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{
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"results": [
{
"id": "jvasp-112839",
"created_at": "2022-09-04T14:38:44.262483Z",
"updated_at": "2022-09-04T14:38:44.262499Z",
"structure_string": "Li3 Mn3 Ni1 O8\n1.0\n5.015043 -0.010976 -2.755432\n-1.641579 4.749159 -2.896324\n-0.035400 -0.093582 5.798517\nLi Mn Ni O\n3 3 1 8\ndirect\n-0.000000 0.500000 0.000000 Li\n0.499999 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.500001 Mn\n0.500000 -0.000000 -0.000000 Mn\n0.000000 0.500000 0.500001 Mn\n0.000000 0.000000 0.000000 Ni\n0.726654 0.750570 0.976135 O\n0.242506 0.748923 0.966123 O\n0.242496 0.276431 0.493617 O\n0.742166 0.261970 0.480262 O\n0.257833 0.738030 0.519739 O\n0.757503 0.723569 0.506385 O\n0.757493 0.251077 0.033878 O\n0.273345 0.249430 0.023866 O\n",
"nsites": 15,
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"elements": [
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],
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"volume": 135.75321264695475,
"volume_molar": 5.450166367881158,
"formula_full": "Li3 Mn3 Ni1 O8",
"formula_reduced": "Li3Mn3NiO8",
"formula_anonymous": "AB3C3D8",
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"spacegroup": 12
},
{
"id": "jvasp-112821",
"created_at": "2022-09-04T14:38:44.035837Z",
"updated_at": "2022-09-04T14:38:44.035861Z",
"structure_string": "Li5 Mn3 Ni2 O10\n1.0\n4.856383 0.006340 -1.130632\n-1.184420 4.658656 -1.494151\n-0.036924 0.018024 7.735273\nLi Mn Ni O\n5 3 2 10\ndirect\n0.199941 0.924963 0.423195 Li\n0.388773 0.285468 0.774724 Li\n0.499999 0.500002 0.499999 Li\n0.611230 0.714532 0.225278 Li\n0.800055 0.075043 0.576805 Li\n0.000002 0.499998 -0.000001 Mn\n0.689100 0.897839 0.891478 Mn\n0.310900 0.102162 0.108524 Mn\n0.900637 0.309024 0.313939 Ni\n0.099362 0.690977 0.686060 Ni\n0.638993 0.267021 0.040985 O\n0.042351 0.115184 0.871628 O\n0.361010 0.732974 0.959015 O\n0.143969 0.307613 0.550868 O\n0.232445 0.461281 0.222641 O\n0.465955 0.900566 0.669904 O\n0.534049 0.099436 0.330096 O\n0.767554 0.538714 0.777358 O\n0.856027 0.692392 0.449129 O\n0.957651 0.884811 0.128373 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Ni",
"O"
],
"chemical_system": "Li-Mn-Ni-O",
"density": 4.524601288740869,
"density_atomic": 0.11427045320562339,
"volume": 175.0233716498096,
"volume_molar": 5.270076901824735,
"formula_full": "Li5 Mn3 Ni2 O10",
"formula_reduced": "Li5Mn3(NiO5)2",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.5871260762068964,
"spacegroup": 2
},
{
"id": "jvasp-44427",
"created_at": "2022-09-04T14:38:01.762264Z",
"updated_at": "2022-09-04T14:38:01.762284Z",
"structure_string": "Li4 Mn6 Ni2 O16\n1.0\n2.849265 -4.935071 -0.000000\n2.849265 4.935071 0.000000\n-0.000000 -0.000000 9.432695\nLi Mn Ni O\n4 6 2 16\ndirect\n0.333332 0.666666 0.105457 Li\n0.000000 0.000000 0.001808 Li\n0.000000 0.000000 0.501808 Li\n0.666666 0.333332 0.605457 Li\n0.831362 0.168637 0.285731 Mn\n0.337276 0.168637 0.285731 Mn\n0.831361 0.662723 0.285731 Mn\n0.168637 0.831362 0.785731 Mn\n0.168637 0.337276 0.785731 Mn\n0.662723 0.831361 0.785731 Mn\n0.333332 0.666666 