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{
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"results": [
{
"id": "mp-28479",
"created_at": "2022-09-04T14:40:30.200938Z",
"structure_string": "Sc2 C1 Cl2\n1.0\n1.724494 -2.986912 0.000000\n1.724494 2.986912 0.000000\n0.000000 0.000000 10.100014\nSc C Cl\n2 1 2\ndirect\n0.666667 0.333333 0.621897 Sc\n0.333333 0.666667 0.378103 Sc\n0.000000 0.000000 0.500000 C\n0.666667 0.333333 0.212614 Cl\n0.333333 0.666667 0.787386 Cl\n",
"nsites": 5,
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"density": 2.7582170050041097,
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"volume": 104.04856304059662,
"volume_molar": 12.531901850124129,
"formula_full": "Sc2 C1 Cl2",
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{
"id": "mp-754463",
"created_at": "2022-09-04T14:40:33.156247Z",
"structure_string": "Na8 Fe4 P4 C4 O28\n1.0\n-0.160750 5.281253 6.527385\n-0.343390 -5.324299 6.571808\n8.909265 0.064955 -0.131003\nNa Fe P C O\n8 4 4 4 28\ndirect\n0.527070 0.757188 0.083581 Na\n0.027075 0.257187 0.083583 Na\n0.472924 0.242813 0.916416 Na\n0.972928 0.742812 0.916420 Na\n0.130287 0.878950 0.264099 Na\n0.630289 0.378943 0.264098 Na\n0.869710 0.121055 0.735901 Na\n0.369715 0.621051 0.735902 Na\n0.256637 0.477432 0.344635 Fe\n0.243363 0.022569 0.655362 Fe\n0.756634 0.977429 0.344612 Fe\n0.743366 0.522571 0.655387 Fe\n0.481881 0.759576 0.426829 P\n0.981900 0.259580 0.426834 P\n0.518100 0.240420 0.573166 P\n0.018119 0.740423 0.573171 P\n0.735637 0.022197 0.066597 C\n0.235636 0.522202 0.066595 C\n0.264364 0.977798 0.933405 C\n0.764362 0.477803 0.933404 C\n0.267875 0.944695 0.070213 O\n0.767873 0.444695 0.070213 O\n0.732127 0.055305 0.929787 O\n0.232125 0.555305 0.929787 O\n0.837587 0.897932 0.121170 O\n0.337587 0.397936 0.121171 O\n0.162413 0.102064 0.878830 O\n0.662414 0.602068 0.878831 O\n0.635186 0.107516 0.165994 O\n0.135185 0.607522 0.165994 O\n0.364815 0.892478 0.834006 O\n0.864814 0.392483 0.834006 O\n0.423441 0.632511 0.317305 O\n0.923439 0.132510 0.317301 O\n0.576561 0.367491 0.682698 O\n0.076559 0.867489 0.682696 O\n0.600382 0.831589 0.334350 O\n0.100378 0.331589 0.334360 O\n0.399623 0.168411 0.665641 O\n0.899617 0.668411 0.665650 O\n0.437709 0.319539 0.430578 O\n0.937706 0.819540 0.430567 O\n0.562294 0.680461 0.569434 O\n0.062290 0.180461 0.569422 O\n0.331404 0.893181 0.474009 O\n0.831398 0.393192 0.474021 O\n0.668602 0.106808 0.525979 O\n0.168596 0.606818 0.525991 O\n",
"nsites": 48,
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"elements": [
"Na",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Na-O-P",
"density": 2.7582145103072175,
"density_atomic": 0.07761703518094724,
"volume": 618.4209418473462,
"volume_molar": 7.7587874182010275,
"formula_full": "Na8 Fe4 P4 C4 O28",
"formula_reduced": "Na2FePCO7",
"formula_anonymous": "ABCD2E7",
"energy": -349.57945211,
"energy_per_atom": -7.282905252291666,
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"updated_at": "2021-11-28T01:34:52.397000Z",
"spacegroup": 2
},
{
"id": "mp-1212138",
"created_at": "2022-09-04T14:42:47.442657Z",
