 0.560342 0.146553 Li\n0.146553 0.146553 0.560342 Li\n0.875000 0.875000 0.875000 Al\n0.375000 0.875000 0.875000 Al\n0.875000 0.375000 0.875000 Al\n0.875000 0.875000 0.375000 Al\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Li",
"Al"
],
"chemical_system": "Al-Li",
"density": 1.212353069023473,
"density_atomic": 0.05360006317465914,
"volume": 223.88033314246766,
"volume_molar": 11.235323996496946,
"formula_full": "Li8 Al4",
"formula_reduced": "Li2Al",
"formula_anonymous": "AB2",
"energy": -28.2626225,
"energy_per_atom": -2.3552185416666664,
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"updated_at": "2021-11-28T01:37:00.224000Z",
"spacegroup": 227
},
{
"id": "mp-1225817",
"created_at": "2022-09-04T14:45:16.292969Z",
"structure_string": "Dy2 Fe4 Co4 B2\n1.0\n-2.546959 -4.383016 0.002085\n-2.519484 4.367142 -0.000405\n0.002405 0.002024 -6.843083\nDy Fe Co B\n2 4 4 2\ndirect\n0.998893 0.999424 0.002434 Dy\n0.000747 0.000361 0.493680 Dy\n0.501354 0.000617 0.713159 Fe\n0.501335 0.500765 0.713194 Fe\n0.334521 0.667129 0.002779 Fe\n0.663211 0.331624 0.002998 Fe\n0.999139 0.499599 0.287451 Co\n0.499422 0.999781 0.288935 Co\n0.499480 0.499751 0.288844 Co\n0.001143 0.500629 0.712669 Co\n0.331022 0.665613 0.496945 B\n0.669534 0.334707 0.496914 B\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Dy",
"Fe",
"Co",
"B"
],
"chemical_system": "B-Co-Dy-Fe",
"density": 8.820733471570335,
"density_atomic": 0.07911243239210361,
"volume": 151.68285991416118,
"volume_molar": 7.612129444020335,
"formula_full": "Dy2 Fe4 Co4 B2",
"formula_reduced": "DyFe2Co2B",
"formula_anonymous": "ABC2D2",
"energy": -88.41458585,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:58.324000Z",
"spacegroup": 35
},
{
"id": "mp-1102716",
"created_at": "2022-09-04T14:45:16.294688Z",
"structure_string": "Li8 Sb1 O3\n1.0\n5.254829 0.000000 0.000000\n0.000000 5.254829 0.000000\n0.000000 0.000000 5.254829\nLi Sb O\n8 1 3\ndirect\n0.273764 0.273764 0.273764 Li\n0.726236 0.726236 0.273764 Li\n0.726236 0.273764 0.726236 Li\n0.273764 0.726236 0.726236 Li\n0.273764 0.273764 0.726236 Li\n0.726236 0.726236 0.726236 Li\n0.726236 0.273764 0.273764 Li\n0.273764 0.726236 0.273764 Li\n0.000000 0.000000 0.000000 Sb\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Sb",
"O"
],
"chemical_system": "Li-O-Sb",
"density": 2.578148465786428,
"density_atomic": 0.0826999947613801,
"volume": 145.10279032815436,
"volume_molar": 7.281911900207601,
"formula_full": "Li8 Sb1 O3",
"formula_reduced": "Li8SbO3",
"formula_anonymous": "AB3C8",
"energy": -49.75438531,
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"updated_at": "2021-11-28T01:37:09.008000Z",
"spacegroup": 221
},
{
"id": "mp-669554",
"created_at": "2022-09-04T14:45:16.297555Z",
"structure_string": "Mn12 Si4 Ni8\n1.0\n0.000000 5.344063 5.344063\n5.344063 0.000000 5.344063\n5.344063 5.344063 0.000000\nMn Si Ni\n12 4 8\ndirect\n0.940535 0.559465 0.559465 Mn\n0.690535 0.309465 0.309465 Mn\n0.690535 0.690535 0.309465 Mn\n0.690535 0.309465 0.690535 Mn\n0.559465 0.940535 0.559465 Mn\n0.559465 0.940535 0.940535 Mn\n0.309465 0.690535 0.309465 Mn\n0.309465 0.690535 0.690535 Mn\n0.940535 0.940535 0.559465 Mn\n0.940535 0.559465 0.940535 Mn\n0.559465 0.559465 0.940535 Mn\n0.309465 0.309465 0.690535 Mn\n0.125000 0.125000 0.125000 Si\n0.125000 0.125000 0.625000 Si\n0.125000 0.625000 0.125000 Si\n0.625000 0.125000 0.125000 Si\n0.336071 0.991788 0.336071 Ni\n0.336071 0.336071 0.991788 Ni\n0.913929 0.258212 0.913929 Ni\n0.913929 0.913929 0.258212 Ni\n0.991788 0.336071 0.336071 Ni\n0.913929 0.913929 0.913929 Ni\n0.258212 0.913929 0.913929 Ni\n0.336071 0.336071 0.336071 Ni\n",
"nsites": 24,
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"elements": [