0.509888 Ni\n0.666666 0.333332 0.009887 Ni\n0.318829 0.159415 0.896025 O\n0.840584 0.159414 0.896025 O\n0.666666 0.333332 0.393204 O\n0.517187 0.482811 0.168067 O\n0.517187 0.034375 0.168067 O\n0.681170 0.840584 0.396025 O\n0.482811 0.965623 0.668067 O\n0.034375 0.517187 0.668067 O\n0.159414 0.840584 0.396025 O\n0.000000 0.000000 0.186249 O\n0.000000 0.000000 0.686249 O\n0.333332 0.666666 0.893204 O\n0.965623 0.482811 0.168067 O\n0.159415 0.318829 0.396025 O\n0.482811 0.517187 0.668067 O\n0.840584 0.681170 0.896025 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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],
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"density": 4.57443495300479,
"density_atomic": 0.105551885388891,
"volume": 265.27238141543336,
"volume_molar": 5.705384359371957,
"formula_full": "Li4 Mn6 Ni2 O16",
"formula_reduced": "Li2Mn3NiO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.906725151724138,
"spacegroup": 186
},
{
"id": "jvasp-43130",
"created_at": "2022-09-04T14:37:03.080026Z",
"updated_at": "2022-09-04T14:37:03.080053Z",
"structure_string": "Li4 Mn2 Ni4 O12\n1.0\n4.927291 0.075966 0.000000\n-2.410466 4.298095 0.000000\n0.000000 -0.000000 9.760346\nLi Mn Ni O\n4 2 4 12\ndirect\n0.138259 0.638260 0.750000 Li\n0.361740 0.861742 0.250000 Li\n0.638260 0.138260 0.750000 Li\n0.861741 0.361742 0.250000 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500001 0.500000 Mn\n0.163742 0.836259 0.500000 Ni\n0.336258 0.663743 0.000000 Ni\n0.663742 0.336259 0.000000 Ni\n0.836258 0.163743 0.500000 Ni\n0.518672 0.181475 0.393788 O\n0.825129 0.825131 0.401245 O\n0.318526 0.981329 0.893788 O\n0.674871 0.674872 0.901245 O\n0.325129 0.325130 0.098756 O\n0.018672 0.681475 0.106212 O\n0.481328 0.818527 0.606213 O\n0.181474 0.518673 0.393788 O\n0.981328 0.318527 0.893788 O\n0.818526 0.481329 0.606213 O\n0.174871 0.174871 0.598756 O\n0.681474 0.018673 0.106212 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Li-Mn-Ni-O",
"density": 4.495238219811724,
"density_atomic": 0.10551988178120518,
"volume": 208.49151485609949,
"volume_molar": 5.707114771495738,
"formula_full": "Li4 Mn2 Ni4 O12",
"formula_reduced": "Li2Mn(NiO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.3060339128526643,
"spacegroup": 64
},
{
"id": "jvasp-42799",
"created_at": "2022-09-04T14:37:31.508592Z",
"updated_at": "2022-09-04T14:37:31.508614Z",
"structure_string": "Li5 Mn1 Ni4 O10\n1.0\n-2.888113 -0.005585 0.015701\n1.425752 6.294798 0.036708\n-0.206924 -1.955025 -9.410960\nLi Mn Ni O\n5 1 4 10\ndirect\n0.399267 0.809011 0.202032 Li\n0.199949 0.399997 0.599995 Li\n0.000782 0.990992 0.997967 Li\n0.795841 0.605115 0.404232 Li\n0.604088 0.194886 0.795768 Li\n0.700023 0.400001 0.100001 Mn\n0.488982 0.998875 0.499798 Ni\n0.911007 0.801121 0.700202 Ni\n0.091387 0.200681 0.301236 Ni\n0.308624 0.599318 0.898765 Ni\n0.921451 0.909083 0.361127 O\n0.239337 0.494141 0.234366 O\n0.053641 0.080930 0.642796 O\n0.346315 0.719063 0.557201 O\n0.478560 0.890919 0.838876 O\n0.160710 0.305861 0.965637 O\n0.559921 0.121865 0.151913 O\n0.619696 0.277913 0.444402 O\n0.840118 0.678136 0.048088 O\n0.780295 0.522086 0.755602 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