"structure_string": "K8 Ce4 Cl20\n1.0\n8.174838 0.000000 0.000000\n0.000000 8.849467 0.000000\n0.000000 0.000000 13.167990\nK Ce Cl\n8 4 20\ndirect\n0.531944 0.499772 0.826310 K\n0.468056 0.500228 0.173690 K\n0.031944 0.500228 0.673690 K\n0.468056 0.999772 0.173690 K\n0.968056 0.499772 0.326310 K\n0.531944 0.000228 0.826310 K\n0.968056 0.000228 0.326310 K\n0.031944 0.999772 0.673690 K\n0.574310 0.750000 0.503929 Ce\n0.425690 0.250000 0.496071 Ce\n0.074310 0.250000 0.996071 Ce\n0.925690 0.750000 0.003929 Ce\n0.824915 0.750000 0.798097 Cl\n0.175085 0.250000 0.201903 Cl\n0.324915 0.250000 0.701903 Cl\n0.675085 0.750000 0.298097 Cl\n0.359511 0.750000 0.669926 Cl\n0.640489 0.250000 0.330074 Cl\n0.859511 0.250000 0.830074 Cl\n0.140489 0.750000 0.169926 Cl\n0.920318 0.750000 0.510613 Cl\n0.079682 0.250000 0.489387 Cl\n0.420318 0.250000 0.989387 Cl\n0.579682 0.750000 0.010613 Cl\n0.655784 0.040019 0.584730 Cl\n0.344216 0.959981 0.415270 Cl\n0.155784 0.959981 0.915270 Cl\n0.344216 0.540019 0.415270 Cl\n0.844216 0.040019 0.084730 Cl\n0.655784 0.459981 0.584730 Cl\n0.844216 0.459981 0.084730 Cl\n0.155784 0.540019 0.915270 Cl\n",
"nsites": 32,
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"elements": [
"K",
"Ce",
"Cl"
],
"chemical_system": "Ce-Cl-K",
"density": 2.7581953555132683,
"density_atomic": 0.03359187310953762,
"volume": 952.611362148613,
"volume_molar": 17.927374101357138,
"formula_full": "K8 Ce4 Cl20",
"formula_reduced": "K2CeCl5",
"formula_anonymous": "AB2C5",
"energy": -150.41741172,
"energy_per_atom": -4.70054411625,
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"updated_at": "2021-11-28T01:35:59.194000Z",
"spacegroup": 62
},
{
"id": "mp-28264",
"created_at": "2022-09-04T14:44:22.625606Z",
"structure_string": "Rb2 H6 O4\n1.0\n2.113879 -5.695881 0.000000\n2.113879 5.695881 0.000000\n0.000000 0.000000 6.024746\nRb H O\n2 6 4\ndirect\n0.153484 0.846516 0.774244 Rb\n0.846516 0.153484 0.274244 Rb\n0.511976 0.488024 0.511807 H\n0.488024 0.511976 0.011807 H\n0.086295 0.302330 0.800098 H\n0.913705 0.697670 0.300098 H\n0.302330 0.086295 0.300098 H\n0.697670 0.913705 0.800098 H\n0.159402 0.840598 0.264404 O\n0.531898 0.468102 0.353449 O\n0.840598 0.159402 0.764404 O\n0.468102 0.531898 0.853449 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Rb",
"H",
"O"
],
"chemical_system": "H-O-Rb",
"density": 2.7581751542758077,
"density_atomic": 0.08271256266941587,
"volume": 145.0807424255659,
"volume_molar": 7.280805437100513,
"formula_full": "Rb2 H6 O4",
"formula_reduced": "RbH3O2",
"formula_anonymous": "AB2C3",
"energy": -59.56698897,
"energy_per_atom": -4.9639157475,
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"updated_at": "2021-11-28T01:36:37.800000Z",
"spacegroup": 36
},
{
"id": "mp-831074",
"created_at": "2022-09-04T14:40:10.726257Z",
"structure_string": "Li4 Cr2 P10 O30\n1.0\n5.544708 3.794818 0.000000\n-5.544708 3.794818 0.000000\n0.000000 2.868737 13.183124\nLi Cr P O\n4 2 10 30\ndirect\n0.770376 0.267708 0.723384 Li\n0.267708 0.770376 0.223384 Li\n0.188827 0.472833 0.564687 Li\n0.472833 0.188827 0.064687 Li\n0.182642 0.914253 0.777448 Cr\n0.914253 0.182642 0.277448 Cr\n0.341430 0.958984 0.529798 P\n0.707467 0.584650 0.557193 P\n0.621775 0.810445 0.831134 P\n0.958984 0.341430 0.029798 P\n0.584650 0.707467 0.057193 P\n0.810445 