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"Si",
"Ni"
],
"chemical_system": "Mn-Ni-Si",
"density": 6.7519182426398885,
"density_atomic": 0.0786260644708638,
"volume": 305.2422903462706,
"volume_molar": 7.659216826541794,
"formula_full": "Mn12 Si4 Ni8",
"formula_reduced": "Mn3SiNi2",
"formula_anonymous": "AB2C3",
"energy": -182.59442387,
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"updated_at": "2021-11-28T01:37:00.609000Z",
"spacegroup": 227
},
{
"id": "mp-1235324",
"created_at": "2022-09-04T14:45:16.298613Z",
"structure_string": "Li1 Nb2 Te4 Cl10 O1\n1.0\n7.135270 -0.125874 0.311213\n2.313898 8.480573 1.444550\n-0.371902 0.016320 9.457510\nLi Nb Te Cl O\n1 2 4 10 1\ndirect\n0.595470 0.350048 0.011864 Li\n0.521585 0.648428 0.636900 Nb\n0.481681 0.364340 0.377061 Nb\n0.190256 0.905773 0.162443 Te\n0.100713 0.189007 0.981317 Te\n0.919642 0.807247 0.019910 Te\n0.836247 0.085634 0.830400 Te\n0.457549 0.187581 0.179914 Cl\n0.381211 0.477710 0.817597 Cl\n0.795368 0.202936 0.427784 Cl\n0.169782 0.527025 0.283338 Cl\n0.620718 0.515232 0.178549 Cl\n0.336226 0.200513 0.529760 Cl\n0.831948 0.475373 0.724468 Cl\n0.663124 0.789370 0.460319 Cl\n0.204711 0.789203 0.572665 Cl\n0.547302 0.814393 0.809144 Cl\n0.503875 0.498756 0.503707 O\n",
"nsites": 18,
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"elements": [
"Li",
"Nb",
"Te",
"Cl",
"O"
],
"chemical_system": "Cl-Li-Nb-O-Te",
"density": 3.0956635186663517,
"density_atomic": 0.03125366950023376,
"volume": 575.9323717128758,
"volume_molar": 19.268587837197668,
"formula_full": "Li1 Nb2 Te4 Cl10 O1",
"formula_reduced": "LiNb2Te4Cl10O",
"formula_anonymous": "ABC2D4E10",
"energy": -84.2368967,
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"updated_at": "2021-11-28T01:36:54.319000Z",
"spacegroup": 1
},
{
"id": "mp-1204153",
"created_at": "2022-09-04T14:45:16.300988Z",
"structure_string": "Rb2 U2 B10 O22 F2\n1.0\n5.627969 3.268234 0.000000\n5.627969 -3.268234 0.000000\n1.317894 0.000000 -14.323717\nRb U B O F\n2 2 10 22 2\ndirect\n0.072078 0.341001 0.550748 Rb\n0.341001 0.072078 0.050748 Rb\n0.113042 0.847949 0.332597 U\n0.847949 0.113042 0.832597 U\n0.431458 0.028783 0.799237 B\n0.028783 0.431458 0.299237 B\n0.456794 0.177859 0.328584 B\n0.177859 0.456794 0.828584 B\n0.694840 0.364604 0.371904 B\n0.364604 0.694840 0.871904 B\n0.629449 0.749859 0.282671 B\n0.749859 0.629449 0.782671 B\n0.557887 0.864510 0.644339 B\n0.864510 0.557887 0.144339 B\n0.399393 0.049145 0.697921 O\n0.049145 0.399393 0.197921 O\n0.668788 0.161222 0.344790 O\n0.161222 0.668788 0.844790 O\n0.540861 0.587703 0.321254 O\n0.587703 0.540861 0.821254 O\n0.951512 0.273161 0.348901 O\n0.273161 0.951512 0.848901 O\n0.523740 0.893325 0.549809 O\n0.893325 0.523740 0.049809 O\n0.858289 0.679387 0.322291 O\n0.679387 0.858289 0.822291 O\n0.251905 0.394556 0.334329 O\n0.394556 0.251905 0.834329 O\n0.742021 0.660035 0.679722 O\n0.660035 0.742021 0.179722 O\n0.110070 0.883630 0.207202 O\n0.883630 0.110070 0.707202 O\n0.110958 0.812360 0.457714 O\n0.812360 0.110958 0.957714 O\n0.437829 0.985856 0.307619 O\n0.985856 0.437829 0.807619 O\n0.649128 0.390972 0.469559 F\n0.390972 0.649128 0.969559 F\n",
"nsites": 38,
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"elements": [
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"U",
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"O",
"F"
],
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"volume": 526.927139821385,
"volume_molar": 8.350603700706795,
"formula_full": "Rb2 U2 B10 O22 F2",
"formula_reduced": "RbUB5O11F",
"formula_anonymous": "ABCD5E11",
"energy": -313.98860593,
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{
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}