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"O"
],
"chemical_system": "Li-Mn-Ni-O",
"density": 4.709870518308188,
"density_atomic": 0.11710520206436786,
"volume": 170.78660595288355,
"volume_molar": 5.142504904854593,
"formula_full": "Li5 Mn1 Ni4 O10",
"formula_reduced": "Li5Mn(Ni2O5)2",
"formula_anonymous": "AB4C5D10",
"energy_above_hull": 2.1944100920689658,
"spacegroup": 2
},
{
"id": "jvasp-46464",
"created_at": "2022-09-04T14:35:43.322485Z",
"updated_at": "2022-09-04T14:35:43.322515Z",
"structure_string": "Li2 Mn3 Nb1 O8\n1.0\n5.868016 0.021833 0.015439\n2.952917 5.070935 0.015439\n2.952917 1.704867 4.775777\nLi Mn Nb O\n2 3 1 8\ndirect\n0.123809 0.123808 0.123809 Li\n0.876192 0.876192 0.876193 Li\n0.000000 0.500001 0.500000 Mn\n0.500000 -0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500001 Nb\n0.264244 0.264244 0.264244 O\n0.253057 0.253057 0.721895 O\n0.253057 0.721895 0.253057 O\n0.721895 0.253056 0.253057 O\n0.278105 0.746944 0.746944 O\n0.746944 0.278105 0.746944 O\n0.746944 0.746943 0.278106 O\n0.735757 0.735757 0.735757 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"Mn",
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"O"
],
"chemical_system": "Li-Mn-Nb-O",
"density": 4.689555860534653,
"density_atomic": 0.09894358806655089,
"volume": 141.49476761024067,
"volume_molar": 6.086438623945415,
"formula_full": "Li2 Mn3 Nb1 O8",
"formula_reduced": "Li2Mn3NbO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.281081366009852,
"spacegroup": 166
},
{
"id": "jvasp-44512",
"created_at": "2022-09-04T14:36:03.047714Z",
"updated_at": "2022-09-04T14:36:03.047739Z",
"structure_string": "Li4 Mn5 Nb1 O12\n1.0\n5.049160 0.210842 -0.447182\n-2.353135 4.472274 -0.447182\n-0.860487 -1.494704 10.359292\nLi Mn Nb O\n4 5 1 12\ndirect\n0.292270 0.638332 0.730561 Li\n0.361669 0.707730 0.269440 Li\n0.638332 0.292270 0.730560 Li\n0.707730 0.361668 0.269440 Li\n0.164819 0.835181 0.500000 Mn\n0.335490 0.664510 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.664511 0.335489 0.000000 Mn\n0.835181 0.164819 0.500000 Mn\n0.000000 0.000000 0.000000 Nb\n0.857214 0.515285 0.610339 O\n0.484715 0.142786 0.389661 O\n0.764744 0.764744 0.401654 O\n0.596997 0.596997 0.894063 O\n0.403003 0.403003 0.105937 O\n0.109767 0.758108 0.112322 O\n0.515286 0.857214 0.610339 O\n0.142786 0.484715 0.389661 O\n0.241892 0.890234 0.887678 O\n0.758109 0.109766 0.112322 O\n0.235256 0.235256 0.598346 O\n0.890234 0.241892 0.887678 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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],
"chemical_system": "Li-Mn-Nb-O",
"density": 4.195341635566229,
"density_atomic": 0.0946327421455552,
"volume": 232.47767634337032,
"volume_molar": 6.363696774988627,
"formula_full": "Li4 Mn5 Nb1 O12",
"formula_reduced": "Li4Mn5NbO12",
"formula_anonymous": "AB4C5D12",
"energy_above_hull": 3.279753073040752,
"spacegroup": 12
},
{
"id": "jvasp-44621",
"created_at": "2022-09-04T14:36:10.081145Z",
"updated_at": "2022-09-04T14:36:10.081162Z",