0.621775 0.331134 P\n0.821795 0.085867 0.527795 P\n0.085867 0.821795 0.027795 P\n0.234778 0.423190 0.828036 P\n0.423190 0.234778 0.328036 P\n0.856997 0.853292 0.798273 O\n0.853292 0.856997 0.298273 O\n0.820271 0.520155 0.635336 O\n0.520155 0.820271 0.135336 O\n0.791290 0.843306 0.540540 O\n0.843306 0.791290 0.040540 O\n0.565581 0.827095 0.946560 O\n0.827095 0.565581 0.446560 O\n0.529677 0.957035 0.771760 O\n0.957035 0.529677 0.271760 O\n0.763157 0.307188 0.982624 O\n0.307188 0.763157 0.482624 O\n0.193058 0.918374 0.918656 O\n0.468762 0.479720 0.566801 O\n0.918374 0.193058 0.418656 O\n0.489620 0.559700 0.824579 O\n0.479720 0.468762 0.066801 O\n0.559700 0.489620 0.324579 O\n0.942581 0.196573 0.603971 O\n0.196573 0.942581 0.103971 O\n0.581884 0.080668 0.550902 O\n0.080668 0.581884 0.050902 O\n0.132444 0.579970 0.790226 O\n0.579970 0.132444 0.290226 O\n0.144845 0.321831 0.946271 O\n0.321831 0.144845 0.446271 O\n0.221650 0.240539 0.770906 O\n0.240539 0.221650 0.270906 O\n0.200206 0.940292 0.628921 O\n0.940292 0.200206 0.128921 O\n",
"nsites": 46,
"nelements": 4,
"elements": [
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"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P",
"density": 2.7581321874091254,
"density_atomic": 0.08291629101653535,
"volume": 554.77638273553,
"volume_molar": 7.262916232949991,
"formula_full": "Li4 Cr2 P10 O30",
"formula_reduced": "Li2Cr(PO3)5",
"formula_anonymous": "AB2C5D15",
"energy": -347.20035192,
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"updated_at": "2021-11-28T01:34:48.021000Z",
"spacegroup": 9
},
{
"id": "mp-1298606",
"created_at": "2022-09-04T14:44:21.614347Z",
"structure_string": "Li8 V4 O4 F16\n1.0\n-4.988150 -0.002321 -1.832847\n-0.028558 0.004137 7.409398\n-0.011621 10.205826 3.710488\nLi V O F\n8 4 4 16\ndirect\n0.728996 0.967998 0.922549 Li\n0.729099 0.468111 0.922487 Li\n0.271472 0.359344 0.422410 Li\n0.271429 0.859337 0.422410 Li\n0.633790 0.286060 0.248891 Li\n0.633692 0.786053 0.248858 Li\n0.366883 0.214715 0.748939 Li\n0.366755 0.714653 0.748884 Li\n0.724099 0.630296 0.559003 V\n0.275632 0.060776 0.058762 V\n0.723956 0.130102 0.559114 V\n0.275793 0.560663 0.058779 V\n0.684188 0.386604 0.567628 O\n0.684102 0.886550 0.567614 O\n0.315387 0.295799 0.067167 O\n0.316091 0.795772 0.067294 O\n0.919939 0.414933 0.123075 F\n0.920186 0.914429 0.123318 F\n0.079095 0.211926 0.623981 F\n0.079239 0.712186 0.623861 F\n0.893523 0.278311 0.390808 F\n0.893578 0.778381 0.390739 F\n0.106743 0.082110 0.890244 F\n0.107027 0.582596 0.890219 F\n0.609163 0.173428 0.951481 F\n0.609086 0.673222 0.951571 F\n0.390787 0.125261 0.451074 F\n0.390797 0.625363 0.450841 F\n0.545937 0.017851 0.737159 F\n0.545899 0.517989 0.737129 F\n0.453740 0.494430 0.236858 F\n0.453896 0.994757 0.236848 F\n",
"nsites": 32,
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"elements": [
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"O",
"F"
],
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"density": 2.7580610055884995,
"density_atomic": 0.08473307464626112,
"volume": 377.6565424256325,
"volume_molar": 7.107190179443971,
"formula_full": "Li8 V4 O4 F16",
"formula_reduced": "Li2VOF4",
"formula_anonymous": "ABC2D4",