"structure_string": "Li5 Mn3 Nb2 O10\n1.0\n5.311830 0.069730 0.035580\n1.032521 5.121436 0.000193\n2.608117 2.102202 7.251939\nLi Mn Nb O\n5 3 2 10\ndirect\n0.528490 0.780376 0.399617 Li\n0.506277 0.602252 0.786374 Li\n0.000000 0.500000 0.500000 Li\n0.493724 0.397748 0.213626 Li\n0.471511 0.219624 0.600382 Li\n0.500000 -0.000000 -0.000000 Mn\n0.989403 0.306937 0.899043 Mn\n0.010598 0.693063 0.100957 Mn\n0.993071 0.092952 0.323151 Nb\n0.006930 0.907048 0.676849 Nb\n0.248852 0.336166 0.058269 O\n0.233062 0.952985 0.846363 O\n0.751148 0.663835 0.941731 O\n0.747433 0.837740 0.548848 O\n0.257885 0.775445 0.243052 O\n0.230010 0.561284 0.654859 O\n0.769991 0.438717 0.345140 O\n0.742116 0.224555 0.756948 O\n0.252567 0.162260 0.451152 O\n0.766939 0.047015 0.153636 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Mn",
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"O"
],
"chemical_system": "Li-Mn-Nb-O",
"density": 4.611584549852078,
"density_atomic": 0.10185326444271539,
"volume": 196.36091301961616,
"volume_molar": 5.9125652898312255,
"formula_full": "Li5 Mn3 Nb2 O10",
"formula_reduced": "Li5Mn3Nb2O10",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 3.1337572762068966,
"spacegroup": 2
},
{
"id": "jvasp-40732",
"created_at": "2022-09-04T14:38:31.677825Z",
"updated_at": "2022-09-04T14:38:31.677851Z",
"structure_string": "Li4 Mn4 Nb4 O16\n1.0\n5.924860 -0.000000 -0.000000\n0.000000 5.924860 -0.000000\n-0.000000 0.000000 8.493717\nLi Mn Nb O\n4 4 4 16\ndirect\n0.000000 0.244803 0.000000 Li\n0.000000 0.755197 0.500000 Li\n0.244803 0.000000 0.250000 Li\n0.755197 0.000000 0.750000 Li\n0.255434 0.500000 0.250000 Mn\n0.500000 0.255434 0.000000 Mn\n0.500000 0.744566 0.500000 Mn\n0.744566 0.500000 0.750000 Mn\n0.750674 0.750674 0.125000 Nb\n0.750674 0.249326 0.375000 Nb\n0.249326 0.750674 0.875000 Nb\n0.249326 0.249326 0.625000 Nb\n0.735284 0.978456 0.494968 O\n0.735284 0.021544 0.005032 O\n0.737202 0.496487 0.983314 O\n0.737202 0.503513 0.516687 O\n0.503513 0.737202 0.733314 O\n0.503513 0.262798 0.766687 O\n0.496487 0.737202 0.266687 O\n0.021544 0.735284 0.244968 O\n0.262798 0.503513 0.483314 O\n0.262798 0.496487 0.016687 O\n0.264716 0.978456 0.505032 O\n0.264716 0.021544 -0.005032 O\n0.978456 0.264716 0.744968 O\n0.021544 0.264716 0.255032 O\n0.496487 0.262798 0.233313 O\n0.978456 0.735284 0.755032 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Li-Mn-Nb-O",
"density": 4.87381162332508,
"density_atomic": 0.09390831738646778,
"volume": 298.1631529480988,
"volume_molar": 6.412787416067357,
"formula_full": "Li4 Mn4 Nb4 O16",
"formula_reduced": "LiMnNbO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.968657234482759,
"spacegroup": 95
},
{
"id": "jvasp-43204",
"created_at": "2022-09-04T14:36:20.901004Z",
"updated_at": "2022-09-04T14:36:20.901029Z",
"structure_string": "Li2 Mn1 Nb3 O8\n1.0\n6.230111 0.106038 0.074980\n3.206887 5.342416 0.074980\n3.206887 1.851497 5.011884\nLi Mn Nb O\n2 1 3 8\ndirect\n0.124011 0.124011 0.124011 Li\n0.499752 0.499753 0.499752 Li\n0.876167 0.876168 0.876166 Mn\n0.004961 0.498981 0.498980 Nb\n0.498980 0.004961 0.498980 Nb\n0.498980 0.498981 0.004961 Nb\n0.252821 0.252821 0.252821 O\n0.250828 0.250829 0.725904 O\n0.250828 0.725906 0.250827 O\n0.725905 0.250828 0.250827 O\n0.276580 0.745867 0.745865 O\n0.745866 0.276580 0.745865 O\n0.745866 0.745867 0.276579 O\n0.748457 0.748459 0.748456 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"Nb",
"O"
],
"chemical_system": "Li-Mn-Nb-O",
"density": 4.831642669464955,
"density_atomic": 0.08566271222349883,
"volume": 163.43166865267133,
"volume_molar": 7.030060809057617,
"formula_full": "Li2 Mn1 Nb3 O8",
"formula_reduced": "Li2MnNb3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.4843273886699504,
"spacegroup": 160
},
{
"id": "jvasp-111706",
"created_at": "2022-09-04T14:38:38.073817Z",
"updated_at": "2022-09-04T14:38:38.073841Z",
"structure_string": "Li8 Mn2 Ge4 S14\n1.0\n9.097344 0.013842 0.638857\n6.632948 6.226222 0.638857\n-0.032032 -0.012707 10.102776\nLi Mn Ge S\n8 2 4 14\ndirect\n0.568658 0.271505 0.292995 Li\n0.271506 0.568657 0.792996 Li\n0.025037 0.679683 0.140177 Li\n0.679684 0.025036 0.640177 Li\n0.975806 0.305970 0.218693 Li\n0.305971 0.975805 0.718693 Li\n0.894675 0.529704 0.858076 Li\n0.529705 0.894674 0.358076 Li\n0.818837 0.169330 0.940004 Mn\n0.169331 0.818836 0.440004 Mn\n0.396417 0.741597 0.079339 Ge\n0.741598 0.396416 0.579339 Ge\n0.448264 0.117752 0.018821 Ge\n0.117753 0.448264 0.518821 Ge\n0.568126 0.190754 0.853096 S\n0.508677 0.846522 0.926846 S\n0.846523 0.508676 0.426846 S\n0.678203 0.391571 0.129090 S\n0.391572 0.678203 0.629090 S\n0.271646 0.925786 0.265500 S\n0.925787 0.271645 0.765500 S\n0.143448 0.796361 0.985828 S\n0.796362 0.143446 0.485828 S\n0.652445 0.983039 0.192028 S\n0.983041 0.652444 0.692028 S\n0.098959 0.394943 0.052534 S\n0.394944 0.098958 0.552534 S\n0.190755 0.568125 0.353096 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Ge",
"S"
],
"chemical_system": "Ge-Li-Mn-S",
"density": 2.629359747618106,
"density_atomic": 0.04899714681857862,
"volume": 571.4618466188531,
"volume_molar": 12.290798854672369,
"formula_full": "Li8 Mn2 Ge4 S14",
"formula_reduced": "Li4MnGe2S7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 1.8640192243842368,
"spacegroup": 9
},
{
"id": "jvasp-112809",
"created_at": "2022-09-04T14:38:44.344371Z",
"updated_at": "2022-09-04T14:38:44.344399Z",
"structure_string": "Li2 Mn3 Ga1 O8\n1.0\n5.037266 0.060469 2.959403\n1.722898 4.733723 2.959711\n0.085829 0.060306 5.841631\nLi Mn Ga O\n2 3 1 8\ndirect\n0.123113 0.123092 0.123102 Li\n0.876889 0.876909 0.876896 Li\n0.499998 0.000003 0.499998 Mn\n0.499999 0.499999 0.000001 Mn\n0.000002 0.499998 0.499999 Mn\n0.500000 0.500000 0.500000 Ga\n0.262958 0.262927 0.262931 O\n0.713576 0.257362 0.257366 O\n0.257367 0.713584 0.257388 O\n0.257363 0.257376 0.713580 O\n0.742635 0.286417 0.742610 O\n0.742639 0.742625 0.286417 O\n0.286426 0.742638 0.742632 O\n0.737045 0.737074 0.737067 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Ga",
"O"
],
"chemical_system": "Ga-Li-Mn-O",
"density": 4.565526425338502,
"density_atomic": 0.10225949524729264,
"volume": 136.90660183823522,
"volume_molar": 5.8890773374509084,
"formula_full": "Li2 Mn3 Ga1 O8",
"formula_reduced": "Li2Mn3GaO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.7616430035098523,
"spacegroup": 166
}
]
}