"energy": -198.90215625,
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"updated_at": "2021-11-28T01:36:40.893000Z",
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},
{
"id": "mp-1016338",
"created_at": "2022-09-04T14:41:46.371219Z",
"structure_string": "Sr2 Mg12 Cd2\n1.0\n5.246933 0.000000 0.000000\n0.000000 6.682835 0.000000\n0.000000 0.000000 11.877265\nSr Mg Cd\n2 12 2\ndirect\n0.500000 0.000000 0.168733 Sr\n0.500000 0.500000 0.668733 Sr\n0.500000 0.243699 0.418922 Mg\n0.500000 0.756301 0.418922 Mg\n0.000000 0.736434 0.079335 Mg\n0.000000 0.263566 0.079335 Mg\n0.000000 0.000000 0.341889 Mg\n0.000000 0.500000 0.332251 Mg\n0.500000 0.743699 0.918922 Mg\n0.500000 0.256301 0.918922 Mg\n0.000000 0.236434 0.579335 Mg\n0.000000 0.763566 0.579335 Mg\n0.000000 0.500000 0.841889 Mg\n0.000000 0.000000 0.832251 Mg\n0.500000 0.500000 0.160610 Cd\n0.500000 0.000000 0.660610 Cd\n",
"nsites": 16,
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"elements": [
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],
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"density": 2.7580236286696627,
"density_atomic": 0.038418223545284305,
"volume": 416.46902234145443,
"volume_molar": 15.675219216998896,
"formula_full": "Sr2 Mg12 Cd2",
"formula_reduced": "SrMg6Cd",
"formula_anonymous": "ABC6",
"energy": -24.13414497,
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"updated_at": "2021-11-28T01:35:24.739000Z",
"spacegroup": 38
},
{
"id": "mp-1101485",
"created_at": "2022-09-04T14:47:24.067517Z",
"structure_string": "Sb2 P10 O30\n1.0\n14.019261 0.000000 0.000000\n0.000000 5.222174 0.000000\n0.000000 1.638763 8.497405\nSb P O\n2 10 30\ndirect\n0.500000 0.500000 0.500000 Sb\n0.000000 0.500000 0.500000 Sb\n0.250000 0.460459 0.019315 P\n0.583601 0.368485 0.164685 P\n0.916399 0.368485 0.164685 P\n0.643641 0.018405 0.470487 P\n0.856359 0.018405 0.470487 P\n0.143641 0.981595 0.529513 P\n0.356359 0.981595 0.529513 P\n0.083601 0.631515 0.835315 P\n0.416399 0.631515 0.835315 P\n0.750000 0.539541 0.980685 P\n0.250000 0.740422 0.027899 O\n0.661213 0.580504 0.114636 O\n0.838787 0.580504 0.114636 O\n0.985888 0.489440 0.278406 O\n0.514112 0.489440 0.278406 O\n0.120088 0.273204 0.502743 O\n0.379912 0.273204 0.502743 O\n0.580390 0.170770 0.567120 O\n0.919610 0.170770 0.567120 O\n0.644430 0.142732 0.294905 O\n0.855570 0.142732 0.294905 O\n0.533261 0.234852 0.055550 O\n0.250000 0.231162 0.146748 O\n0.966739 0.234852 0.055550 O\n0.750000 0.040535 0.529218 O\n0.250000 0.959465 0.470782 O\n0.033261 0.765148 0.944450 O\n0.750000 0.768838 0.853252 O\n0.466739 0.765148 0.944450 O\n0.144430 0.857268 0.705095 O\n0.355570 0.857268 0.705095 O\n0.080390 0.829230 0.432880 O\n0.419610 0.829230 0.432880 O\n0.620088 0.726796 0.497257 O\n0.879912 0.726796 0.497257 O\n0.485888 0.510560 0.721594 O\n0.014112 0.510560 0.721594 O\n0.161213 0.419496 0.885364 O\n0.338787 0.419496 0.885364 O\n0.750000 0.259578 0.972101 O\n",
"nsites": 42,
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"elements": [
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"formula_full": "Sb2 P10 O30",
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},
{
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